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 2iuu_1_B DATA FIRST_RESID 315 DATA SEQUENCE LPPLSLLDPA EVKQKSYSPE SLEAMSRLLE IKLKEFGVEV SVDSVHPGPV DATA SEQUENCE ITRFEIQPAA GVKVSRISNL AKDLARSLAV ISVRVVEVIP GKTTVGIEIP DATA SEQUENCE NEDRQMVRFS EVLSSPEYDE HKSTVPLALG HDIGGRPIIT DLAKMPHLLV DATA SEQUENCE AGTTGSGKSV GVNAMLLSIL FKSTPSEARL IMIDPKMLEL SIYEGIPHLL DATA SEQUENCE CPVVTDMKEA ANALRWSVAE MERRYRLMAA MGVRNLAGFN RKVKDAEEAG DATA SEQUENCE TPLTDPLFRR ESPDDEPPQL STLPTIVVVV DEFADMMMIV GKKVEELIAR DATA SEQUENCE IAQKARAAGI HLILATQRPS VDVITGLIKA NIPTRIAFQV SSKIDSRTIL DATA SEQUENCE DQGGAEQLLG HGDMLYLPPG TGLPIRVHGA FVSDDEVHRV VEAWKLRGAP DATA SEQUENCE DYIEDILA 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 315 L HA 0.000 nan 4.340 nan 0.000 0.249 315 L C 0.000 176.725 176.870 -0.242 0.000 1.165 315 L CA 0.000 54.691 54.840 -0.248 0.000 0.813 315 L CB 0.000 42.068 42.059 0.015 0.000 0.961 316 P HA 0.086 nan 4.420 nan 0.000 0.263 316 P C -2.682 174.674 177.300 0.093 0.000 1.168 316 P CA -0.462 62.529 63.100 -0.180 0.000 0.759 316 P CB -0.459 31.060 31.700 -0.301 0.000 0.782 317 P HA 0.180 nan 4.420 nan 0.000 0.285 317 P C 0.954 178.219 177.300 -0.059 0.000 1.259 317 P CA -0.395 62.705 63.100 0.000 0.000 0.794 317 P CB 1.110 32.798 31.700 -0.021 0.000 0.940 318 L N 1.646 122.718 121.223 -0.253 0.000 2.642 318 L HA -0.117 4.222 4.340 -0.001 0.000 0.236 318 L C 1.952 178.691 176.870 -0.218 0.000 1.169 318 L CA 0.856 55.416 54.840 -0.467 0.000 0.851 318 L CB -0.814 40.988 42.059 -0.428 0.000 0.968 318 L HN 0.379 nan 8.230 nan 0.000 0.453 319 S N 0.031 115.671 115.700 -0.101 0.000 2.481 319 S HA -0.036 4.433 4.470 -0.001 0.000 0.231 319 S C 1.815 176.414 174.600 -0.002 0.000 0.996 319 S CA 0.718 58.891 58.200 -0.045 0.000 0.942 319 S CB -0.110 63.074 63.200 -0.027 0.000 0.768 319 S HN 0.394 nan 8.310 nan 0.000 0.520 320 L N 0.825 122.072 121.223 0.040 0.000 2.465 320 L HA 0.133 4.472 4.340 -0.001 0.000 0.224 320 L C 0.406 177.342 176.870 0.110 0.000 1.145 320 L CA 0.457 55.356 54.840 0.098 0.000 0.834 320 L CB -0.339 41.829 42.059 0.182 0.000 0.944 320 L HN 0.223 nan 8.230 nan 0.000 0.451 321 L N 0.002 121.268 121.223 0.072 0.000 2.350 321 L HA 0.179 4.519 4.340 -0.001 0.000 0.275 321 L C -0.092 176.810 176.870 0.054 0.000 1.099 321 L CA -0.794 54.094 54.840 0.080 0.000 0.808 321 L CB 0.579 42.647 42.059 0.016 0.000 1.149 321 L HN -0.001 nan 8.230 nan 0.000 0.442 322 D N 3.023 123.472 120.400 0.082 0.000 2.449 322 D HA 0.121 4.760 4.640 -0.001 0.000 0.236 322 D C -2.162 174.172 176.300 0.058 0.000 1.149 322 D CA -0.685 53.359 54.000 0.073 0.000 0.878 322 D CB 0.390 41.251 40.800 0.102 0.000 1.198 322 D HN 0.238 nan 8.370 nan 0.000 0.446 323 P HA 0.197 nan 4.420 nan 0.000 0.274 323 P C -0.926 176.401 177.300 0.045 0.000 1.237 323 P CA -0.490 62.629 63.100 0.032 0.000 0.793 323 P CB 0.566 32.279 31.700 0.023 0.000 0.977 324 A N 2.144 124.989 122.820 0.041 0.000 2.484 324 A HA 0.064 4.384 4.320 -0.001 0.000 0.268 324 A C 0.281 177.891 177.584 0.043 0.000 1.114 324 A CA -0.039 52.030 52.037 0.054 0.000 0.780 324 A CB -0.780 18.253 19.000 0.057 0.000 1.061 324 A HN 0.526 nan 8.150 nan 0.000 0.505 325 E N 1.511 121.737 120.200 0.044 0.000 2.418 325 E HA 0.193 4.542 4.350 -0.001 0.000 0.261 325 E C -0.201 176.414 176.600 0.025 0.000 1.070 325 E CA -0.531 55.886 56.400 0.028 0.000 0.931 325 E CB 0.548 30.260 29.700 0.019 0.000 0.954 325 E HN 0.442 nan 8.360 nan 0.000 0.439 326 V N 3.278 123.201 119.914 0.015 0.000 2.536 326 V HA -0.158 3.961 4.120 -0.001 0.000 0.287 326 V C 0.725 176.828 176.094 0.015 0.000 0.979 326 V CA 0.653 62.960 62.300 0.012 0.000 1.161 326 V CB -1.199 30.627 31.823 0.004 0.000 0.915 326 V HN 0.601 nan 8.190 nan 0.000 0.467 327 K N 4.366 124.780 120.400 0.023 0.000 2.081 327 K HA 0.093 4.413 4.320 -0.001 0.000 0.230 327 K C 0.335 176.946 176.600 0.019 0.000 1.199 327 K CA 0.124 56.429 56.287 0.030 0.000 1.130 327 K CB -0.086 32.438 32.500 0.041 0.000 1.386 327 K HN 0.691 nan 8.250 nan 0.000 0.280 328 Q N 3.828 123.632 119.800 0.006 0.000 2.815 328 Q HA -0.034 4.305 4.340 -0.001 0.000 0.235 328 Q C 0.083 176.071 176.000 -0.019 0.000 1.354 328 Q CA -0.334 55.462 55.803 -0.013 0.000 0.953 328 Q CB 0.318 29.041 28.738 -0.025 0.000 1.613 328 Q HN 0.602 nan 8.270 nan 0.000 0.572 329 K N 0.149 120.552 120.400 0.005 0.000 3.283 329 K HA 0.345 4.664 4.320 -0.001 0.000 0.249 329 K C -0.408 176.180 176.600 -0.020 0.000 1.008 329 K CA 0.556 56.869 56.287 0.043 0.000 1.687 329 K CB -0.833 31.736 32.500 0.115 0.000 2.788 329 K HN 0.515 nan 8.250 nan 0.000 0.849 330 S N -0.783 114.978 115.700 0.101 0.000 3.162 330 S HA -0.183 4.286 4.470 -0.001 0.000 0.840 330 S C -1.166 173.437 174.600 0.005 0.000 0.985 330 S CA 0.132 58.389 58.200 0.095 0.000 1.295 330 S CB -2.528 60.684 63.200 0.020 0.000 1.006 330 S HN 0.427 nan 8.310 nan 0.000 0.370 331 Y N 2.546 122.845 120.300 -0.001 0.000 2.388 331 Y HA 0.539 5.089 4.550 -0.001 0.000 0.328 331 Y C 1.075 176.975 175.900 0.001 0.000 0.963 331 Y CA -0.438 57.665 58.100 0.005 0.000 1.240 331 Y CB 1.560 40.026 38.460 0.010 0.000 1.118 331 Y HN 1.033 nan 8.280 nan 0.000 0.484 332 S N 3.268 119.017 115.700 0.082 0.000 2.599 332 S HA -0.058 4.411 4.470 -0.001 0.000 0.303 332 S C -1.870 172.772 174.600 0.070 0.000 1.267 332 S CA -0.834 57.399 58.200 0.056 0.000 1.055 332 S CB 0.769 63.985 63.200 0.028 0.000 0.790 332 S HN 0.483 nan 8.310 nan 0.000 0.500 333 P HA -0.200 nan 4.420 nan 0.000 0.218 333 P C 1.286 178.609 177.300 0.039 0.000 1.146 333 P CA 1.802 64.921 63.100 0.032 0.000 0.820 333 P CB -0.061 31.649 31.700 0.017 0.000 0.778 334 E N -1.550 118.675 120.200 0.042 0.000 2.076 334 E HA -0.054 4.295 4.350 -0.001 0.000 0.190 334 E C 1.864 178.502 176.600 0.063 0.000 0.979 334 E CA 0.885 57.311 56.400 0.043 0.000 0.807 334 E CB -0.939 28.780 29.700 0.032 0.000 0.761 334 E HN 0.075 nan 8.360 nan 0.000 0.454 335 S N 1.534 117.283 115.700 0.082 0.000 2.348 335 S HA -0.091 4.378 4.470 -0.001 0.000 0.221 335 S C 2.042 176.729 174.600 0.144 0.000 1.033 335 S CA 1.100 59.370 58.200 0.116 0.000 1.010 335 S CB -0.347 62.946 63.200 0.156 0.000 0.891 335 S HN 0.199 nan 8.310 nan 0.000 0.442 336 L N 1.297 122.605 121.223 0.141 0.000 2.079 336 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 336 L C 2.742 179.697 176.870 0.143 0.000 1.081 336 L CA 1.324 56.241 54.840 0.129 0.000 0.752 336 L CB -0.525 41.550 42.059 0.027 0.000 0.896 336 L HN 0.359 nan 8.230 nan 0.000 0.433 337 E N 0.192 120.448 120.200 0.093 0.000 2.150 337 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 337 E C 2.150 178.803 176.600 0.089 0.000 0.985 337 E CA 1.068 57.518 56.400 0.082 0.000 0.814 337 E CB 0.171 29.901 29.700 0.050 0.000 0.752 337 E HN 0.470 nan 8.360 nan 0.000 0.466 338 A N 1.120 123.992 122.820 0.086 0.000 1.841 338 A HA -0.200 4.119 4.320 -0.001 0.000 0.214 338 A C 2.141 179.768 177.584 0.072 0.000 1.195 338 A CA 1.725 53.803 52.037 0.068 0.000 0.611 338 A CB -0.609 18.428 19.000 0.063 0.000 0.835 338 A HN 0.285 nan 8.150 nan 0.000 0.443 339 M N 0.632 120.297 119.600 0.107 0.000 2.144 339 M HA -0.145 4.334 4.480 -0.001 0.000 0.260 339 M C 2.093 178.400 176.300 0.011 0.000 1.067 339 M CA 2.164 57.504 55.300 0.068 0.000 1.095 339 M CB -0.707 31.993 32.600 0.167 0.000 1.365 339 M HN 0.347 nan 8.290 nan 0.000 0.406 340 S N -0.268 115.529 115.700 0.161 0.000 2.368 340 S HA -0.131 4.338 4.470 -0.001 0.000 0.225 340 S C 1.901 176.526 174.600 0.042 0.000 1.030 340 S CA 1.347 59.639 58.200 0.152 0.000 0.999 340 S CB -0.284 63.045 63.200 0.215 0.000 0.844 340 S HN 0.422 nan 8.310 nan 0.000 0.459 341 R N 1.156 121.679 120.500 0.038 0.000 2.090 341 R HA 0.217 4.556 4.340 -0.001 0.000 0.228 341 R C 2.143 178.439 176.300 -0.007 0.000 1.110 341 R CA 0.604 56.714 56.100 0.017 0.000 0.973 341 R CB -1.011 29.302 30.300 0.021 0.000 0.869 341 R HN 0.348 nan 8.270 nan 0.000 0.440 342 L N -0.029 121.183 121.223 -0.018 0.000 1.989 342 L HA -0.198 4.142 4.340 -0.001 0.000 0.211 342 L C 2.158 178.995 176.870 -0.056 0.000 1.071 342 L CA 1.464 56.283 54.840 -0.035 0.000 0.749 342 L CB -0.406 41.630 42.059 -0.039 0.000 0.890 342 L HN 0.262 nan 8.230 nan 0.000 0.431 343 L N -0.127 121.032 121.223 -0.107 0.000 1.971 343 L HA -0.337 4.002 4.340 -0.001 0.000 0.215 343 L C 2.540 179.382 176.870 -0.048 0.000 1.072 343 L CA 1.895 56.658 54.840 -0.128 0.000 0.758 343 L CB -0.308 41.600 42.059 -0.252 0.000 0.889 343 L HN 0.374 nan 8.230 nan 0.000 0.433 344 E N -0.254 119.929 120.200 -0.027 0.000 2.070 344 E HA -0.289 4.060 4.350 -0.001 0.000 0.197 344 E C 2.140 178.739 176.600 -0.002 0.000 1.004 344 E CA 1.625 58.025 56.400 -0.000 0.000 0.805 344 E CB -0.094 29.612 29.700 0.010 0.000 0.744 344 E HN 0.428 nan 8.360 nan 0.000 0.451 345 I N 1.452 122.014 120.570 -0.013 0.000 2.127 345 I HA -0.272 3.897 4.170 -0.001 0.000 0.241 345 I C 2.169 178.263 176.117 -0.038 0.000 1.075 345 I CA 1.464 62.749 61.300 -0.025 0.000 1.334 345 I CB -1.061 36.921 38.000 -0.030 0.000 1.040 345 I HN 0.062 nan 8.210 nan 0.000 0.405 346 K N 0.757 121.141 120.400 -0.027 0.000 2.032 346 K HA -0.104 4.215 4.320 -0.001 0.000 0.209 346 K C 2.252 178.893 176.600 0.067 0.000 1.048 346 K CA 1.147 57.422 56.287 -0.019 0.000 0.927 346 K CB -0.850 31.677 32.500 0.045 0.000 0.712 346 K HN 0.343 nan 8.250 nan 0.000 0.441 347 L N 1.065 122.358 121.223 0.115 0.000 2.083 347 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 347 L C 2.625 179.571 176.870 0.126 0.000 1.083 347 L CA 1.076 56.025 54.840 0.182 0.000 0.752 347 L CB -0.311 41.807 42.059 0.098 0.000 0.899 347 L HN 0.121 nan 8.230 nan 0.000 0.433 348 K N 0.567 120.990 120.400 0.039 0.000 2.057 348 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 348 K C 1.867 178.444 176.600 -0.038 0.000 1.050 348 K CA 1.408 57.700 56.287 0.008 0.000 0.935 348 K CB -0.028 32.466 32.500 -0.009 0.000 0.715 348 K HN 0.402 nan 8.250 nan 0.000 0.439 349 E N -0.786 119.337 120.200 -0.128 0.000 2.160 349 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 349 E C 0.632 177.041 176.600 -0.319 0.000 0.991 349 E CA 0.814 57.056 56.400 -0.264 0.000 0.810 349 E CB -0.033 29.423 29.700 -0.408 0.000 0.742 349 E HN 0.128 nan 8.360 nan 0.000 0.466 350 F N -0.687 119.259 119.950 -0.007 0.000 2.251 350 F HA 0.249 4.775 4.527 -0.001 0.000 0.302 350 F C 2.015 177.813 175.800 -0.004 0.000 1.143 350 F CA -0.287 57.710 58.000 -0.006 0.000 1.104 350 F CB -0.060 38.936 39.000 -0.007 0.000 1.516 350 F HN -0.134 nan 8.300 nan 0.000 0.511 351 G N 0.100 109.040 108.800 0.233 0.000 2.514 351 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.217 351 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.217 351 G C 0.519 175.470 174.900 0.085 0.000 1.198 351 G CA 1.048 46.218 45.100 0.116 0.000 0.780 351 G HN 0.531 nan 8.290 nan 0.000 0.565 352 V N -0.899 119.069 119.914 0.091 0.000 2.740 352 V HA 0.448 4.567 4.120 -0.001 0.000 0.303 352 V C -0.200 175.926 176.094 0.054 0.000 1.054 352 V CA -0.733 61.605 62.300 0.062 0.000 1.106 352 V CB 1.549 33.404 31.823 0.054 0.000 0.957 352 V HN 0.344 nan 8.190 nan 0.000 0.486 353 E N 3.604 123.827 120.200 0.038 0.000 2.129 353 E HA 0.631 4.981 4.350 -0.001 0.000 0.268 353 E C -1.468 175.150 176.600 0.030 0.000 0.900 353 E CA -0.494 55.924 56.400 0.030 0.000 0.755 353 E CB 1.938 31.651 29.700 0.023 0.000 1.117 353 E HN 0.811 nan 8.360 nan 0.000 0.410 354 V N 2.959 122.892 119.914 0.031 0.000 3.206 354 V HA 0.634 4.753 4.120 -0.001 0.000 0.305 354 V C -1.519 174.595 176.094 0.033 0.000 1.257 354 V CA -0.345 61.975 62.300 0.033 0.000 1.057 354 V CB 2.580 34.425 31.823 0.037 0.000 1.075 354 V HN 0.772 nan 8.190 nan 0.000 0.443 355 S N 2.327 118.050 115.700 0.039 0.000 2.547 355 S HA 0.719 5.188 4.470 -0.001 0.000 0.281 355 S C -0.942 173.693 174.600 0.058 0.000 1.118 355 S CA -0.665 57.560 58.200 0.042 0.000 0.947 355 S CB 1.445 64.666 63.200 0.035 0.000 1.053 355 S HN 0.936 nan 8.310 nan 0.000 0.482 356 V N 2.856 122.814 119.914 0.073 0.000 2.599 356 V HA 0.094 4.214 4.120 -0.001 0.000 0.300 356 V C 1.045 177.184 176.094 0.075 0.000 1.034 356 V CA 0.633 62.997 62.300 0.106 0.000 1.115 356 V CB 0.779 32.694 31.823 0.154 0.000 0.934 356 V HN 1.143 nan 8.190 nan 0.000 0.485 357 D N 1.757 122.202 120.400 0.075 0.000 2.380 357 D HA 0.135 4.774 4.640 -0.001 0.000 0.212 357 D C 0.414 176.730 176.300 0.027 0.000 1.021 357 D CA 0.914 54.944 54.000 0.052 0.000 0.884 357 D CB 0.537 41.374 40.800 0.062 0.000 1.001 357 D HN 0.770 nan 8.370 nan 0.000 0.506 358 S N -1.390 114.316 115.700 0.010 0.000 2.586 358 S HA 0.483 4.952 4.470 -0.001 0.000 0.277 358 S C -1.403 173.036 174.600 -0.270 0.000 1.131 358 S CA -1.088 57.038 58.200 -0.123 0.000 0.848 358 S CB 1.502 64.648 63.200 -0.090 0.000 1.091 358 S HN -0.110 nan 8.310 nan 0.000 0.453 359 V N 2.545 122.145 119.914 -0.524 0.000 2.604 359 V HA 0.604 4.723 4.120 -0.001 0.000 0.305 359 V C -0.992 174.610 176.094 -0.819 0.000 1.043 359 V CA -0.511 61.398 62.300 -0.651 0.000 0.888 359 V CB 1.754 33.240 31.823 -0.562 0.000 0.995 359 V HN 1.019 nan 8.190 nan 0.000 0.429 360 H N 4.310 123.185 119.070 -0.325 0.000 2.854 360 H HA 0.314 4.869 4.556 -0.001 0.000 0.275 360 H C -2.716 172.480 175.328 -0.220 0.000 1.198 360 H CA -1.489 54.439 56.048 -0.201 0.000 1.489 360 H CB 1.913 31.602 29.762 -0.122 0.000 1.519 360 H HN 0.449 nan 8.280 nan 0.000 0.503 361 P HA 0.265 nan 4.420 nan 0.000 0.274 361 P C 0.343 177.593 177.300 -0.083 0.000 1.231 361 P CA -0.035 62.946 63.100 -0.197 0.000 0.790 361 P CB 2.044 33.584 31.700 -0.267 0.000 0.951 362 G N 0.876 109.629 108.800 -0.079 0.000 2.921 362 G HA2 0.496 4.456 3.960 -0.001 0.000 0.291 362 G HA3 0.496 4.456 3.960 -0.001 0.000 0.291 362 G C -2.431 172.467 174.900 -0.003 0.000 1.370 362 G CA -1.085 44.016 45.100 0.001 0.000 0.847 362 G HN 0.098 nan 8.290 nan 0.000 0.532 363 P HA 0.013 nan 4.420 nan 0.000 0.216 363 P C 1.558 178.812 177.300 -0.077 0.000 1.153 363 P CA 0.885 63.993 63.100 0.014 0.000 0.848 363 P CB 0.276 32.022 31.700 0.075 0.000 0.787 364 V N -0.972 118.781 119.914 -0.268 0.000 2.908 364 V HA 0.135 4.254 4.120 -0.001 0.000 0.240 364 V C 1.251 177.259 176.094 -0.142 0.000 1.117 364 V CA 0.615 62.727 62.300 -0.314 0.000 1.133 364 V CB -0.135 31.239 31.823 -0.748 0.000 0.857 364 V HN 0.021 nan 8.190 nan 0.000 0.478 365 I N -1.488 119.033 120.570 -0.081 0.000 3.322 365 I HA 0.657 4.826 4.170 -0.001 0.000 0.313 365 I C -1.018 175.103 176.117 0.006 0.000 1.129 365 I CA -0.425 60.889 61.300 0.023 0.000 0.963 365 I CB 1.789 39.857 38.000 0.114 0.000 1.273 365 I HN 0.008 nan 8.210 nan 0.000 0.473 366 T N 2.965 117.541 114.554 0.036 0.000 2.879 366 T HA 0.439 4.788 4.350 -0.001 0.000 0.290 366 T C -0.412 174.320 174.700 0.054 0.000 0.993 366 T CA -0.476 61.594 62.100 -0.049 0.000 0.975 366 T CB 1.484 70.253 68.868 -0.166 0.000 0.981 366 T HN 0.708 nan 8.240 nan 0.000 0.439 367 R N 2.788 123.283 120.500 -0.008 0.000 2.254 367 R HA 0.485 4.825 4.340 -0.001 0.000 0.318 367 R C -1.389 174.912 176.300 0.000 0.000 1.031 367 R CA -0.440 55.720 56.100 0.101 0.000 0.905 367 R CB 0.322 30.674 30.300 0.088 0.000 1.050 367 R HN 0.418 nan 8.270 nan 0.000 0.456 368 F N 3.203 123.206 119.950 0.087 0.000 2.347 368 F HA 0.277 4.803 4.527 -0.001 0.000 0.366 368 F C 0.100 175.952 175.800 0.087 0.000 1.107 368 F CA -0.674 57.370 58.000 0.074 0.000 1.058 368 F CB 1.582 40.603 39.000 0.036 0.000 1.236 368 F HN 0.420 nan 8.300 nan 0.000 0.456 369 E N 5.277 125.614 120.200 0.228 0.000 2.217 369 E HA 0.236 4.585 4.350 -0.001 0.000 0.279 369 E C -0.097 176.592 176.600 0.148 0.000 1.068 369 E CA -0.289 56.215 56.400 0.172 0.000 0.882 369 E CB 1.060 30.864 29.700 0.172 0.000 1.039 369 E HN 0.432 nan 8.360 nan 0.000 0.418 370 I N 0.244 120.888 120.570 0.123 0.000 2.648 370 I HA 0.413 4.583 4.170 -0.001 0.000 0.304 370 I C -0.657 175.501 176.117 0.068 0.000 1.009 370 I CA -1.185 60.173 61.300 0.097 0.000 1.114 370 I CB 1.680 39.732 38.000 0.087 0.000 1.293 370 I HN 0.347 nan 8.210 nan 0.000 0.449 371 Q N 5.929 125.763 119.800 0.056 0.000 2.394 371 Q HA 0.585 4.925 4.340 -0.001 0.000 0.259 371 Q C -2.688 173.334 176.000 0.037 0.000 1.021 371 Q CA -1.938 53.891 55.803 0.043 0.000 0.805 371 Q CB 1.398 30.159 28.738 0.039 0.000 1.226 371 Q HN 0.448 nan 8.270 nan 0.000 0.476 372 P HA 0.121 nan 4.420 nan 0.000 0.268 372 P C -0.927 176.387 177.300 0.025 0.000 1.205 372 P CA 0.040 63.157 63.100 0.028 0.000 0.771 372 P CB 0.837 32.552 31.700 0.025 0.000 0.858 373 A N 3.188 126.022 122.820 0.023 0.000 2.387 373 A HA 0.464 4.784 4.320 -0.001 0.000 0.251 373 A C 0.436 178.030 177.584 0.018 0.000 1.113 373 A CA 0.082 52.132 52.037 0.020 0.000 0.794 373 A CB -0.553 18.459 19.000 0.020 0.000 1.069 373 A HN 0.592 nan 8.150 nan 0.000 0.506 374 A N -0.878 121.951 122.820 0.015 0.000 2.520 374 A HA 0.476 4.795 4.320 -0.001 0.000 0.245 374 A C 1.644 179.236 177.584 0.013 0.000 1.072 374 A CA 0.822 52.867 52.037 0.013 0.000 0.761 374 A CB -0.986 18.021 19.000 0.012 0.000 1.004 374 A HN 2.735 nan 8.150 nan 0.000 0.499 375 G N 0.638 109.445 108.800 0.012 0.000 2.245 375 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.264 375 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.264 375 G C 0.667 175.575 174.900 0.012 0.000 0.985 375 G CA 0.699 45.806 45.100 0.011 0.000 0.625 375 G HN 2.315 nan 8.290 nan 0.000 0.536 376 V N 0.921 120.844 119.914 0.015 0.000 2.530 376 V HA 0.635 4.754 4.120 -0.001 0.000 0.282 376 V C 0.421 176.523 176.094 0.013 0.000 1.048 376 V CA -0.465 61.844 62.300 0.016 0.000 0.997 376 V CB 0.883 32.718 31.823 0.020 0.000 0.987 376 V HN 0.298 nan 8.190 nan 0.000 0.477 377 K N 4.592 124.999 120.400 0.011 0.000 2.172 377 K HA 0.392 4.711 4.320 -0.001 0.000 0.276 377 K C 1.050 177.655 176.600 0.007 0.000 1.013 377 K CA -0.467 55.825 56.287 0.008 0.000 0.913 377 K CB 1.870 34.374 32.500 0.006 0.000 1.055 377 K HN 0.616 nan 8.250 nan 0.000 0.461 378 V N 1.262 121.180 119.914 0.007 0.000 2.370 378 V HA -0.345 3.774 4.120 -0.001 0.000 0.252 378 V C 2.417 178.511 176.094 0.000 0.000 1.068 378 V CA 2.358 64.662 62.300 0.006 0.000 1.061 378 V CB -1.086 30.741 31.823 0.006 0.000 0.656 378 V HN 0.998 nan 8.190 nan 0.000 0.455 379 S N 1.256 116.955 115.700 -0.002 0.000 2.380 379 S HA -0.340 4.129 4.470 -0.001 0.000 0.229 379 S C 2.049 176.641 174.600 -0.013 0.000 1.043 379 S CA 2.007 60.202 58.200 -0.007 0.000 1.038 379 S CB -0.641 62.555 63.200 -0.006 0.000 0.872 379 S HN 0.639 nan 8.310 nan 0.000 0.456 380 R N 0.595 121.090 120.500 -0.008 0.000 2.103 380 R HA -0.033 4.307 4.340 -0.001 0.000 0.242 380 R C 2.326 178.613 176.300 -0.022 0.000 1.142 380 R CA 1.704 57.797 56.100 -0.011 0.000 0.960 380 R CB -0.645 29.656 30.300 0.003 0.000 0.858 380 R HN 0.419 nan 8.270 nan 0.000 0.439 381 I N 0.755 121.318 120.570 -0.012 0.000 2.113 381 I HA -0.220 3.949 4.170 -0.001 0.000 0.238 381 I C 2.254 178.351 176.117 -0.034 0.000 1.070 381 I CA 1.448 62.738 61.300 -0.016 0.000 1.332 381 I CB -1.358 36.643 38.000 0.001 0.000 1.044 381 I HN 0.068 nan 8.210 nan 0.000 0.402 382 S N 1.057 116.743 115.700 -0.024 0.000 2.365 382 S HA -0.234 4.235 4.470 -0.001 0.000 0.225 382 S C 1.723 176.296 174.600 -0.046 0.000 1.039 382 S CA 1.809 59.992 58.200 -0.027 0.000 1.033 382 S CB -0.753 62.436 63.200 -0.017 0.000 0.887 382 S HN 0.507 nan 8.310 nan 0.000 0.447 383 N N 1.270 119.940 118.700 -0.050 0.000 2.272 383 N HA -0.070 4.669 4.740 -0.001 0.000 0.185 383 N C 0.876 176.321 175.510 -0.108 0.000 1.014 383 N CA 0.886 53.897 53.050 -0.065 0.000 0.870 383 N CB -0.238 38.217 38.487 -0.054 0.000 0.975 383 N HN 0.465 nan 8.380 nan 0.000 0.433 384 L N -3.060 118.075 121.223 -0.147 0.000 3.100 384 L HA 0.633 4.972 4.340 -0.001 0.000 0.259 384 L C 0.890 177.625 176.870 -0.225 0.000 1.316 384 L CA -0.400 54.287 54.840 -0.255 0.000 0.992 384 L CB 0.339 42.126 42.059 -0.452 0.000 1.390 384 L HN -0.157 nan 8.230 nan 0.000 0.550 385 A N 0.634 123.377 122.820 -0.129 0.000 1.970 385 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 385 A C 2.290 179.825 177.584 -0.080 0.000 1.170 385 A CA 1.080 53.066 52.037 -0.084 0.000 0.645 385 A CB -0.025 18.947 19.000 -0.047 0.000 0.816 385 A HN 0.444 nan 8.150 nan 0.000 0.447 386 K N 0.513 120.858 120.400 -0.091 0.000 2.025 386 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 386 K C 1.499 178.052 176.600 -0.080 0.000 1.049 386 K CA 1.780 58.027 56.287 -0.068 0.000 0.933 386 K CB -0.216 32.248 32.500 -0.061 0.000 0.714 386 K HN 0.452 nan 8.250 nan 0.000 0.438 387 D N -0.074 120.230 120.400 -0.160 0.000 2.123 387 D HA -0.135 4.504 4.640 -0.001 0.000 0.200 387 D C 1.820 178.072 176.300 -0.080 0.000 0.976 387 D CA 0.765 54.667 54.000 -0.164 0.000 0.831 387 D CB -0.061 40.489 40.800 -0.418 0.000 0.974 387 D HN 0.061 nan 8.370 nan 0.000 0.469 388 L N 1.503 122.631 121.223 -0.157 0.000 2.042 388 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 388 L C 2.228 179.119 176.870 0.035 0.000 1.076 388 L CA 1.715 56.561 54.840 0.010 0.000 0.749 388 L CB -0.774 41.263 42.059 -0.037 0.000 0.893 388 L HN -0.071 nan 8.230 nan 0.000 0.432 389 A N -0.387 122.431 122.820 -0.003 0.000 1.883 389 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 389 A C 2.568 180.168 177.584 0.027 0.000 1.186 389 A CA 1.959 54.001 52.037 0.009 0.000 0.624 389 A CB -0.683 18.318 19.000 0.001 0.000 0.822 389 A HN 0.528 nan 8.150 nan 0.000 0.444 390 R N 0.232 120.753 120.500 0.035 0.000 2.075 390 R HA -0.131 4.208 4.340 -0.001 0.000 0.232 390 R C 2.446 178.785 176.300 0.066 0.000 1.126 390 R CA 1.952 58.080 56.100 0.048 0.000 0.963 390 R CB -0.328 30.003 30.300 0.052 0.000 0.858 390 R HN 0.646 nan 8.270 nan 0.000 0.435 391 S N 0.137 115.903 115.700 0.109 0.000 2.442 391 S HA -0.084 4.385 4.470 -0.001 0.000 0.236 391 S C 1.762 176.395 174.600 0.054 0.000 1.007 391 S CA 0.883 59.145 58.200 0.103 0.000 0.965 391 S CB -0.168 63.142 63.200 0.183 0.000 0.773 391 S HN 0.392 nan 8.310 nan 0.000 0.504 392 L N 0.601 121.851 121.223 0.044 0.000 2.607 392 L HA 0.414 4.753 4.340 -0.001 0.000 0.228 392 L C 1.536 178.418 176.870 0.020 0.000 1.123 392 L CA 0.258 55.108 54.840 0.017 0.000 0.890 392 L CB -0.492 41.563 42.059 -0.005 0.000 1.103 392 L HN 0.463 nan 8.230 nan 0.000 0.468 393 A N 0.365 123.201 122.820 0.027 0.000 2.860 393 A HA -0.167 4.153 4.320 -0.001 0.000 0.267 393 A C 0.426 178.027 177.584 0.027 0.000 1.421 393 A CA 0.904 52.956 52.037 0.026 0.000 0.831 393 A CB -2.494 16.521 19.000 0.024 0.000 1.041 393 A HN 0.321 nan 8.150 nan 0.000 0.623 394 V N -3.167 116.762 119.914 0.026 0.000 2.769 394 V HA 0.735 4.854 4.120 -0.001 0.000 0.312 394 V C 1.405 177.516 176.094 0.028 0.000 1.058 394 V CA -0.266 62.051 62.300 0.030 0.000 0.952 394 V CB 1.657 33.498 31.823 0.030 0.000 1.019 394 V HN 0.671 nan 8.190 nan 0.000 0.445 395 I N 1.977 122.566 120.570 0.031 0.000 2.361 395 I HA -0.038 4.131 4.170 -0.001 0.000 0.251 395 I C 0.956 177.087 176.117 0.023 0.000 1.133 395 I CA 1.841 63.157 61.300 0.027 0.000 1.413 395 I CB 0.223 38.240 38.000 0.030 0.000 1.073 395 I HN 1.114 nan 8.210 nan 0.000 0.424 396 S N -1.894 113.823 115.700 0.027 0.000 2.627 396 S HA 0.517 4.986 4.470 -0.001 0.000 0.268 396 S C -1.031 173.585 174.600 0.028 0.000 1.130 396 S CA -0.848 57.366 58.200 0.023 0.000 0.819 396 S CB 1.953 65.169 63.200 0.026 0.000 1.100 396 S HN -0.077 nan 8.310 nan 0.000 0.465 397 V N 0.620 120.547 119.914 0.021 0.000 2.971 397 V HA 0.768 4.887 4.120 -0.001 0.000 0.309 397 V C -1.054 175.057 176.094 0.029 0.000 1.130 397 V CA -0.762 61.554 62.300 0.027 0.000 0.964 397 V CB 2.132 33.960 31.823 0.008 0.000 1.029 397 V HN 1.084 nan 8.190 nan 0.000 0.427 398 R N 4.332 124.859 120.500 0.045 0.000 2.310 398 R HA 0.697 5.036 4.340 -0.001 0.000 0.324 398 R C -1.700 174.624 176.300 0.040 0.000 0.955 398 R CA -0.413 55.712 56.100 0.042 0.000 0.830 398 R CB 1.702 32.035 30.300 0.055 0.000 1.154 398 R HN 0.542 nan 8.270 nan 0.000 0.458 399 V N 5.927 125.855 119.914 0.024 0.000 2.368 399 V HA 0.173 4.292 4.120 -0.001 0.000 0.266 399 V C -0.060 176.047 176.094 0.021 0.000 1.045 399 V CA -0.611 61.703 62.300 0.023 0.000 0.899 399 V CB 1.419 33.247 31.823 0.009 0.000 1.006 399 V HN 0.529 nan 8.190 nan 0.000 0.470 400 V N 5.538 125.469 119.914 0.028 0.000 2.322 400 V HA 0.171 4.291 4.120 -0.001 0.000 0.258 400 V C 1.347 177.451 176.094 0.016 0.000 1.074 400 V CA -0.093 62.218 62.300 0.019 0.000 0.909 400 V CB 0.503 32.338 31.823 0.020 0.000 1.090 400 V HN 0.944 nan 8.190 nan 0.000 0.486 401 E N 2.697 122.903 120.200 0.010 0.000 2.331 401 E HA -0.108 4.241 4.350 -0.001 0.000 0.199 401 E C 0.505 177.110 176.600 0.008 0.000 1.008 401 E CA 0.903 57.308 56.400 0.008 0.000 0.843 401 E CB 0.494 30.196 29.700 0.003 0.000 0.761 401 E HN 0.496 nan 8.360 nan 0.000 0.507 402 V N 0.764 120.681 119.914 0.005 0.000 2.711 402 V HA 0.345 4.464 4.120 -0.001 0.000 0.304 402 V C -1.625 174.468 176.094 -0.001 0.000 1.097 402 V CA -0.697 61.605 62.300 0.003 0.000 0.906 402 V CB 1.624 33.447 31.823 -0.001 0.000 1.015 402 V HN -0.044 nan 8.190 nan 0.000 0.427 403 I N 8.007 128.578 120.570 0.000 0.000 2.390 403 I HA 0.416 4.586 4.170 -0.001 0.000 0.283 403 I C -2.300 173.813 176.117 -0.007 0.000 1.016 403 I CA -2.000 59.296 61.300 -0.007 0.000 1.151 403 I CB 2.015 40.012 38.000 -0.005 0.000 1.293 403 I HN 0.486 nan 8.210 nan 0.000 0.458 404 P HA -0.089 nan 4.420 nan 0.000 0.259 404 P C 1.028 178.325 177.300 -0.005 0.000 1.155 404 P CA 1.237 64.333 63.100 -0.008 0.000 0.759 404 P CB 0.448 32.141 31.700 -0.011 0.000 0.753 405 G N 2.724 111.523 108.800 -0.001 0.000 2.458 405 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.237 405 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.237 405 G C 0.187 175.090 174.900 0.006 0.000 1.113 405 G CA 0.235 45.336 45.100 0.002 0.000 0.655 405 G HN 0.564 nan 8.290 nan 0.000 0.513 406 K N 0.407 120.811 120.400 0.007 0.000 2.109 406 K HA 0.559 4.878 4.320 -0.001 0.000 0.243 406 K C 1.408 178.016 176.600 0.014 0.000 1.006 406 K CA 0.213 56.508 56.287 0.013 0.000 0.917 406 K CB 0.893 33.403 32.500 0.018 0.000 1.081 406 K HN 0.276 nan 8.250 nan 0.000 0.468 407 T N -3.177 111.388 114.554 0.018 0.000 3.105 407 T HA 0.013 4.362 4.350 -0.001 0.000 0.253 407 T C 0.654 175.368 174.700 0.023 0.000 1.047 407 T CA -0.458 61.653 62.100 0.018 0.000 0.944 407 T CB -0.406 68.473 68.868 0.017 0.000 1.016 407 T HN 0.653 nan 8.240 nan 0.000 0.544 408 T N -0.038 114.533 114.554 0.028 0.000 2.902 408 T HA 0.698 5.047 4.350 -0.001 0.000 0.280 408 T C -0.023 174.698 174.700 0.035 0.000 0.992 408 T CA -0.682 61.440 62.100 0.037 0.000 1.015 408 T CB 1.527 70.425 68.868 0.051 0.000 1.044 408 T HN 0.046 nan 8.240 nan 0.000 0.520 409 V N 0.086 120.026 119.914 0.043 0.000 3.019 409 V HA 0.833 4.952 4.120 -0.001 0.000 0.317 409 V C 0.733 176.863 176.094 0.059 0.000 1.094 409 V CA -0.715 61.609 62.300 0.041 0.000 1.000 409 V CB 2.030 33.875 31.823 0.036 0.000 1.060 409 V HN 1.294 nan 8.190 nan 0.000 0.443 410 G N 1.402 110.236 108.800 0.057 0.000 2.482 410 G HA2 0.778 4.737 3.960 -0.001 0.000 0.317 410 G HA3 0.778 4.737 3.960 -0.001 0.000 0.317 410 G C -1.347 173.609 174.900 0.093 0.000 1.241 410 G CA -0.515 44.635 45.100 0.084 0.000 0.967 410 G HN 0.541 nan 8.290 nan 0.000 0.482 411 I N 1.131 121.787 120.570 0.144 0.000 2.468 411 I HA 0.246 4.415 4.170 -0.001 0.000 0.285 411 I C -0.653 175.587 176.117 0.205 0.000 1.039 411 I CA -0.532 60.847 61.300 0.131 0.000 1.074 411 I CB 2.347 40.398 38.000 0.085 0.000 1.228 411 I HN 0.436 nan 8.210 nan 0.000 0.436 412 E N 7.349 127.639 120.200 0.150 0.000 2.055 412 E HA 0.480 4.829 4.350 -0.001 0.000 0.274 412 E C -0.759 175.928 176.600 0.145 0.000 0.949 412 E CA -0.376 56.125 56.400 0.168 0.000 0.775 412 E CB 1.687 31.464 29.700 0.127 0.000 1.097 412 E HN 0.458 nan 8.360 nan 0.000 0.404 413 I N 4.495 125.179 120.570 0.189 0.000 2.359 413 I HA 0.271 4.440 4.170 -0.001 0.000 0.294 413 I C -2.230 173.957 176.117 0.117 0.000 0.987 413 I CA -2.695 58.678 61.300 0.123 0.000 1.225 413 I CB 1.260 39.310 38.000 0.084 0.000 1.366 413 I HN 0.159 nan 8.210 nan 0.000 0.466 414 P HA 0.080 nan 4.420 nan 0.000 0.267 414 P C -0.929 176.413 177.300 0.071 0.000 1.205 414 P CA -0.026 63.116 63.100 0.070 0.000 0.765 414 P CB 0.226 31.964 31.700 0.064 0.000 0.828 415 N N 1.680 120.415 118.700 0.058 0.000 2.482 415 N HA -0.006 4.733 4.740 -0.001 0.000 0.260 415 N C 1.149 176.735 175.510 0.127 0.000 1.236 415 N CA -0.280 52.827 53.050 0.095 0.000 0.938 415 N CB 0.578 39.122 38.487 0.095 0.000 1.128 415 N HN 0.466 nan 8.380 nan 0.000 0.448 416 E N 0.419 120.723 120.200 0.173 0.000 2.077 416 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 416 E C -0.485 176.172 176.600 0.094 0.000 0.989 416 E CA 0.962 57.433 56.400 0.120 0.000 0.800 416 E CB 0.142 29.911 29.700 0.115 0.000 0.746 416 E HN 0.534 nan 8.360 nan 0.000 0.452 417 D N 0.767 121.240 120.400 0.121 0.000 2.461 417 D HA 0.097 4.736 4.640 -0.001 0.000 0.240 417 D C -0.524 175.829 176.300 0.087 0.000 1.094 417 D CA -0.206 53.838 54.000 0.075 0.000 0.868 417 D CB 0.994 41.817 40.800 0.039 0.000 1.062 417 D HN -0.014 nan 8.370 nan 0.000 0.530 418 R N 2.697 123.225 120.500 0.047 0.000 2.316 418 R HA 0.063 4.402 4.340 -0.001 0.000 0.314 418 R C 0.060 176.367 176.300 0.012 0.000 1.069 418 R CA -0.311 55.803 56.100 0.024 0.000 0.959 418 R CB 0.641 30.944 30.300 0.004 0.000 0.987 418 R HN 0.427 nan 8.270 nan 0.000 0.446 419 Q N 5.010 124.826 119.800 0.026 0.000 2.243 419 Q HA 0.206 4.545 4.340 -0.001 0.000 0.252 419 Q C -0.341 175.670 176.000 0.018 0.000 0.909 419 Q CA -0.571 55.247 55.803 0.025 0.000 0.922 419 Q CB 1.657 30.427 28.738 0.053 0.000 1.215 419 Q HN 0.628 nan 8.270 nan 0.000 0.427 420 M N 2.850 122.452 119.600 0.004 0.000 2.226 420 M HA 0.255 4.734 4.480 -0.001 0.000 0.324 420 M C -1.245 175.099 176.300 0.073 0.000 1.112 420 M CA -0.392 54.913 55.300 0.009 0.000 1.176 420 M CB 0.939 33.509 32.600 -0.049 0.000 1.430 420 M HN 0.637 nan 8.290 nan 0.000 0.462 421 V N 5.276 125.249 119.914 0.098 0.000 2.350 421 V HA 0.456 4.575 4.120 -0.001 0.000 0.285 421 V C -0.278 175.890 176.094 0.124 0.000 1.014 421 V CA -0.921 61.440 62.300 0.101 0.000 0.831 421 V CB 1.162 33.014 31.823 0.048 0.000 1.000 421 V HN 0.784 nan 8.190 nan 0.000 0.433 422 R N 2.730 123.306 120.500 0.126 0.000 2.410 422 R HA 0.339 4.678 4.340 -0.001 0.000 0.288 422 R C 1.043 177.447 176.300 0.172 0.000 1.051 422 R CA -0.702 55.503 56.100 0.174 0.000 1.021 422 R CB 0.527 30.915 30.300 0.145 0.000 1.032 422 R HN 0.746 nan 8.270 nan 0.000 0.481 423 F N 1.714 121.662 119.950 -0.003 0.000 2.091 423 F HA -0.348 4.178 4.527 -0.001 0.000 0.299 423 F C 2.216 177.970 175.800 -0.078 0.000 1.103 423 F CA 1.892 59.859 58.000 -0.056 0.000 1.228 423 F CB 0.184 39.160 39.000 -0.040 0.000 0.984 423 F HN 0.628 nan 8.300 nan 0.000 0.477 424 S N -0.441 115.236 115.700 -0.038 0.000 2.402 424 S HA -0.336 4.133 4.470 -0.001 0.000 0.233 424 S C 1.717 176.240 174.600 -0.129 0.000 1.030 424 S CA 1.643 59.738 58.200 -0.175 0.000 1.003 424 S CB -0.810 62.345 63.200 -0.075 0.000 0.813 424 S HN 0.670 nan 8.310 nan 0.000 0.477 425 E N 0.300 120.484 120.200 -0.026 0.000 2.338 425 E HA -0.043 4.306 4.350 -0.001 0.000 0.197 425 E C 1.412 178.046 176.600 0.056 0.000 1.007 425 E CA 0.832 57.260 56.400 0.046 0.000 0.849 425 E CB 0.050 29.820 29.700 0.116 0.000 0.774 425 E HN 0.548 nan 8.360 nan 0.000 0.506 426 V N 0.198 120.072 119.914 -0.066 0.000 2.690 426 V HA -0.078 4.041 4.120 -0.001 0.000 0.240 426 V C 2.056 178.051 176.094 -0.165 0.000 1.078 426 V CA 0.552 62.812 62.300 -0.067 0.000 1.102 426 V CB -0.128 31.646 31.823 -0.082 0.000 0.800 426 V HN 0.278 nan 8.190 nan 0.000 0.479 427 L N 1.431 122.389 121.223 -0.442 0.000 2.362 427 L HA -0.091 4.249 4.340 -0.001 0.000 0.219 427 L C 2.492 179.276 176.870 -0.144 0.000 1.134 427 L CA 1.467 55.956 54.840 -0.585 0.000 0.807 427 L CB -0.623 40.840 42.059 -0.994 0.000 0.927 427 L HN 0.543 nan 8.230 nan 0.000 0.447 428 S N -1.170 114.462 115.700 -0.112 0.000 2.481 428 S HA -0.053 4.416 4.470 -0.001 0.000 0.231 428 S C 1.208 175.829 174.600 0.034 0.000 0.996 428 S CA 0.140 58.321 58.200 -0.032 0.000 0.942 428 S CB -0.490 62.688 63.200 -0.036 0.000 0.768 428 S HN 0.477 nan 8.310 nan 0.000 0.520 429 S N 2.742 118.482 115.700 0.066 0.000 2.576 429 S HA 0.208 4.677 4.470 -0.001 0.000 0.272 429 S C -1.200 173.460 174.600 0.099 0.000 1.352 429 S CA -0.805 57.449 58.200 0.089 0.000 1.021 429 S CB 0.454 63.724 63.200 0.117 0.000 0.887 429 S HN 0.232 nan 8.310 nan 0.000 0.542 430 P HA -0.019 nan 4.420 nan 0.000 0.222 430 P C 0.774 178.112 177.300 0.064 0.000 1.153 430 P CA 0.963 64.094 63.100 0.051 0.000 0.798 430 P CB 0.017 31.735 31.700 0.031 0.000 0.796 431 E N -0.491 119.767 120.200 0.096 0.000 2.077 431 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 431 E C 2.106 178.819 176.600 0.189 0.000 0.989 431 E CA 1.216 57.689 56.400 0.121 0.000 0.800 431 E CB -1.214 28.570 29.700 0.140 0.000 0.746 431 E HN 0.327 nan 8.360 nan 0.000 0.452 432 Y N 1.420 121.774 120.300 0.089 0.000 2.286 432 Y HA -0.128 4.422 4.550 -0.001 0.000 0.293 432 Y C 1.919 177.865 175.900 0.078 0.000 1.124 432 Y CA 1.545 59.695 58.100 0.083 0.000 1.178 432 Y CB -0.030 38.434 38.460 0.007 0.000 1.010 432 Y HN 0.043 nan 8.280 nan 0.000 0.536 433 D N 0.334 120.714 120.400 -0.033 0.000 2.097 433 D HA -0.204 4.435 4.640 -0.001 0.000 0.195 433 D C 1.019 177.249 176.300 -0.116 0.000 0.989 433 D CA 1.740 55.676 54.000 -0.107 0.000 0.827 433 D CB -0.006 40.793 40.800 -0.002 0.000 0.966 433 D HN 0.637 nan 8.370 nan 0.000 0.456 434 E N -0.471 119.696 120.200 -0.054 0.000 2.489 434 E HA -0.032 4.318 4.350 -0.001 0.000 0.193 434 E C 0.575 177.139 176.600 -0.060 0.000 1.057 434 E CA -0.253 56.116 56.400 -0.052 0.000 0.866 434 E CB 0.091 29.767 29.700 -0.039 0.000 0.916 434 E HN 0.323 nan 8.360 nan 0.000 0.500 435 H N 1.832 120.820 119.070 -0.137 0.000 2.964 435 H HA 0.022 4.577 4.556 -0.001 0.000 0.328 435 H C 0.821 176.090 175.328 -0.099 0.000 1.030 435 H CA 0.933 56.915 56.048 -0.110 0.000 1.445 435 H CB 0.936 30.617 29.762 -0.135 0.000 1.449 435 H HN -0.007 nan 8.280 nan 0.000 0.581 436 K N 2.812 123.193 120.400 -0.032 0.000 2.426 436 K HA -0.003 4.316 4.320 -0.001 0.000 0.193 436 K C 0.636 177.305 176.600 0.115 0.000 1.028 436 K CA -0.052 56.249 56.287 0.025 0.000 1.047 436 K CB 0.333 32.807 32.500 -0.044 0.000 0.821 436 K HN 0.343 nan 8.250 nan 0.000 0.513 437 S N -0.031 115.853 115.700 0.306 0.000 2.592 437 S HA 0.005 4.474 4.470 -0.001 0.000 0.271 437 S C 1.223 175.868 174.600 0.075 0.000 1.326 437 S CA -0.083 58.221 58.200 0.174 0.000 1.024 437 S CB 1.299 64.613 63.200 0.189 0.000 0.921 437 S HN 0.399 nan 8.310 nan 0.000 0.527 438 T N 0.259 114.835 114.554 0.036 0.000 3.067 438 T HA 0.054 4.403 4.350 -0.001 0.000 0.261 438 T C 0.697 175.402 174.700 0.008 0.000 1.110 438 T CA 0.749 62.869 62.100 0.033 0.000 1.113 438 T CB -0.503 68.387 68.868 0.038 0.000 0.917 438 T HN 0.891 nan 8.240 nan 0.000 0.499 439 V N -0.517 119.373 119.914 -0.040 0.000 2.468 439 V HA 0.513 4.632 4.120 -0.001 0.000 0.256 439 V C -3.079 172.951 176.094 -0.106 0.000 0.998 439 V CA -2.694 59.564 62.300 -0.069 0.000 1.114 439 V CB 0.506 32.252 31.823 -0.128 0.000 1.378 439 V HN 0.106 nan 8.190 nan 0.000 0.573 440 P HA 0.484 nan 4.420 nan 0.000 0.277 440 P C -0.780 176.488 177.300 -0.053 0.000 1.240 440 P CA -0.296 62.648 63.100 -0.260 0.000 0.798 440 P CB 2.250 33.681 31.700 -0.448 0.000 0.979 441 L N 1.712 122.893 121.223 -0.070 0.000 2.377 441 L HA 0.494 4.833 4.340 -0.001 0.000 0.270 441 L C 0.314 177.181 176.870 -0.005 0.000 0.991 441 L CA -0.956 53.875 54.840 -0.015 0.000 0.851 441 L CB 1.732 43.758 42.059 -0.055 0.000 1.218 441 L HN 0.353 nan 8.230 nan 0.000 0.420 442 A N 4.325 127.180 122.820 0.058 0.000 2.343 442 A HA 0.458 4.777 4.320 -0.001 0.000 0.305 442 A C 0.953 178.573 177.584 0.061 0.000 1.308 442 A CA -0.349 51.722 52.037 0.057 0.000 0.949 442 A CB 0.250 19.255 19.000 0.008 0.000 1.148 442 A HN 0.870 nan 8.150 nan 0.000 0.545 443 L N 2.459 123.671 121.223 -0.018 0.000 2.095 443 L HA 0.267 4.606 4.340 -0.001 0.000 0.204 443 L C 1.570 178.448 176.870 0.013 0.000 1.080 443 L CA 1.149 55.967 54.840 -0.037 0.000 0.759 443 L CB -0.481 41.487 42.059 -0.152 0.000 0.914 443 L HN 0.868 nan 8.230 nan 0.000 0.439 444 G N -2.236 106.571 108.800 0.012 0.000 2.439 444 G HA2 0.068 4.027 3.960 -0.001 0.000 0.186 444 G HA3 0.068 4.027 3.960 -0.001 0.000 0.186 444 G C -1.508 173.404 174.900 0.020 0.000 1.260 444 G CA -0.758 44.327 45.100 -0.024 0.000 1.020 444 G HN -0.012 nan 8.290 nan 0.000 0.470 445 H N 1.360 120.501 119.070 0.119 0.000 2.529 445 H HA 0.582 5.137 4.556 -0.001 0.000 0.348 445 H C -0.292 175.081 175.328 0.074 0.000 1.152 445 H CA -0.158 55.956 56.048 0.111 0.000 1.202 445 H CB 1.577 31.431 29.762 0.153 0.000 1.562 445 H HN 0.780 nan 8.280 nan 0.000 0.515 446 D N 0.410 120.915 120.400 0.174 0.000 2.414 446 D HA -0.017 4.622 4.640 -0.001 0.000 0.251 446 D C 1.515 177.871 176.300 0.093 0.000 1.252 446 D CA -0.589 53.441 54.000 0.048 0.000 0.999 446 D CB 0.656 41.478 40.800 0.038 0.000 1.093 446 D HN 0.476 nan 8.370 nan 0.000 0.515 447 I N -3.697 116.893 120.570 0.033 0.000 2.800 447 I HA 0.110 4.279 4.170 -0.001 0.000 0.266 447 I C 1.580 177.791 176.117 0.158 0.000 1.249 447 I CA 1.408 62.821 61.300 0.189 0.000 1.458 447 I CB -0.822 37.251 38.000 0.123 0.000 1.093 447 I HN 0.419 nan 8.210 nan 0.000 0.466 448 G N -0.412 108.441 108.800 0.088 0.000 3.277 448 G HA2 0.430 4.389 3.960 -0.001 0.000 0.243 448 G HA3 0.430 4.389 3.960 -0.001 0.000 0.243 448 G C 1.240 176.152 174.900 0.020 0.000 1.107 448 G CA 0.151 45.280 45.100 0.047 0.000 0.771 448 G HN 0.858 nan 8.290 nan 0.000 0.544 449 G N 0.125 108.947 108.800 0.038 0.000 2.195 449 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.246 449 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.246 449 G C 0.552 175.231 174.900 -0.369 0.000 0.984 449 G CA -0.031 44.996 45.100 -0.122 0.000 0.633 449 G HN 0.650 nan 8.290 nan 0.000 0.525 450 R N 1.728 122.148 120.500 -0.133 0.000 2.490 450 R HA 0.466 4.805 4.340 -0.001 0.000 0.280 450 R C -2.249 174.096 176.300 0.074 0.000 1.077 450 R CA -1.324 54.726 56.100 -0.083 0.000 1.065 450 R CB 0.752 31.047 30.300 -0.008 0.000 1.003 450 R HN 0.198 nan 8.270 nan 0.000 0.470 451 P HA 0.077 nan 4.420 nan 0.000 0.276 451 P C -0.582 176.818 177.300 0.167 0.000 1.235 451 P CA 0.065 63.350 63.100 0.308 0.000 0.772 451 P CB 0.858 32.712 31.700 0.255 0.000 0.871 452 I N 5.377 126.027 120.570 0.135 0.000 2.330 452 I HA 0.281 4.450 4.170 -0.001 0.000 0.286 452 I C 0.322 176.458 176.117 0.031 0.000 1.025 452 I CA -0.714 60.623 61.300 0.061 0.000 1.197 452 I CB 0.593 38.599 38.000 0.010 0.000 1.358 452 I HN 0.228 nan 8.210 nan 0.000 0.467 453 I N 6.343 126.953 120.570 0.068 0.000 2.378 453 I HA 0.398 4.567 4.170 -0.001 0.000 0.291 453 I C 0.666 176.821 176.117 0.064 0.000 0.992 453 I CA -0.084 61.266 61.300 0.083 0.000 1.154 453 I CB 2.005 40.124 38.000 0.198 0.000 1.315 453 I HN 0.582 nan 8.210 nan 0.000 0.448 454 T N 0.432 114.973 114.554 -0.021 0.000 2.910 454 T HA 0.605 4.954 4.350 -0.001 0.000 0.287 454 T C -0.971 173.708 174.700 -0.035 0.000 1.050 454 T CA -0.813 61.284 62.100 -0.004 0.000 1.011 454 T CB 1.947 70.745 68.868 -0.118 0.000 1.195 454 T HN 0.348 nan 8.240 nan 0.000 0.540 455 D N 0.791 121.214 120.400 0.039 0.000 2.453 455 D HA 0.269 4.908 4.640 -0.001 0.000 0.238 455 D C 1.075 177.355 176.300 -0.034 0.000 1.088 455 D CA -0.756 53.247 54.000 0.006 0.000 0.854 455 D CB 1.007 41.894 40.800 0.145 0.000 1.076 455 D HN 0.567 nan 8.370 nan 0.000 0.533 456 L N 3.296 124.460 121.223 -0.099 0.000 2.013 456 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 456 L C 1.882 178.615 176.870 -0.228 0.000 1.073 456 L CA 1.868 56.628 54.840 -0.134 0.000 0.753 456 L CB -0.161 41.795 42.059 -0.172 0.000 0.890 456 L HN 0.506 nan 8.230 nan 0.000 0.432 457 A N -0.894 121.709 122.820 -0.362 0.000 2.131 457 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 457 A C 1.987 179.545 177.584 -0.043 0.000 1.158 457 A CA 1.425 53.219 52.037 -0.405 0.000 0.665 457 A CB -0.241 18.600 19.000 -0.264 0.000 0.795 457 A HN 0.364 nan 8.150 nan 0.000 0.460 458 K N -1.230 119.159 120.400 -0.017 0.000 2.353 458 K HA 0.289 4.608 4.320 -0.001 0.000 0.195 458 K C 1.559 178.181 176.600 0.037 0.000 1.031 458 K CA 0.222 56.528 56.287 0.033 0.000 1.079 458 K CB -0.109 32.423 32.500 0.052 0.000 0.857 458 K HN 0.572 nan 8.250 nan 0.000 0.535 459 M N 1.288 120.904 119.600 0.026 0.000 2.086 459 M HA -0.103 4.376 4.480 -0.001 0.000 0.261 459 M C -0.808 175.510 176.300 0.031 0.000 1.067 459 M CA 1.968 57.295 55.300 0.044 0.000 1.116 459 M CB -0.838 31.796 32.600 0.057 0.000 1.348 459 M HN -0.138 nan 8.290 nan 0.000 0.407 460 P HA 0.163 nan 4.420 nan 0.000 0.280 460 P C -0.801 176.271 177.300 -0.380 0.000 1.431 460 P CA 0.575 63.606 63.100 -0.116 0.000 1.058 460 P CB 0.378 31.991 31.700 -0.146 0.000 1.521 461 H N -0.351 118.787 119.070 0.113 0.000 2.961 461 H HA 0.471 5.027 4.556 -0.001 0.000 0.371 461 H C -1.086 174.266 175.328 0.040 0.000 1.190 461 H CA -0.776 55.314 56.048 0.069 0.000 1.138 461 H CB 2.366 32.140 29.762 0.020 0.000 1.816 461 H HN -0.071 nan 8.280 nan 0.000 0.551 462 L N 2.093 123.402 121.223 0.143 0.000 2.410 462 L HA 0.449 4.788 4.340 -0.001 0.000 0.270 462 L C -1.513 175.374 176.870 0.030 0.000 0.983 462 L CA -0.427 54.461 54.840 0.081 0.000 0.822 462 L CB 1.648 43.751 42.059 0.073 0.000 1.285 462 L HN 0.483 nan 8.230 nan 0.000 0.409 463 L N 5.413 126.651 121.223 0.025 0.000 2.296 463 L HA 0.719 5.059 4.340 -0.001 0.000 0.286 463 L C -1.069 175.839 176.870 0.063 0.000 1.023 463 L CA -0.739 54.107 54.840 0.011 0.000 0.812 463 L CB 1.905 43.970 42.059 0.011 0.000 1.223 463 L HN 0.381 nan 8.230 nan 0.000 0.421 464 V N 2.918 122.898 119.914 0.110 0.000 2.531 464 V HA 0.797 4.916 4.120 -0.001 0.000 0.301 464 V C -0.239 175.972 176.094 0.194 0.000 1.034 464 V CA -0.538 61.842 62.300 0.134 0.000 0.865 464 V CB 1.615 33.536 31.823 0.163 0.000 0.995 464 V HN 0.817 nan 8.190 nan 0.000 0.424 465 A N 3.051 125.971 122.820 0.167 0.000 2.435 465 A HA 1.046 5.365 4.320 -0.001 0.000 0.304 465 A C -0.103 177.612 177.584 0.218 0.000 1.064 465 A CA -0.225 51.916 52.037 0.174 0.000 0.727 465 A CB 2.179 21.254 19.000 0.125 0.000 1.284 465 A HN 1.602 nan 8.150 nan 0.000 0.415 466 G N 0.715 109.629 108.800 0.190 0.000 2.617 466 G HA2 0.572 4.531 3.960 -0.001 0.000 0.305 466 G HA3 0.572 4.531 3.960 -0.001 0.000 0.305 466 G C -0.466 174.491 174.900 0.096 0.000 1.436 466 G CA 0.164 45.383 45.100 0.198 0.000 1.036 466 G HN 1.284 nan 8.290 nan 0.000 0.589 467 T N -0.617 113.976 114.554 0.064 0.000 2.813 467 T HA 0.521 4.870 4.350 -0.001 0.000 0.297 467 T C 1.261 175.965 174.700 0.006 0.000 1.036 467 T CA 0.299 62.414 62.100 0.025 0.000 1.044 467 T CB 1.067 69.943 68.868 0.014 0.000 0.993 467 T HN 1.605 nan 8.240 nan 0.000 0.535 468 T N -1.282 113.268 114.554 -0.006 0.000 2.933 468 T HA 0.386 4.736 4.350 -0.001 0.000 0.306 468 T C 1.527 176.209 174.700 -0.030 0.000 1.045 468 T CA 0.147 62.236 62.100 -0.018 0.000 1.143 468 T CB -0.305 68.554 68.868 -0.014 0.000 1.003 468 T HN 1.994 nan 8.240 nan 0.000 0.540 469 G N 2.447 111.220 108.800 -0.044 0.000 2.194 469 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.236 469 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.236 469 G C 1.081 175.912 174.900 -0.115 0.000 0.987 469 G CA 0.731 45.789 45.100 -0.071 0.000 0.635 469 G HN 1.711 nan 8.290 nan 0.000 0.520 470 S N -0.241 115.407 115.700 -0.086 0.000 2.461 470 S HA 0.408 4.878 4.470 -0.001 0.000 0.228 470 S C 2.111 176.596 174.600 -0.192 0.000 1.005 470 S CA 1.459 59.617 58.200 -0.071 0.000 0.942 470 S CB 0.226 63.455 63.200 0.049 0.000 0.776 470 S HN 2.385 nan 8.310 nan 0.000 0.514 471 G N 1.559 110.194 108.800 -0.275 0.000 2.141 471 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.195 471 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.195 471 G C 0.518 174.902 174.900 -0.861 0.000 1.012 471 G CA 0.320 45.187 45.100 -0.389 0.000 0.696 471 G HN 0.487 nan 8.290 nan 0.000 0.508 472 K N 0.421 120.379 120.400 -0.736 0.000 2.025 472 K HA 0.001 4.320 4.320 -0.001 0.000 0.207 472 K C 2.535 178.978 176.600 -0.260 0.000 1.049 472 K CA 1.700 57.621 56.287 -0.609 0.000 0.933 472 K CB -0.296 32.144 32.500 -0.099 0.000 0.714 472 K HN 0.327 nan 8.250 nan 0.000 0.438 473 S N 0.775 116.374 115.700 -0.167 0.000 2.359 473 S HA -0.126 4.344 4.470 -0.001 0.000 0.224 473 S C 2.010 176.545 174.600 -0.110 0.000 1.035 473 S CA 1.389 59.536 58.200 -0.087 0.000 1.018 473 S CB -0.254 62.914 63.200 -0.054 0.000 0.876 473 S HN 0.123 nan 8.310 nan 0.000 0.448 474 V N 1.702 121.520 119.914 -0.160 0.000 2.343 474 V HA -0.157 3.962 4.120 -0.001 0.000 0.247 474 V C 2.619 178.598 176.094 -0.193 0.000 1.051 474 V CA 1.957 64.144 62.300 -0.188 0.000 1.036 474 V CB -1.466 30.252 31.823 -0.175 0.000 0.654 474 V HN 0.605 nan 8.190 nan 0.000 0.451 475 G N -0.611 108.077 108.800 -0.186 0.000 2.432 475 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.219 475 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.219 475 G C 1.623 176.524 174.900 0.002 0.000 1.135 475 G CA 1.169 46.255 45.100 -0.024 0.000 0.767 475 G HN 0.404 nan 8.290 nan 0.000 0.550 476 V N 1.258 121.164 119.914 -0.014 0.000 2.379 476 V HA -0.138 3.981 4.120 -0.001 0.000 0.245 476 V C 2.595 178.652 176.094 -0.061 0.000 1.044 476 V CA 1.594 63.888 62.300 -0.011 0.000 1.036 476 V CB -0.382 31.441 31.823 0.001 0.000 0.664 476 V HN 0.303 nan 8.190 nan 0.000 0.453 477 N N 0.699 119.356 118.700 -0.071 0.000 2.166 477 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 477 N C 1.877 177.279 175.510 -0.180 0.000 1.019 477 N CA 1.622 54.643 53.050 -0.048 0.000 0.856 477 N CB -0.359 38.092 38.487 -0.059 0.000 0.993 477 N HN 0.497 nan 8.380 nan 0.000 0.426 478 A N 0.996 123.622 122.820 -0.324 0.000 1.933 478 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 478 A C 2.337 179.765 177.584 -0.260 0.000 1.175 478 A CA 1.087 52.750 52.037 -0.624 0.000 0.628 478 A CB -0.408 18.233 19.000 -0.598 0.000 0.814 478 A HN 0.181 nan 8.150 nan 0.000 0.444 479 M N -0.656 118.874 119.600 -0.118 0.000 2.067 479 M HA -0.114 4.366 4.480 -0.001 0.000 0.260 479 M C 2.143 178.429 176.300 -0.024 0.000 1.069 479 M CA 1.512 56.789 55.300 -0.038 0.000 1.117 479 M CB -0.487 32.094 32.600 -0.031 0.000 1.334 479 M HN 0.379 nan 8.290 nan 0.000 0.407 480 L N -0.413 120.767 121.223 -0.071 0.000 2.046 480 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 480 L C 2.330 179.192 176.870 -0.014 0.000 1.077 480 L CA 0.851 55.625 54.840 -0.109 0.000 0.747 480 L CB -0.597 41.297 42.059 -0.274 0.000 0.896 480 L HN 0.275 nan 8.230 nan 0.000 0.432 481 L N -0.787 120.476 121.223 0.066 0.000 2.201 481 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 481 L C 2.636 179.701 176.870 0.326 0.000 1.105 481 L CA 1.341 56.276 54.840 0.159 0.000 0.775 481 L CB -0.643 41.604 42.059 0.312 0.000 0.913 481 L HN 0.092 nan 8.230 nan 0.000 0.440 482 S N -0.724 115.185 115.700 0.348 0.000 2.382 482 S HA -0.098 4.371 4.470 -0.001 0.000 0.228 482 S C 1.879 176.664 174.600 0.310 0.000 1.027 482 S CA 0.918 59.330 58.200 0.353 0.000 0.991 482 S CB -0.087 63.258 63.200 0.243 0.000 0.823 482 S HN 0.249 nan 8.310 nan 0.000 0.469 483 I N 1.531 122.192 120.570 0.152 0.000 2.162 483 I HA -0.049 4.120 4.170 -0.001 0.000 0.238 483 I C 2.114 178.289 176.117 0.098 0.000 1.076 483 I CA 1.144 62.494 61.300 0.083 0.000 1.353 483 I CB -1.567 36.412 38.000 -0.036 0.000 1.063 483 I HN 0.263 nan 8.210 nan 0.000 0.408 484 L N -0.400 120.814 121.223 -0.015 0.000 2.263 484 L HA -0.209 4.130 4.340 -0.001 0.000 0.216 484 L C 2.281 179.343 176.870 0.320 0.000 1.111 484 L CA 1.419 56.249 54.840 -0.016 0.000 0.773 484 L CB -0.588 41.383 42.059 -0.147 0.000 0.906 484 L HN 0.144 nan 8.230 nan 0.000 0.439 485 F N -0.745 119.406 119.950 0.335 0.000 2.776 485 F HA -0.018 4.509 4.527 -0.001 0.000 0.300 485 F C 2.312 178.290 175.800 0.296 0.000 1.116 485 F CA 0.200 58.386 58.000 0.310 0.000 1.375 485 F CB 0.359 39.502 39.000 0.238 0.000 1.109 485 F HN -0.040 nan 8.300 nan 0.000 0.585 486 K N -1.125 119.540 120.400 0.442 0.000 2.511 486 K HA 0.208 4.527 4.320 -0.001 0.000 0.209 486 K C 0.043 176.785 176.600 0.236 0.000 1.301 486 K CA 0.242 56.686 56.287 0.263 0.000 0.967 486 K CB 0.662 33.236 32.500 0.123 0.000 1.109 486 K HN -0.087 nan 8.250 nan 0.000 0.561 487 S N 0.430 116.299 115.700 0.281 0.000 2.566 487 S HA 0.303 4.772 4.470 -0.001 0.000 0.298 487 S C -0.605 174.211 174.600 0.360 0.000 1.083 487 S CA -0.805 57.545 58.200 0.249 0.000 0.978 487 S CB 1.878 65.169 63.200 0.152 0.000 1.073 487 S HN 0.351 nan 8.310 nan 0.000 0.491 488 T N -0.614 114.088 114.554 0.246 0.000 2.927 488 T HA 0.451 4.800 4.350 -0.001 0.000 0.281 488 T C -2.304 172.274 174.700 -0.204 0.000 0.998 488 T CA -2.103 60.073 62.100 0.128 0.000 1.019 488 T CB 0.865 69.844 68.868 0.185 0.000 1.061 488 T HN 0.147 nan 8.240 nan 0.000 0.518 489 P HA -0.094 nan 4.420 nan 0.000 0.220 489 P C 1.396 178.580 177.300 -0.194 0.000 1.144 489 P CA 1.181 63.925 63.100 -0.593 0.000 0.800 489 P CB -0.056 31.282 31.700 -0.603 0.000 0.772 490 S N -2.189 113.451 115.700 -0.099 0.000 2.558 490 S HA 0.083 4.552 4.470 -0.001 0.000 0.217 490 S C 1.459 176.070 174.600 0.018 0.000 0.975 490 S CA 0.297 58.485 58.200 -0.020 0.000 0.912 490 S CB -0.501 62.701 63.200 0.003 0.000 0.776 490 S HN 0.221 nan 8.310 nan 0.000 0.526 491 E N 0.843 121.056 120.200 0.023 0.000 2.364 491 E HA 0.484 4.834 4.350 -0.001 0.000 0.203 491 E C 0.265 176.900 176.600 0.059 0.000 0.888 491 E CA 0.376 56.808 56.400 0.053 0.000 0.989 491 E CB 0.903 30.646 29.700 0.071 0.000 0.985 491 E HN 0.527 nan 8.360 nan 0.000 0.499 492 A N 1.205 124.061 122.820 0.060 0.000 2.437 492 A HA 0.603 4.923 4.320 -0.001 0.000 0.293 492 A C -1.050 176.585 177.584 0.085 0.000 1.038 492 A CA -0.827 51.255 52.037 0.076 0.000 0.708 492 A CB 1.351 20.397 19.000 0.077 0.000 1.251 492 A HN -0.104 nan 8.150 nan 0.000 0.409 493 R N 0.965 121.505 120.500 0.067 0.000 2.778 493 R HA 0.801 5.140 4.340 -0.001 0.000 0.277 493 R C -1.191 175.135 176.300 0.043 0.000 0.977 493 R CA -0.687 55.447 56.100 0.057 0.000 0.950 493 R CB 1.519 31.850 30.300 0.053 0.000 1.165 493 R HN 0.706 nan 8.270 nan 0.000 0.474 494 L N 2.261 123.495 121.223 0.019 0.000 2.370 494 L HA 0.629 4.968 4.340 -0.001 0.000 0.266 494 L C -0.261 176.583 176.870 -0.044 0.000 1.002 494 L CA -0.763 54.064 54.840 -0.021 0.000 0.818 494 L CB 2.157 44.171 42.059 -0.075 0.000 1.325 494 L HN 0.384 nan 8.230 nan 0.000 0.418 495 I N 2.783 123.326 120.570 -0.046 0.000 2.439 495 I HA 0.394 4.563 4.170 -0.001 0.000 0.283 495 I C -0.684 175.392 176.117 -0.068 0.000 1.023 495 I CA -0.199 61.059 61.300 -0.071 0.000 1.100 495 I CB 1.774 39.748 38.000 -0.043 0.000 1.238 495 I HN 0.500 nan 8.210 nan 0.000 0.445 496 M N 7.367 126.914 119.600 -0.087 0.000 2.101 496 M HA 0.514 4.993 4.480 -0.001 0.000 0.340 496 M C -0.780 175.485 176.300 -0.059 0.000 1.057 496 M CA -0.426 54.825 55.300 -0.081 0.000 0.984 496 M CB 1.773 34.311 32.600 -0.104 0.000 1.560 496 M HN 0.385 nan 8.290 nan 0.000 0.435 497 I N 2.747 123.296 120.570 -0.035 0.000 2.330 497 I HA 0.216 4.385 4.170 -0.001 0.000 0.289 497 I C -0.337 175.779 176.117 -0.001 0.000 1.001 497 I CA -0.235 61.055 61.300 -0.016 0.000 1.193 497 I CB 1.080 39.082 38.000 0.003 0.000 1.345 497 I HN 0.528 nan 8.210 nan 0.000 0.461 498 D N 9.100 129.499 120.400 -0.002 0.000 2.434 498 D HA 0.252 4.891 4.640 -0.001 0.000 0.275 498 D C -1.482 174.823 176.300 0.009 0.000 1.172 498 D CA -2.163 51.843 54.000 0.009 0.000 0.916 498 D CB 1.310 42.117 40.800 0.012 0.000 1.041 498 D HN 0.196 nan 8.370 nan 0.000 0.501 499 P HA -0.171 nan 4.420 nan 0.000 0.220 499 P C -0.365 176.938 177.300 0.005 0.000 1.144 499 P CA 0.822 63.928 63.100 0.009 0.000 0.800 499 P CB 0.267 31.975 31.700 0.014 0.000 0.772 500 K N -0.021 120.384 120.400 0.007 0.000 2.425 500 K HA 0.345 4.664 4.320 -0.001 0.000 0.259 500 K C 0.367 176.973 176.600 0.009 0.000 0.978 500 K CA -0.796 55.495 56.287 0.006 0.000 0.883 500 K CB 0.822 33.326 32.500 0.006 0.000 1.110 500 K HN -0.213 nan 8.250 nan 0.000 0.436 501 M N 3.362 122.966 119.600 0.008 0.000 2.896 501 M HA -0.088 4.392 4.480 -0.001 0.000 0.198 501 M C 0.841 177.150 176.300 0.016 0.000 0.986 501 M CA 0.746 56.053 55.300 0.011 0.000 1.125 501 M CB -0.719 31.886 32.600 0.007 0.000 1.672 501 M HN 0.620 nan 8.290 nan 0.000 0.505 502 L N -0.781 120.453 121.223 0.017 0.000 2.597 502 L HA 0.079 4.418 4.340 -0.001 0.000 0.188 502 L C 1.959 178.848 176.870 0.032 0.000 1.333 502 L CA 0.428 55.280 54.840 0.019 0.000 1.543 502 L CB -0.196 41.871 42.059 0.013 0.000 1.504 502 L HN 0.088 nan 8.230 nan 0.000 0.813 503 E N 0.723 120.943 120.200 0.034 0.000 2.095 503 E HA -0.282 4.067 4.350 -0.001 0.000 0.212 503 E C 2.015 178.678 176.600 0.105 0.000 1.044 503 E CA 1.945 58.377 56.400 0.053 0.000 0.857 503 E CB -0.666 29.058 29.700 0.040 0.000 0.764 503 E HN 0.525 nan 8.360 nan 0.000 0.462 504 L N 0.722 122.006 121.223 0.100 0.000 2.492 504 L HA 0.024 4.364 4.340 -0.001 0.000 0.223 504 L C 2.073 179.062 176.870 0.198 0.000 1.132 504 L CA 0.163 55.100 54.840 0.163 0.000 0.850 504 L CB -0.072 42.010 42.059 0.038 0.000 0.966 504 L HN -0.051 nan 8.230 nan 0.000 0.454 505 S N 0.345 116.113 115.700 0.113 0.000 2.500 505 S HA -0.080 4.390 4.470 -0.001 0.000 0.239 505 S C 1.842 176.495 174.600 0.088 0.000 0.989 505 S CA 0.592 58.844 58.200 0.087 0.000 0.951 505 S CB -0.120 63.109 63.200 0.049 0.000 0.759 505 S HN 0.323 nan 8.310 nan 0.000 0.523 506 I N 0.474 121.094 120.570 0.085 0.000 3.111 506 I HA -0.023 4.146 4.170 -0.001 0.000 0.272 506 I C 0.434 176.480 176.117 -0.118 0.000 1.268 506 I CA 1.081 62.365 61.300 -0.027 0.000 1.467 506 I CB -0.440 37.495 38.000 -0.108 0.000 1.087 506 I HN 0.287 nan 8.210 nan 0.000 0.467 507 Y N 0.797 121.099 120.300 0.004 0.000 2.457 507 Y HA 0.168 4.717 4.550 -0.001 0.000 0.263 507 Y C 0.851 176.759 175.900 0.013 0.000 1.164 507 Y CA -0.501 57.594 58.100 -0.007 0.000 1.274 507 Y CB -0.244 38.196 38.460 -0.033 0.000 1.097 507 Y HN 0.064 nan 8.280 nan 0.000 0.523 508 E N 0.538 120.826 120.200 0.147 0.000 2.502 508 E HA 0.223 4.572 4.350 -0.001 0.000 0.261 508 E C 1.341 178.016 176.600 0.125 0.000 0.974 508 E CA 1.280 57.757 56.400 0.129 0.000 0.936 508 E CB 0.140 29.898 29.700 0.096 0.000 0.926 508 E HN 0.524 nan 8.360 nan 0.000 0.459 509 G N 3.610 112.513 108.800 0.171 0.000 2.268 509 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.240 509 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.240 509 G C 0.596 175.550 174.900 0.089 0.000 1.010 509 G CA 0.049 45.219 45.100 0.116 0.000 0.618 509 G HN 0.871 nan 8.290 nan 0.000 0.516 510 I N -0.187 120.455 120.570 0.120 0.000 2.752 510 I HA 0.325 4.495 4.170 -0.001 0.000 0.287 510 I C -0.090 176.079 176.117 0.088 0.000 1.188 510 I CA -1.006 60.367 61.300 0.120 0.000 1.427 510 I CB 0.763 38.828 38.000 0.108 0.000 1.365 510 I HN 0.001 nan 8.210 nan 0.000 0.585 511 P HA -0.188 nan 4.420 nan 0.000 0.223 511 P C 0.881 178.091 177.300 -0.150 0.000 1.144 511 P CA 1.744 64.790 63.100 -0.089 0.000 0.783 511 P CB -0.174 31.446 31.700 -0.132 0.000 0.771 512 H N -0.648 118.291 119.070 -0.218 0.000 2.495 512 H HA 0.128 4.683 4.556 -0.001 0.000 0.287 512 H C 1.105 176.381 175.328 -0.087 0.000 1.033 512 H CA 0.027 55.958 56.048 -0.196 0.000 1.307 512 H CB -0.947 28.643 29.762 -0.287 0.000 1.401 512 H HN 0.124 nan 8.280 nan 0.000 0.555 513 L N 1.310 122.596 121.223 0.104 0.000 2.455 513 L HA -0.037 4.302 4.340 -0.001 0.000 0.272 513 L C 0.981 177.919 176.870 0.112 0.000 1.174 513 L CA 0.057 54.955 54.840 0.098 0.000 0.869 513 L CB 0.802 42.969 42.059 0.180 0.000 1.130 513 L HN 0.295 nan 8.230 nan 0.000 0.474 514 L N 3.357 124.568 121.223 -0.019 0.000 2.418 514 L HA 0.029 4.369 4.340 -0.001 0.000 0.218 514 L C 0.560 177.338 176.870 -0.154 0.000 1.125 514 L CA 0.173 54.959 54.840 -0.090 0.000 0.835 514 L CB -0.036 41.876 42.059 -0.245 0.000 0.953 514 L HN 0.826 nan 8.230 nan 0.000 0.454 515 C N -5.873 113.247 119.300 -0.300 0.000 3.295 515 C HA 0.550 5.009 4.460 -0.001 0.000 0.341 515 C C -2.780 171.652 174.990 -0.929 0.000 1.418 515 C CA -1.932 56.662 59.018 -0.707 0.000 1.240 515 C CB 0.976 28.429 27.740 -0.478 0.000 1.562 515 C HN -0.218 nan 8.230 nan 0.000 0.457 516 P HA 0.240 nan 4.420 nan 0.000 0.271 516 P C -0.486 176.648 177.300 -0.277 0.000 1.244 516 P CA -0.172 62.574 63.100 -0.589 0.000 0.793 516 P CB 0.296 31.758 31.700 -0.398 0.000 0.984 517 V N 1.887 121.725 119.914 -0.128 0.000 2.493 517 V HA -0.040 4.079 4.120 -0.001 0.000 0.292 517 V C 0.386 176.431 176.094 -0.083 0.000 1.016 517 V CA 0.134 62.389 62.300 -0.076 0.000 1.097 517 V CB -0.002 31.814 31.823 -0.011 0.000 0.947 517 V HN 0.198 nan 8.190 nan 0.000 0.479 518 V N 5.366 125.228 119.914 -0.086 0.000 2.446 518 V HA 0.066 4.186 4.120 -0.001 0.000 0.276 518 V C 1.147 177.217 176.094 -0.040 0.000 1.030 518 V CA 0.469 62.725 62.300 -0.072 0.000 1.033 518 V CB 0.530 32.311 31.823 -0.071 0.000 0.993 518 V HN 1.049 nan 8.190 nan 0.000 0.477 519 T N 1.676 116.209 114.554 -0.035 0.000 3.038 519 T HA 0.022 4.371 4.350 -0.001 0.000 0.244 519 T C 0.750 175.441 174.700 -0.015 0.000 1.016 519 T CA 0.172 62.261 62.100 -0.019 0.000 1.098 519 T CB 0.073 68.931 68.868 -0.016 0.000 0.954 519 T HN 0.823 nan 8.240 nan 0.000 0.469 520 D N 1.560 121.948 120.400 -0.021 0.000 2.317 520 D HA 0.048 4.687 4.640 -0.001 0.000 0.252 520 D C 0.999 177.292 176.300 -0.012 0.000 1.174 520 D CA -0.243 53.748 54.000 -0.015 0.000 0.866 520 D CB 1.083 41.872 40.800 -0.018 0.000 1.127 520 D HN -0.051 nan 8.370 nan 0.000 0.467 521 M N 3.693 123.290 119.600 -0.005 0.000 2.213 521 M HA -0.109 4.370 4.480 -0.001 0.000 0.263 521 M C 1.769 178.071 176.300 0.002 0.000 1.062 521 M CA 1.022 56.322 55.300 0.001 0.000 1.105 521 M CB -0.736 31.868 32.600 0.006 0.000 1.385 521 M HN 0.373 nan 8.290 nan 0.000 0.417 522 K N 0.444 120.844 120.400 -0.000 0.000 2.057 522 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 522 K C 1.936 178.536 176.600 -0.000 0.000 1.049 522 K CA 1.161 57.449 56.287 0.002 0.000 0.931 522 K CB -0.376 32.124 32.500 0.000 0.000 0.714 522 K HN 0.517 nan 8.250 nan 0.000 0.440 523 E N 0.447 120.641 120.200 -0.010 0.000 2.106 523 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 523 E C 1.995 178.585 176.600 -0.017 0.000 0.984 523 E CA 0.927 57.316 56.400 -0.019 0.000 0.806 523 E CB -0.083 29.595 29.700 -0.037 0.000 0.750 523 E HN 0.272 nan 8.360 nan 0.000 0.458 524 A N 1.587 124.400 122.820 -0.012 0.000 1.940 524 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 524 A C 2.401 179.993 177.584 0.014 0.000 1.176 524 A CA 1.733 53.767 52.037 -0.004 0.000 0.631 524 A CB -0.617 18.385 19.000 0.003 0.000 0.814 524 A HN 0.301 nan 8.150 nan 0.000 0.446 525 A N 0.290 123.121 122.820 0.017 0.000 1.933 525 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 525 A C 1.899 179.505 177.584 0.037 0.000 1.175 525 A CA 1.797 53.849 52.037 0.025 0.000 0.628 525 A CB -0.596 18.416 19.000 0.020 0.000 0.814 525 A HN 0.562 nan 8.150 nan 0.000 0.444 526 N N 0.437 119.158 118.700 0.035 0.000 2.188 526 N HA -0.062 4.678 4.740 -0.001 0.000 0.184 526 N C 1.831 177.402 175.510 0.100 0.000 1.018 526 N CA 1.413 54.497 53.050 0.058 0.000 0.858 526 N CB -0.562 37.947 38.487 0.037 0.000 0.989 526 N HN 0.474 nan 8.380 nan 0.000 0.426 527 A N 1.223 124.079 122.820 0.060 0.000 1.933 527 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 527 A C 2.335 180.023 177.584 0.173 0.000 1.175 527 A CA 0.821 52.905 52.037 0.078 0.000 0.628 527 A CB -0.585 18.408 19.000 -0.012 0.000 0.814 527 A HN 0.190 nan 8.150 nan 0.000 0.444 528 L N -1.426 119.862 121.223 0.107 0.000 2.072 528 L HA -0.128 4.211 4.340 -0.001 0.000 0.205 528 L C 2.868 179.795 176.870 0.095 0.000 1.079 528 L CA 1.194 56.088 54.840 0.091 0.000 0.752 528 L CB -0.472 41.614 42.059 0.044 0.000 0.906 528 L HN 0.359 nan 8.230 nan 0.000 0.436 529 R N -0.877 119.680 120.500 0.096 0.000 2.081 529 R HA -0.230 4.110 4.340 -0.001 0.000 0.235 529 R C 2.120 178.476 176.300 0.093 0.000 1.131 529 R CA 1.959 58.102 56.100 0.071 0.000 0.960 529 R CB -0.457 29.883 30.300 0.065 0.000 0.856 529 R HN 0.393 nan 8.270 nan 0.000 0.436 530 W N 1.308 122.599 121.300 -0.014 0.000 2.338 530 W HA -0.190 4.469 4.660 -0.001 0.000 0.304 530 W C 2.060 178.572 176.519 -0.012 0.000 1.212 530 W CA 1.784 59.121 57.345 -0.012 0.000 1.264 530 W CB -0.157 29.295 29.460 -0.014 0.000 1.142 530 W HN -0.074 nan 8.180 nan 0.000 0.512 531 S N 0.153 115.974 115.700 0.201 0.000 2.382 531 S HA -0.205 4.264 4.470 -0.001 0.000 0.228 531 S C 1.793 176.309 174.600 -0.140 0.000 1.027 531 S CA 1.618 59.834 58.200 0.025 0.000 0.991 531 S CB -0.803 62.494 63.200 0.162 0.000 0.823 531 S HN 0.168 nan 8.310 nan 0.000 0.469 532 V N 2.091 121.954 119.914 -0.085 0.000 2.343 532 V HA -0.187 3.933 4.120 -0.001 0.000 0.247 532 V C 2.669 178.672 176.094 -0.151 0.000 1.051 532 V CA 1.651 63.897 62.300 -0.091 0.000 1.036 532 V CB -1.306 30.482 31.823 -0.058 0.000 0.654 532 V HN 0.536 nan 8.190 nan 0.000 0.451 533 A N 0.324 123.015 122.820 -0.215 0.000 1.858 533 A HA -0.262 4.058 4.320 -0.001 0.000 0.216 533 A C 2.221 179.591 177.584 -0.356 0.000 1.190 533 A CA 2.057 53.939 52.037 -0.258 0.000 0.617 533 A CB -0.605 18.229 19.000 -0.277 0.000 0.827 533 A HN 0.537 nan 8.150 nan 0.000 0.443 534 E N -0.123 119.699 120.200 -0.631 0.000 2.160 534 E HA -0.222 4.127 4.350 -0.001 0.000 0.195 534 E C 1.903 178.296 176.600 -0.345 0.000 0.991 534 E CA 1.737 57.745 56.400 -0.654 0.000 0.810 534 E CB -0.423 28.574 29.700 -1.172 0.000 0.742 534 E HN 0.631 nan 8.360 nan 0.000 0.466 535 M N -0.068 119.387 119.600 -0.242 0.000 2.077 535 M HA -0.146 4.333 4.480 -0.001 0.000 0.261 535 M C 1.653 177.979 176.300 0.042 0.000 1.070 535 M CA 1.742 56.996 55.300 -0.077 0.000 1.125 535 M CB -0.083 32.514 32.600 -0.004 0.000 1.339 535 M HN -0.004 nan 8.290 nan 0.000 0.409 536 E N 0.350 120.547 120.200 -0.005 0.000 2.085 536 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 536 E C 2.062 178.664 176.600 0.004 0.000 0.994 536 E CA 1.326 57.741 56.400 0.026 0.000 0.801 536 E CB -0.613 29.060 29.700 -0.045 0.000 0.743 536 E HN 0.599 nan 8.360 nan 0.000 0.453 537 R N 1.134 121.584 120.500 -0.084 0.000 2.081 537 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 537 R C 2.306 178.537 176.300 -0.115 0.000 1.131 537 R CA 1.123 57.164 56.100 -0.099 0.000 0.960 537 R CB 0.024 30.236 30.300 -0.146 0.000 0.856 537 R HN 0.052 nan 8.270 nan 0.000 0.436 538 R N -0.858 119.538 120.500 -0.173 0.000 2.075 538 R HA -0.143 4.197 4.340 -0.001 0.000 0.232 538 R C 2.203 178.347 176.300 -0.260 0.000 1.126 538 R CA 1.708 57.637 56.100 -0.284 0.000 0.963 538 R CB -0.475 29.603 30.300 -0.370 0.000 0.858 538 R HN 0.314 nan 8.270 nan 0.000 0.435 539 Y N 0.687 120.916 120.300 -0.119 0.000 2.165 539 Y HA -0.207 4.342 4.550 -0.001 0.000 0.286 539 Y C 2.699 178.564 175.900 -0.058 0.000 1.155 539 Y CA 1.451 59.503 58.100 -0.079 0.000 1.164 539 Y CB -0.120 38.299 38.460 -0.068 0.000 0.978 539 Y HN -0.020 nan 8.280 nan 0.000 0.513 540 R N 0.001 120.550 120.500 0.081 0.000 2.083 540 R HA -0.207 4.132 4.340 -0.001 0.000 0.237 540 R C 2.303 178.616 176.300 0.022 0.000 1.137 540 R CA 1.590 57.715 56.100 0.042 0.000 0.951 540 R CB -0.678 29.631 30.300 0.015 0.000 0.851 540 R HN 0.369 nan 8.270 nan 0.000 0.434 541 L N 0.441 121.652 121.223 -0.021 0.000 1.970 541 L HA -0.275 4.064 4.340 -0.001 0.000 0.212 541 L C 2.447 179.342 176.870 0.043 0.000 1.071 541 L CA 1.675 56.511 54.840 -0.007 0.000 0.751 541 L CB -0.175 41.811 42.059 -0.121 0.000 0.889 541 L HN 0.330 nan 8.230 nan 0.000 0.432 542 M N -1.115 118.476 119.600 -0.015 0.000 2.195 542 M HA -0.239 4.240 4.480 -0.001 0.000 0.260 542 M C 2.283 178.625 176.300 0.070 0.000 1.066 542 M CA 1.736 57.064 55.300 0.047 0.000 1.089 542 M CB -0.542 32.026 32.600 -0.052 0.000 1.377 542 M HN 0.435 nan 8.290 nan 0.000 0.411 543 A N 0.430 123.288 122.820 0.063 0.000 1.873 543 A HA -0.019 4.300 4.320 -0.001 0.000 0.215 543 A C 2.387 180.006 177.584 0.060 0.000 1.186 543 A CA 1.823 53.899 52.037 0.066 0.000 0.616 543 A CB -0.907 18.132 19.000 0.065 0.000 0.823 543 A HN 0.490 nan 8.150 nan 0.000 0.442 544 A N -0.796 122.061 122.820 0.061 0.000 1.972 544 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 544 A C 2.064 179.688 177.584 0.067 0.000 1.169 544 A CA 1.779 53.852 52.037 0.060 0.000 0.635 544 A CB -0.444 18.595 19.000 0.064 0.000 0.810 544 A HN 0.476 nan 8.150 nan 0.000 0.446 545 M N -1.615 118.039 119.600 0.090 0.000 2.541 545 M HA 0.142 4.621 4.480 -0.001 0.000 0.252 545 M C 1.427 177.763 176.300 0.060 0.000 1.125 545 M CA 1.039 56.390 55.300 0.086 0.000 1.091 545 M CB -0.818 31.871 32.600 0.149 0.000 1.420 545 M HN 0.746 nan 8.290 nan 0.000 0.486 546 G N 1.730 110.565 108.800 0.059 0.000 2.198 546 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.257 546 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.257 546 G C -0.139 174.790 174.900 0.048 0.000 1.042 546 G CA -0.007 45.120 45.100 0.046 0.000 0.791 546 G HN 0.350 nan 8.290 nan 0.000 0.502 547 V N -0.455 119.499 119.914 0.067 0.000 2.667 547 V HA 0.494 4.614 4.120 -0.001 0.000 0.308 547 V C 1.479 177.608 176.094 0.059 0.000 1.048 547 V CA -0.686 61.656 62.300 0.070 0.000 0.928 547 V CB 1.732 33.625 31.823 0.116 0.000 1.004 547 V HN 0.336 nan 8.190 nan 0.000 0.444 548 R N 1.887 122.417 120.500 0.049 0.000 2.246 548 R HA 0.162 4.502 4.340 -0.001 0.000 0.199 548 R C -0.074 176.240 176.300 0.022 0.000 0.984 548 R CA 0.630 56.757 56.100 0.045 0.000 1.015 548 R CB 0.138 30.465 30.300 0.044 0.000 0.930 548 R HN 0.957 nan 8.270 nan 0.000 0.475 549 N N -2.625 116.084 118.700 0.014 0.000 3.227 549 N HA -0.039 4.700 4.740 -0.001 0.000 0.241 549 N C -0.017 175.500 175.510 0.011 0.000 1.480 549 N CA -0.690 52.344 53.050 -0.027 0.000 0.886 549 N CB 0.284 38.772 38.487 0.001 0.000 1.406 549 N HN -0.206 nan 8.380 nan 0.000 0.514 550 L N 0.021 121.227 121.223 -0.028 0.000 2.089 550 L HA -0.071 4.268 4.340 -0.001 0.000 0.213 550 L C 2.114 179.063 176.870 0.131 0.000 1.079 550 L CA 2.730 57.588 54.840 0.030 0.000 0.758 550 L CB -1.114 40.942 42.059 -0.005 0.000 0.891 550 L HN 0.836 nan 8.230 nan 0.000 0.433 551 A N -0.666 122.206 122.820 0.086 0.000 1.851 551 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 551 A C 2.384 180.016 177.584 0.080 0.000 1.195 551 A CA 1.763 53.847 52.037 0.079 0.000 0.622 551 A CB -1.672 17.360 19.000 0.054 0.000 0.831 551 A HN 0.518 nan 8.150 nan 0.000 0.444 552 G N -1.423 107.422 108.800 0.075 0.000 2.442 552 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.219 552 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.219 552 G C 1.471 176.415 174.900 0.074 0.000 1.141 552 G CA 1.196 46.332 45.100 0.059 0.000 0.763 552 G HN 0.528 nan 8.290 nan 0.000 0.554 553 F N 1.824 121.761 119.950 -0.021 0.000 2.102 553 F HA -0.071 4.455 4.527 -0.001 0.000 0.298 553 F C 2.343 178.135 175.800 -0.013 0.000 1.105 553 F CA 2.019 60.006 58.000 -0.022 0.000 1.239 553 F CB -0.444 38.535 39.000 -0.037 0.000 0.991 553 F HN 0.185 nan 8.300 nan 0.000 0.474 554 N N -0.353 118.407 118.700 0.099 0.000 2.289 554 N HA -0.136 4.604 4.740 -0.001 0.000 0.184 554 N C 1.779 177.228 175.510 -0.100 0.000 1.016 554 N CA 0.763 53.800 53.050 -0.020 0.000 0.872 554 N CB -0.054 38.506 38.487 0.121 0.000 0.973 554 N HN 0.329 nan 8.380 nan 0.000 0.433 555 R N 1.023 121.482 120.500 -0.068 0.000 2.061 555 R HA -0.051 4.289 4.340 -0.001 0.000 0.230 555 R C 2.078 178.308 176.300 -0.116 0.000 1.140 555 R CA 1.035 57.096 56.100 -0.065 0.000 0.940 555 R CB -0.218 30.062 30.300 -0.034 0.000 0.839 555 R HN -0.023 nan 8.270 nan 0.000 0.429 556 K N 0.648 120.959 120.400 -0.148 0.000 2.071 556 K HA -0.205 4.114 4.320 -0.001 0.000 0.217 556 K C 1.967 178.434 176.600 -0.222 0.000 1.054 556 K CA 1.777 57.959 56.287 -0.176 0.000 0.937 556 K CB -0.799 31.575 32.500 -0.209 0.000 0.719 556 K HN 0.082 nan 8.250 nan 0.000 0.454 557 V N 0.417 120.115 119.914 -0.359 0.000 2.515 557 V HA -0.218 3.901 4.120 -0.001 0.000 0.250 557 V C 2.180 178.171 176.094 -0.171 0.000 1.058 557 V CA 2.043 64.152 62.300 -0.318 0.000 1.064 557 V CB -0.259 31.278 31.823 -0.477 0.000 0.675 557 V HN 0.392 nan 8.190 nan 0.000 0.461 558 K N -0.524 119.793 120.400 -0.138 0.000 2.007 558 K HA -0.160 4.159 4.320 -0.001 0.000 0.206 558 K C 1.900 178.461 176.600 -0.065 0.000 1.047 558 K CA 1.776 58.017 56.287 -0.078 0.000 0.937 558 K CB -0.274 32.194 32.500 -0.054 0.000 0.718 558 K HN 0.501 nan 8.250 nan 0.000 0.438 559 D N 0.800 121.159 120.400 -0.068 0.000 2.116 559 D HA -0.209 4.431 4.640 -0.001 0.000 0.193 559 D C 1.797 178.065 176.300 -0.052 0.000 0.998 559 D CA 1.580 55.548 54.000 -0.053 0.000 0.836 559 D CB -0.444 40.325 40.800 -0.052 0.000 0.951 559 D HN 0.357 nan 8.370 nan 0.000 0.449 560 A N 1.027 123.806 122.820 -0.068 0.000 1.917 560 A HA -0.272 4.047 4.320 -0.001 0.000 0.219 560 A C 2.091 179.646 177.584 -0.049 0.000 1.182 560 A CA 1.960 53.961 52.037 -0.061 0.000 0.633 560 A CB -0.647 18.306 19.000 -0.078 0.000 0.819 560 A HN 0.294 nan 8.150 nan 0.000 0.448 561 E N -0.599 119.570 120.200 -0.051 0.000 2.107 561 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 561 E C 1.899 178.482 176.600 -0.029 0.000 0.982 561 E CA 1.153 57.530 56.400 -0.038 0.000 0.809 561 E CB -0.161 29.517 29.700 -0.036 0.000 0.756 561 E HN 0.750 nan 8.360 nan 0.000 0.459 562 E N 0.280 120.462 120.200 -0.029 0.000 2.347 562 E HA -0.052 4.297 4.350 -0.001 0.000 0.196 562 E C 1.055 177.643 176.600 -0.021 0.000 1.008 562 E CA 0.546 56.932 56.400 -0.023 0.000 0.852 562 E CB 0.184 29.871 29.700 -0.022 0.000 0.783 562 E HN 0.110 nan 8.360 nan 0.000 0.505 563 A N 0.176 122.981 122.820 -0.024 0.000 2.577 563 A HA 0.422 4.741 4.320 -0.001 0.000 0.280 563 A C 1.545 179.117 177.584 -0.020 0.000 1.331 563 A CA 0.410 52.434 52.037 -0.021 0.000 0.935 563 A CB -0.451 18.535 19.000 -0.024 0.000 1.082 563 A HN 0.262 nan 8.150 nan 0.000 0.525 564 G N -0.274 108.514 108.800 -0.020 0.000 2.366 564 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.263 564 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.263 564 G C 0.625 175.513 174.900 -0.020 0.000 0.986 564 G CA 1.291 46.380 45.100 -0.018 0.000 0.632 564 G HN 0.782 nan 8.290 nan 0.000 0.555 565 T N 4.085 118.625 114.554 -0.023 0.000 3.400 565 T HA 0.496 4.846 4.350 -0.001 0.000 0.364 565 T C -1.923 172.759 174.700 -0.031 0.000 1.636 565 T CA -0.561 61.524 62.100 -0.024 0.000 1.211 565 T CB 1.709 70.564 68.868 -0.022 0.000 1.180 565 T HN 0.392 nan 8.240 nan 0.000 0.730 566 P HA 0.141 nan 4.420 nan 0.000 0.269 566 P C -0.074 177.201 177.300 -0.041 0.000 1.209 566 P CA -0.351 62.725 63.100 -0.040 0.000 0.776 566 P CB 1.080 32.760 31.700 -0.034 0.000 0.876 567 L N 1.223 122.414 121.223 -0.054 0.000 2.456 567 L HA 0.405 4.744 4.340 -0.001 0.000 0.257 567 L C 1.297 178.149 176.870 -0.030 0.000 1.162 567 L CA 0.014 54.826 54.840 -0.047 0.000 0.808 567 L CB 0.592 42.605 42.059 -0.076 0.000 1.136 567 L HN 0.420 nan 8.230 nan 0.000 0.466 568 T N -0.704 113.842 114.554 -0.013 0.000 2.893 568 T HA 0.125 4.474 4.350 -0.001 0.000 0.291 568 T C -0.631 174.087 174.700 0.029 0.000 1.028 568 T CA -0.736 61.359 62.100 -0.010 0.000 0.995 568 T CB 1.266 70.118 68.868 -0.027 0.000 1.051 568 T HN 0.569 nan 8.240 nan 0.000 0.470 569 D N 4.753 125.176 120.400 0.039 0.000 2.536 569 D HA 0.021 4.660 4.640 -0.001 0.000 0.260 569 D C -1.012 175.368 176.300 0.134 0.000 1.270 569 D CA -1.244 52.816 54.000 0.100 0.000 0.934 569 D CB 1.360 42.225 40.800 0.109 0.000 1.129 569 D HN 0.371 nan 8.370 nan 0.000 0.533 570 P HA -0.076 nan 4.420 nan 0.000 0.229 570 P C 1.230 178.598 177.300 0.114 0.000 1.160 570 P CA 0.468 63.633 63.100 0.110 0.000 0.777 570 P CB 0.328 32.082 31.700 0.089 0.000 0.814 571 L N -1.265 120.031 121.223 0.123 0.000 2.653 571 L HA 0.237 4.576 4.340 -0.001 0.000 0.232 571 L C 0.909 177.850 176.870 0.120 0.000 1.169 571 L CA -0.553 54.342 54.840 0.093 0.000 0.951 571 L CB -0.615 41.484 42.059 0.066 0.000 1.181 571 L HN -0.095 nan 8.230 nan 0.000 0.460 572 F N 2.851 122.813 119.950 0.019 0.000 2.427 572 F HA 0.290 4.817 4.527 -0.001 0.000 0.352 572 F C 0.916 176.724 175.800 0.013 0.000 1.100 572 F CA -0.683 57.328 58.000 0.017 0.000 1.191 572 F CB 0.459 39.471 39.000 0.019 0.000 1.128 572 F HN 0.066 nan 8.300 nan 0.000 0.533 573 R N 6.501 126.470 120.500 -0.884 0.000 2.337 573 R HA 0.481 4.820 4.340 -0.001 0.000 0.319 573 R C -0.986 174.743 176.300 -0.952 0.000 0.954 573 R CA -0.870 54.826 56.100 -0.673 0.000 0.840 573 R CB 0.939 31.038 30.300 -0.334 0.000 1.164 573 R HN 0.685 nan 8.270 nan 0.000 0.472 574 R N 2.378 122.501 120.500 -0.628 0.000 2.570 574 R HA 0.007 4.346 4.340 -0.001 0.000 0.277 574 R C 0.037 176.223 176.300 -0.189 0.000 1.039 574 R CA 0.192 56.103 56.100 -0.315 0.000 1.065 574 R CB 0.682 30.958 30.300 -0.040 0.000 0.964 574 R HN 0.773 nan 8.270 nan 0.000 0.428 575 E N 0.151 120.290 120.200 -0.102 0.000 2.541 575 E HA 0.061 4.410 4.350 -0.001 0.000 0.219 575 E C -0.132 176.463 176.600 -0.008 0.000 0.922 575 E CA 0.014 56.380 56.400 -0.057 0.000 1.095 575 E CB 1.213 30.883 29.700 -0.050 0.000 1.112 575 E HN 0.440 nan 8.360 nan 0.000 0.516 576 S N -0.023 115.691 115.700 0.022 0.000 2.556 576 S HA 0.300 4.769 4.470 -0.001 0.000 0.271 576 S C -2.458 172.173 174.600 0.052 0.000 1.135 576 S CA -1.416 56.805 58.200 0.035 0.000 0.858 576 S CB 1.426 64.653 63.200 0.044 0.000 1.114 576 S HN -0.279 nan 8.310 nan 0.000 0.468 577 P HA 0.015 nan 4.420 nan 0.000 0.225 577 P C 0.225 177.558 177.300 0.054 0.000 1.148 577 P CA 0.871 63.997 63.100 0.044 0.000 0.779 577 P CB 0.113 31.831 31.700 0.030 0.000 0.780 578 D N -0.837 119.596 120.400 0.055 0.000 2.110 578 D HA -0.065 4.574 4.640 -0.001 0.000 0.202 578 D C 0.239 176.586 176.300 0.078 0.000 0.975 578 D CA 0.908 54.941 54.000 0.054 0.000 0.839 578 D CB -1.113 39.714 40.800 0.045 0.000 0.996 578 D HN 0.101 nan 8.370 nan 0.000 0.464 579 D N 1.859 122.333 120.400 0.124 0.000 2.877 579 D HA -0.054 4.585 4.640 -0.001 0.000 0.220 579 D C 0.077 176.483 176.300 0.177 0.000 1.089 579 D CA 0.974 55.106 54.000 0.220 0.000 0.811 579 D CB 0.300 41.341 40.800 0.403 0.000 1.162 579 D HN 0.188 nan 8.370 nan 0.000 0.513 580 E N 2.131 122.323 120.200 -0.014 0.000 2.210 580 E HA 0.326 4.675 4.350 -0.001 0.000 0.266 580 E C -2.368 173.868 176.600 -0.606 0.000 0.883 580 E CA -2.104 54.197 56.400 -0.165 0.000 0.761 580 E CB 1.672 31.308 29.700 -0.106 0.000 1.156 580 E HN 0.106 nan 8.360 nan 0.000 0.412 581 P HA 0.012 nan 4.420 nan 0.000 0.261 581 P C -2.377 174.606 177.300 -0.529 0.000 1.203 581 P CA -0.679 61.858 63.100 -0.938 0.000 0.767 581 P CB -0.208 31.311 31.700 -0.302 0.000 0.785 582 P HA 0.017 nan 4.420 nan 0.000 0.272 582 P C -0.420 176.804 177.300 -0.126 0.000 1.223 582 P CA -0.157 62.806 63.100 -0.228 0.000 0.784 582 P CB 0.785 32.394 31.700 -0.151 0.000 0.923 583 Q N 1.550 121.305 119.800 -0.076 0.000 2.293 583 Q HA 0.264 4.603 4.340 -0.001 0.000 0.251 583 Q C -0.446 175.551 176.000 -0.004 0.000 0.930 583 Q CA -0.562 55.217 55.803 -0.040 0.000 0.893 583 Q CB 0.410 29.127 28.738 -0.037 0.000 1.215 583 Q HN 0.418 nan 8.270 nan 0.000 0.425 584 L N 2.749 123.980 121.223 0.013 0.000 2.397 584 L HA 0.263 4.603 4.340 -0.001 0.000 0.271 584 L C 0.109 177.005 176.870 0.044 0.000 1.148 584 L CA -0.187 54.690 54.840 0.062 0.000 0.825 584 L CB 1.111 43.210 42.059 0.066 0.000 1.117 584 L HN 0.764 nan 8.230 nan 0.000 0.456 585 S N -0.495 115.266 115.700 0.101 0.000 2.599 585 S HA 0.538 5.007 4.470 -0.001 0.000 0.294 585 S C -0.307 174.391 174.600 0.163 0.000 1.094 585 S CA -0.871 57.377 58.200 0.080 0.000 0.931 585 S CB 1.684 64.923 63.200 0.065 0.000 1.093 585 S HN 0.645 nan 8.310 nan 0.000 0.488 586 T N 0.624 115.251 114.554 0.121 0.000 2.940 586 T HA 0.374 4.723 4.350 -0.001 0.000 0.309 586 T C 0.049 174.879 174.700 0.216 0.000 1.056 586 T CA -0.464 61.752 62.100 0.195 0.000 1.137 586 T CB -0.450 68.478 68.868 0.101 0.000 0.976 586 T HN 0.553 nan 8.240 nan 0.000 0.547 587 L N 4.794 126.181 121.223 0.273 0.000 2.325 587 L HA 0.485 4.825 4.340 -0.001 0.000 0.279 587 L C -1.716 175.206 176.870 0.086 0.000 1.054 587 L CA -2.479 52.429 54.840 0.114 0.000 0.804 587 L CB 1.501 43.534 42.059 -0.044 0.000 1.200 587 L HN 0.568 nan 8.230 nan 0.000 0.436 588 P HA 0.141 nan 4.420 nan 0.000 0.279 588 P C -0.744 176.596 177.300 0.067 0.000 1.252 588 P CA -0.462 62.675 63.100 0.063 0.000 0.811 588 P CB 0.975 32.707 31.700 0.054 0.000 1.035 589 T N 2.671 117.271 114.554 0.077 0.000 2.814 589 T HA 0.266 4.615 4.350 -0.001 0.000 0.297 589 T C 0.480 175.249 174.700 0.114 0.000 0.956 589 T CA -0.021 62.142 62.100 0.105 0.000 1.123 589 T CB -0.173 68.748 68.868 0.089 0.000 0.902 589 T HN 0.171 nan 8.240 nan 0.000 0.528 590 I N 4.022 124.676 120.570 0.140 0.000 2.353 590 I HA 0.382 4.551 4.170 -0.001 0.000 0.293 590 I C -0.035 176.179 176.117 0.161 0.000 0.992 590 I CA -0.657 60.727 61.300 0.141 0.000 1.268 590 I CB 1.362 39.459 38.000 0.163 0.000 1.387 590 I HN 0.286 nan 8.210 nan 0.000 0.478 591 V N 6.921 126.902 119.914 0.110 0.000 2.487 591 V HA 0.389 4.508 4.120 -0.001 0.000 0.298 591 V C -0.096 176.034 176.094 0.060 0.000 1.028 591 V CA -0.704 61.653 62.300 0.096 0.000 0.860 591 V CB 2.448 34.294 31.823 0.039 0.000 0.991 591 V HN 0.433 nan 8.190 nan 0.000 0.427 592 V N 5.780 125.737 119.914 0.071 0.000 2.357 592 V HA 0.500 4.619 4.120 -0.001 0.000 0.284 592 V C -0.132 175.971 176.094 0.015 0.000 1.018 592 V CA -0.637 61.687 62.300 0.040 0.000 0.841 592 V CB 1.695 33.552 31.823 0.056 0.000 0.991 592 V HN 0.730 nan 8.190 nan 0.000 0.437 593 V N 4.014 123.919 119.914 -0.016 0.000 2.384 593 V HA 0.744 4.864 4.120 -0.001 0.000 0.287 593 V C -0.472 175.615 176.094 -0.011 0.000 1.020 593 V CA -0.535 61.751 62.300 -0.022 0.000 0.850 593 V CB 1.707 33.495 31.823 -0.059 0.000 0.987 593 V HN 0.466 nan 8.190 nan 0.000 0.436 594 V N 4.911 124.834 119.914 0.015 0.000 2.311 594 V HA 0.297 4.416 4.120 -0.001 0.000 0.275 594 V C 1.098 177.248 176.094 0.093 0.000 1.022 594 V CA -0.016 62.316 62.300 0.054 0.000 0.830 594 V CB 0.706 32.579 31.823 0.084 0.000 1.012 594 V HN 1.058 nan 8.190 nan 0.000 0.452 595 D N 3.834 124.272 120.400 0.064 0.000 2.106 595 D HA -0.175 4.464 4.640 -0.001 0.000 0.191 595 D C 1.014 177.375 176.300 0.101 0.000 0.997 595 D CA 1.659 55.699 54.000 0.066 0.000 0.834 595 D CB 0.436 41.259 40.800 0.037 0.000 0.956 595 D HN 0.647 nan 8.370 nan 0.000 0.448 596 E N -0.658 119.601 120.200 0.099 0.000 3.132 596 E HA 0.117 4.466 4.350 -0.001 0.000 0.241 596 E C 0.283 176.929 176.600 0.077 0.000 1.196 596 E CA -0.505 55.935 56.400 0.066 0.000 0.869 596 E CB -0.831 28.874 29.700 0.008 0.000 1.387 596 E HN 0.249 nan 8.360 nan 0.000 0.393 597 F N 1.389 121.344 119.950 0.008 0.000 2.494 597 F HA 0.094 4.621 4.527 -0.001 0.000 0.298 597 F C 1.439 177.241 175.800 0.004 0.000 1.106 597 F CA 0.847 58.850 58.000 0.005 0.000 1.452 597 F CB -0.132 38.872 39.000 0.006 0.000 1.085 597 F HN 0.338 nan 8.300 nan 0.000 0.569 598 A N 0.623 123.142 122.820 -0.501 0.000 1.929 598 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 598 A C 1.975 179.467 177.584 -0.153 0.000 1.176 598 A CA 1.522 53.319 52.037 -0.399 0.000 0.628 598 A CB -0.783 17.976 19.000 -0.401 0.000 0.816 598 A HN 0.392 nan 8.150 nan 0.000 0.444 599 D N -0.695 119.647 120.400 -0.097 0.000 2.144 599 D HA -0.133 4.507 4.640 -0.001 0.000 0.200 599 D C 1.903 178.195 176.300 -0.012 0.000 0.978 599 D CA 1.209 55.184 54.000 -0.043 0.000 0.833 599 D CB -0.271 40.513 40.800 -0.025 0.000 0.961 599 D HN 0.468 nan 8.370 nan 0.000 0.470 600 M N -0.199 119.411 119.600 0.017 0.000 2.117 600 M HA -0.142 4.337 4.480 -0.001 0.000 0.262 600 M C 2.135 178.456 176.300 0.035 0.000 1.065 600 M CA 1.130 56.453 55.300 0.039 0.000 1.114 600 M CB 0.021 32.667 32.600 0.078 0.000 1.361 600 M HN -0.040 nan 8.290 nan 0.000 0.408 601 M N -0.594 119.030 119.600 0.040 0.000 2.117 601 M HA -0.285 4.194 4.480 -0.001 0.000 0.262 601 M C 2.373 178.676 176.300 0.006 0.000 1.065 601 M CA 1.798 57.118 55.300 0.034 0.000 1.114 601 M CB -0.499 32.121 32.600 0.033 0.000 1.361 601 M HN 0.453 nan 8.290 nan 0.000 0.408 602 M N 0.512 120.104 119.600 -0.013 0.000 2.086 602 M HA -0.216 4.264 4.480 -0.001 0.000 0.261 602 M C 1.930 178.225 176.300 -0.007 0.000 1.067 602 M CA 1.895 57.185 55.300 -0.016 0.000 1.116 602 M CB -0.141 32.442 32.600 -0.029 0.000 1.348 602 M HN 0.213 nan 8.290 nan 0.000 0.407 603 I N -0.762 119.806 120.570 -0.004 0.000 2.286 603 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 603 I C 2.111 178.230 176.117 0.003 0.000 1.104 603 I CA 0.750 62.049 61.300 -0.001 0.000 1.397 603 I CB -0.213 37.787 38.000 0.000 0.000 1.072 603 I HN 0.143 nan 8.210 nan 0.000 0.417 604 V N -0.136 119.783 119.914 0.009 0.000 2.426 604 V HA 0.308 4.427 4.120 -0.001 0.000 0.242 604 V C 1.034 177.134 176.094 0.011 0.000 1.036 604 V CA 1.135 63.442 62.300 0.011 0.000 1.044 604 V CB -0.529 31.304 31.823 0.017 0.000 0.688 604 V HN 0.661 nan 8.190 nan 0.000 0.462 605 G N 0.536 109.344 108.800 0.013 0.000 2.331 605 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.479 605 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.479 605 G C 0.441 175.351 174.900 0.016 0.000 1.262 605 G CA -0.000 45.107 45.100 0.012 0.000 1.029 605 G HN 0.323 nan 8.290 nan 0.000 0.487 606 K N 0.179 120.587 120.400 0.013 0.000 2.160 606 K HA -0.123 4.196 4.320 -0.001 0.000 0.206 606 K C 1.992 178.601 176.600 0.014 0.000 1.047 606 K CA 1.842 58.137 56.287 0.014 0.000 0.930 606 K CB -0.160 32.345 32.500 0.008 0.000 0.720 606 K HN 0.422 nan 8.250 nan 0.000 0.450 607 K N 0.959 121.366 120.400 0.012 0.000 2.209 607 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 607 K C 2.045 178.654 176.600 0.015 0.000 1.048 607 K CA 1.230 57.523 56.287 0.010 0.000 0.940 607 K CB -0.101 32.404 32.500 0.009 0.000 0.729 607 K HN 0.014 nan 8.250 nan 0.000 0.451 608 V N 1.494 121.423 119.914 0.025 0.000 2.261 608 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 608 V C 2.346 178.459 176.094 0.032 0.000 1.047 608 V CA 2.022 64.344 62.300 0.036 0.000 1.015 608 V CB -0.440 31.418 31.823 0.058 0.000 0.642 608 V HN 0.421 nan 8.190 nan 0.000 0.446 609 E N 0.278 120.503 120.200 0.041 0.000 2.070 609 E HA -0.298 4.051 4.350 -0.001 0.000 0.197 609 E C 2.135 178.736 176.600 0.002 0.000 1.004 609 E CA 1.968 58.389 56.400 0.035 0.000 0.805 609 E CB -0.141 29.586 29.700 0.044 0.000 0.744 609 E HN 0.736 nan 8.360 nan 0.000 0.451 610 E N 0.389 120.589 120.200 -0.000 0.000 2.077 610 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 610 E C 2.343 178.928 176.600 -0.024 0.000 0.989 610 E CA 1.189 57.581 56.400 -0.013 0.000 0.800 610 E CB -0.099 29.595 29.700 -0.009 0.000 0.746 610 E HN 0.338 nan 8.360 nan 0.000 0.452 611 L N 0.837 122.049 121.223 -0.017 0.000 1.994 611 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 611 L C 2.467 179.309 176.870 -0.047 0.000 1.071 611 L CA 0.651 55.476 54.840 -0.024 0.000 0.745 611 L CB -0.392 41.663 42.059 -0.006 0.000 0.892 611 L HN 0.203 nan 8.230 nan 0.000 0.431 612 I N 0.383 120.923 120.570 -0.051 0.000 2.113 612 I HA -0.363 3.806 4.170 -0.001 0.000 0.242 612 I C 2.858 178.900 176.117 -0.124 0.000 1.064 612 I CA 1.913 63.155 61.300 -0.097 0.000 1.320 612 I CB -1.389 36.547 38.000 -0.106 0.000 1.028 612 I HN 0.256 nan 8.210 nan 0.000 0.406 613 A N 0.604 123.370 122.820 -0.089 0.000 1.908 613 A HA -0.273 4.046 4.320 -0.001 0.000 0.218 613 A C 2.512 180.040 177.584 -0.092 0.000 1.181 613 A CA 2.178 54.163 52.037 -0.087 0.000 0.627 613 A CB -0.720 18.248 19.000 -0.054 0.000 0.818 613 A HN 0.409 nan 8.150 nan 0.000 0.445 614 R N -0.451 120.003 120.500 -0.077 0.000 2.081 614 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 614 R C 1.903 178.151 176.300 -0.087 0.000 1.131 614 R CA 1.690 57.746 56.100 -0.073 0.000 0.960 614 R CB -0.303 29.962 30.300 -0.058 0.000 0.856 614 R HN 0.454 nan 8.270 nan 0.000 0.436 615 I N 0.935 121.444 120.570 -0.102 0.000 2.113 615 I HA -0.192 3.978 4.170 -0.001 0.000 0.238 615 I C 2.437 178.441 176.117 -0.189 0.000 1.070 615 I CA 1.700 62.932 61.300 -0.114 0.000 1.332 615 I CB -1.535 36.393 38.000 -0.120 0.000 1.044 615 I HN 0.322 nan 8.210 nan 0.000 0.402 616 A N -0.026 122.590 122.820 -0.339 0.000 2.076 616 A HA -0.231 4.089 4.320 -0.001 0.000 0.220 616 A C 2.237 179.712 177.584 -0.182 0.000 1.160 616 A CA 1.419 53.125 52.037 -0.552 0.000 0.653 616 A CB -0.602 18.097 19.000 -0.503 0.000 0.801 616 A HN 0.528 nan 8.150 nan 0.000 0.455 617 Q N -0.585 119.152 119.800 -0.104 0.000 2.389 617 Q HA 0.013 4.352 4.340 -0.001 0.000 0.204 617 Q C 1.506 177.494 176.000 -0.020 0.000 0.944 617 Q CA 1.538 57.314 55.803 -0.046 0.000 0.908 617 Q CB 0.055 28.757 28.738 -0.059 0.000 1.002 617 Q HN 0.740 nan 8.270 nan 0.000 0.493 618 K N -1.922 118.470 120.400 -0.013 0.000 2.567 618 K HA 0.261 4.580 4.320 -0.001 0.000 0.218 618 K C 1.477 178.157 176.600 0.132 0.000 1.440 618 K CA 0.646 56.927 56.287 -0.010 0.000 0.995 618 K CB 0.322 32.740 32.500 -0.137 0.000 1.186 618 K HN 0.026 nan 8.250 nan 0.000 0.593 619 A N 1.855 124.753 122.820 0.130 0.000 2.019 619 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 619 A C 1.959 179.553 177.584 0.017 0.000 1.164 619 A CA 1.336 53.446 52.037 0.123 0.000 0.644 619 A CB -0.501 18.552 19.000 0.089 0.000 0.805 619 A HN 0.356 nan 8.150 nan 0.000 0.449 620 R N -0.125 120.391 120.500 0.026 0.000 2.171 620 R HA -0.246 4.093 4.340 -0.001 0.000 0.232 620 R C 2.266 178.527 176.300 -0.065 0.000 1.116 620 R CA 2.194 58.228 56.100 -0.109 0.000 0.901 620 R CB -0.672 29.628 30.300 -0.001 0.000 0.850 620 R HN 0.414 nan 8.270 nan 0.000 0.431 621 A N 0.246 123.088 122.820 0.037 0.000 1.986 621 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 621 A C 2.220 179.675 177.584 -0.214 0.000 1.171 621 A CA 1.955 53.976 52.037 -0.025 0.000 0.640 621 A CB -0.727 18.316 19.000 0.072 0.000 0.811 621 A HN 0.655 nan 8.150 nan 0.000 0.451 622 A N -1.955 120.670 122.820 -0.325 0.000 2.238 622 A HA 0.401 4.720 4.320 -0.001 0.000 0.208 622 A C 1.821 179.271 177.584 -0.223 0.000 1.177 622 A CA 1.200 52.981 52.037 -0.427 0.000 0.804 622 A CB -0.934 17.791 19.000 -0.457 0.000 0.823 622 A HN 1.953 nan 8.150 nan 0.000 0.482 623 G N -1.271 107.439 108.800 -0.151 0.000 2.147 623 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.244 623 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.244 623 G C -0.077 174.800 174.900 -0.037 0.000 1.005 623 G CA 0.384 45.476 45.100 -0.013 0.000 0.713 623 G HN 0.432 nan 8.290 nan 0.000 0.515 624 I N 0.895 121.319 120.570 -0.243 0.000 2.354 624 I HA 0.606 4.775 4.170 -0.001 0.000 0.292 624 I C 0.051 175.973 176.117 -0.326 0.000 0.989 624 I CA -0.920 60.312 61.300 -0.113 0.000 1.188 624 I CB 1.490 39.468 38.000 -0.037 0.000 1.342 624 I HN 0.179 nan 8.210 nan 0.000 0.457 625 H N 5.584 124.708 119.070 0.090 0.000 2.637 625 H HA 0.611 5.166 4.556 -0.001 0.000 0.363 625 H C -1.205 174.227 175.328 0.174 0.000 1.131 625 H CA -0.803 55.308 56.048 0.105 0.000 1.183 625 H CB 1.611 31.349 29.762 -0.039 0.000 1.637 625 H HN 0.243 nan 8.280 nan 0.000 0.531 626 L N 3.227 124.729 121.223 0.466 0.000 2.295 626 L HA 0.355 4.694 4.340 -0.001 0.000 0.285 626 L C -0.738 176.212 176.870 0.134 0.000 1.035 626 L CA -0.389 54.583 54.840 0.221 0.000 0.806 626 L CB 0.989 43.100 42.059 0.087 0.000 1.214 626 L HN 0.601 nan 8.230 nan 0.000 0.426 627 I N 5.944 126.544 120.570 0.049 0.000 2.420 627 I HA 0.345 4.514 4.170 -0.001 0.000 0.282 627 I C -0.652 175.451 176.117 -0.023 0.000 1.019 627 I CA -0.305 61.007 61.300 0.021 0.000 1.130 627 I CB 1.357 39.366 38.000 0.015 0.000 1.262 627 I HN 0.368 nan 8.210 nan 0.000 0.454 628 L N 5.658 126.834 121.223 -0.078 0.000 2.325 628 L HA 0.787 5.126 4.340 -0.001 0.000 0.281 628 L C 0.142 177.035 176.870 0.037 0.000 1.004 628 L CA -0.468 54.269 54.840 -0.171 0.000 0.823 628 L CB 1.950 43.604 42.059 -0.675 0.000 1.236 628 L HN 0.633 nan 8.230 nan 0.000 0.415 629 A N 2.214 125.187 122.820 0.254 0.000 2.384 629 A HA 0.925 5.244 4.320 -0.001 0.000 0.312 629 A C -0.518 177.309 177.584 0.405 0.000 1.113 629 A CA -0.543 51.681 52.037 0.311 0.000 0.779 629 A CB 2.224 21.335 19.000 0.185 0.000 1.307 629 A HN 0.555 nan 8.150 nan 0.000 0.436 630 T N -0.633 114.068 114.554 0.246 0.000 2.830 630 T HA 0.396 4.745 4.350 -0.001 0.000 0.322 630 T C -0.496 174.228 174.700 0.039 0.000 1.501 630 T CA -0.300 61.823 62.100 0.039 0.000 1.036 630 T CB 1.448 70.167 68.868 -0.248 0.000 1.379 630 T HN 0.613 nan 8.240 nan 0.000 0.493 631 Q N 0.793 120.585 119.800 -0.013 0.000 2.247 631 Q HA 0.302 4.641 4.340 -0.001 0.000 0.211 631 Q C 0.543 176.531 176.000 -0.021 0.000 0.861 631 Q CA 0.044 55.849 55.803 0.003 0.000 0.949 631 Q CB 0.740 29.476 28.738 -0.004 0.000 1.115 631 Q HN 0.275 nan 8.270 nan 0.000 0.507 632 R N 1.689 122.150 120.500 -0.065 0.000 3.463 632 R HA 0.217 4.556 4.340 -0.001 0.000 0.303 632 R C -2.502 173.754 176.300 -0.074 0.000 1.370 632 R CA -1.626 54.429 56.100 -0.075 0.000 1.524 632 R CB 0.594 30.827 30.300 -0.111 0.000 1.389 632 R HN -0.042 nan 8.270 nan 0.000 0.640 633 P HA -0.034 nan 4.420 nan 0.000 0.252 633 P C -0.440 176.859 177.300 -0.002 0.000 1.694 633 P CA 0.321 63.423 63.100 0.003 0.000 1.163 633 P CB 0.326 32.046 31.700 0.034 0.000 1.934 634 S N -0.111 115.578 115.700 -0.019 0.000 2.689 634 S HA 0.334 4.803 4.470 -0.001 0.000 0.306 634 S C 1.092 175.693 174.600 0.001 0.000 1.104 634 S CA -0.765 57.428 58.200 -0.011 0.000 0.973 634 S CB 0.978 64.163 63.200 -0.025 0.000 1.121 634 S HN -0.034 nan 8.310 nan 0.000 0.523 635 V N 1.273 121.189 119.914 0.004 0.000 2.594 635 V HA -0.131 3.988 4.120 -0.001 0.000 0.253 635 V C 1.748 177.849 176.094 0.012 0.000 1.069 635 V CA 2.072 64.379 62.300 0.012 0.000 1.082 635 V CB -0.923 30.904 31.823 0.007 0.000 0.680 635 V HN 0.832 nan 8.190 nan 0.000 0.469 636 D N -0.293 120.106 120.400 -0.001 0.000 2.224 636 D HA -0.059 4.581 4.640 -0.001 0.000 0.205 636 D C 2.014 178.311 176.300 -0.006 0.000 0.965 636 D CA 0.975 54.972 54.000 -0.005 0.000 0.852 636 D CB 0.250 41.039 40.800 -0.018 0.000 0.947 636 D HN 0.401 nan 8.370 nan 0.000 0.494 637 V N 0.894 120.794 119.914 -0.023 0.000 2.484 637 V HA 0.039 4.158 4.120 -0.001 0.000 0.236 637 V C 1.403 177.560 176.094 0.105 0.000 1.062 637 V CA 0.360 62.627 62.300 -0.055 0.000 1.081 637 V CB 0.203 31.891 31.823 -0.225 0.000 0.751 637 V HN 0.034 nan 8.190 nan 0.000 0.484 638 I N 2.847 123.492 120.570 0.125 0.000 2.268 638 I HA 0.097 4.266 4.170 -0.001 0.000 0.298 638 I C 0.946 177.133 176.117 0.116 0.000 1.185 638 I CA -0.043 61.384 61.300 0.212 0.000 1.548 638 I CB -0.387 37.720 38.000 0.178 0.000 1.492 638 I HN 0.405 nan 8.210 nan 0.000 0.711 639 T N 0.335 114.956 114.554 0.112 0.000 2.754 639 T HA 0.256 4.606 4.350 -0.001 0.000 0.286 639 T C 1.558 176.284 174.700 0.043 0.000 0.997 639 T CA -0.091 62.047 62.100 0.063 0.000 0.982 639 T CB 1.588 70.490 68.868 0.057 0.000 1.027 639 T HN 0.478 nan 8.240 nan 0.000 0.529 640 G N -0.181 108.634 108.800 0.026 0.000 2.446 640 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.217 640 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.217 640 G C 1.481 176.385 174.900 0.006 0.000 1.168 640 G CA 0.608 45.717 45.100 0.013 0.000 0.771 640 G HN 0.683 nan 8.290 nan 0.000 0.551 641 L N 0.315 121.542 121.223 0.007 0.000 1.989 641 L HA -0.120 4.219 4.340 -0.001 0.000 0.211 641 L C 2.925 179.786 176.870 -0.015 0.000 1.071 641 L CA 0.917 55.754 54.840 -0.005 0.000 0.749 641 L CB -0.349 41.710 42.059 -0.000 0.000 0.890 641 L HN 0.162 nan 8.230 nan 0.000 0.431 642 I N 0.034 120.604 120.570 -0.000 0.000 2.179 642 I HA -0.300 3.870 4.170 -0.001 0.000 0.242 642 I C 2.478 178.570 176.117 -0.041 0.000 1.088 642 I CA 1.644 62.927 61.300 -0.029 0.000 1.357 642 I CB -1.085 36.926 38.000 0.019 0.000 1.051 642 I HN 0.321 nan 8.210 nan 0.000 0.409 643 K N 0.979 121.375 120.400 -0.007 0.000 2.148 643 K HA -0.083 4.236 4.320 -0.001 0.000 0.204 643 K C 2.226 178.819 176.600 -0.011 0.000 1.050 643 K CA 1.210 57.494 56.287 -0.005 0.000 0.942 643 K CB -0.233 32.274 32.500 0.012 0.000 0.724 643 K HN 0.277 nan 8.250 nan 0.000 0.446 644 A N 2.385 125.196 122.820 -0.014 0.000 1.916 644 A HA -0.290 4.030 4.320 -0.001 0.000 0.224 644 A C 1.238 178.815 177.584 -0.012 0.000 1.366 644 A CA 2.550 54.578 52.037 -0.015 0.000 0.692 644 A CB -0.669 18.317 19.000 -0.022 0.000 0.841 644 A HN 0.483 nan 8.150 nan 0.000 0.480 645 N N -1.649 117.038 118.700 -0.021 0.000 2.351 645 N HA 0.424 5.163 4.740 -0.001 0.000 0.254 645 N C -0.781 174.750 175.510 0.035 0.000 1.241 645 N CA -0.039 53.013 53.050 0.003 0.000 0.883 645 N CB 0.917 39.401 38.487 -0.005 0.000 1.202 645 N HN 0.406 nan 8.380 nan 0.000 0.512 646 I N 1.527 122.108 120.570 0.018 0.000 2.697 646 I HA 0.236 4.405 4.170 -0.001 0.000 0.279 646 I C -1.571 174.569 176.117 0.037 0.000 1.171 646 I CA -1.607 59.723 61.300 0.050 0.000 1.135 646 I CB 1.405 39.401 38.000 -0.007 0.000 1.445 646 I HN -0.056 nan 8.210 nan 0.000 0.541 647 P HA -0.048 nan 4.420 nan 0.000 0.223 647 P C 0.544 177.845 177.300 0.001 0.000 1.151 647 P CA 0.888 63.998 63.100 0.016 0.000 0.787 647 P CB 0.067 31.777 31.700 0.017 0.000 0.788 648 T N 3.012 117.580 114.554 0.023 0.000 2.780 648 T HA 0.319 4.668 4.350 -0.001 0.000 0.294 648 T C 0.313 175.027 174.700 0.025 0.000 0.949 648 T CA -0.300 61.809 62.100 0.014 0.000 1.074 648 T CB 0.643 69.554 68.868 0.072 0.000 0.910 648 T HN -0.002 nan 8.240 nan 0.000 0.501 649 R N 2.721 123.215 120.500 -0.009 0.000 2.686 649 R HA 0.617 4.956 4.340 -0.001 0.000 0.286 649 R C -1.203 175.110 176.300 0.022 0.000 0.969 649 R CA -0.892 55.212 56.100 0.007 0.000 0.898 649 R CB 1.835 32.126 30.300 -0.016 0.000 1.183 649 R HN 0.463 nan 8.270 nan 0.000 0.456 650 I N 1.130 121.711 120.570 0.018 0.000 2.465 650 I HA 0.505 4.674 4.170 -0.001 0.000 0.291 650 I C -0.653 175.381 176.117 -0.139 0.000 1.014 650 I CA -0.271 60.997 61.300 -0.052 0.000 1.093 650 I CB 2.151 40.088 38.000 -0.104 0.000 1.267 650 I HN 0.759 nan 8.210 nan 0.000 0.431 651 A N 6.343 129.041 122.820 -0.203 0.000 2.332 651 A HA 0.758 5.078 4.320 -0.001 0.000 0.300 651 A C -0.899 176.549 177.584 -0.226 0.000 1.153 651 A CA -0.363 51.587 52.037 -0.146 0.000 0.764 651 A CB 0.280 19.252 19.000 -0.047 0.000 1.174 651 A HN 0.453 nan 8.150 nan 0.000 0.467 652 F N 0.391 120.372 119.950 0.050 0.000 2.213 652 F HA 0.371 4.897 4.527 -0.001 0.000 0.297 652 F C 1.326 177.147 175.800 0.035 0.000 1.094 652 F CA 0.008 58.035 58.000 0.045 0.000 1.121 652 F CB 0.458 39.483 39.000 0.042 0.000 1.622 652 F HN 0.633 nan 8.300 nan 0.000 0.521 653 Q N 1.262 121.216 119.800 0.258 0.000 2.311 653 Q HA 0.409 4.749 4.340 -0.001 0.000 0.272 653 Q C -1.104 174.957 176.000 0.102 0.000 1.012 653 Q CA -0.386 55.495 55.803 0.130 0.000 0.891 653 Q CB 0.724 29.515 28.738 0.088 0.000 1.201 653 Q HN 0.531 nan 8.270 nan 0.000 0.391 654 V N 0.691 120.646 119.914 0.067 0.000 3.046 654 V HA 0.399 4.519 4.120 -0.001 0.000 0.316 654 V C 0.620 176.732 176.094 0.030 0.000 1.104 654 V CA -0.532 61.797 62.300 0.049 0.000 1.006 654 V CB 1.746 33.596 31.823 0.045 0.000 1.058 654 V HN 0.875 nan 8.190 nan 0.000 0.440 655 S N 1.288 117.001 115.700 0.020 0.000 2.399 655 S HA 0.018 4.487 4.470 -0.001 0.000 0.231 655 S C 0.825 175.431 174.600 0.009 0.000 1.022 655 S CA 1.318 59.525 58.200 0.012 0.000 0.983 655 S CB -0.391 62.813 63.200 0.006 0.000 0.803 655 S HN 1.397 nan 8.310 nan 0.000 0.480 656 S N -0.970 114.736 115.700 0.011 0.000 2.615 656 S HA 0.477 4.946 4.470 -0.001 0.000 0.269 656 S C 0.021 174.626 174.600 0.008 0.000 1.161 656 S CA -1.026 57.178 58.200 0.007 0.000 0.817 656 S CB 1.296 64.498 63.200 0.004 0.000 1.131 656 S HN -0.031 nan 8.310 nan 0.000 0.467 657 K N -0.101 120.302 120.400 0.004 0.000 2.103 657 K HA -0.083 4.236 4.320 -0.001 0.000 0.207 657 K C 1.576 178.178 176.600 0.004 0.000 1.048 657 K CA 1.798 58.087 56.287 0.003 0.000 0.930 657 K CB -0.696 31.804 32.500 -0.000 0.000 0.716 657 K HN 0.525 nan 8.250 nan 0.000 0.444 658 I N 1.894 122.466 120.570 0.003 0.000 2.127 658 I HA -0.292 3.878 4.170 -0.001 0.000 0.241 658 I C 1.779 177.900 176.117 0.007 0.000 1.075 658 I CA 1.644 62.946 61.300 0.004 0.000 1.334 658 I CB -0.527 37.474 38.000 0.002 0.000 1.040 658 I HN 0.075 nan 8.210 nan 0.000 0.405 659 D N -0.139 120.266 120.400 0.009 0.000 2.123 659 D HA -0.195 4.444 4.640 -0.001 0.000 0.196 659 D C 2.417 178.728 176.300 0.018 0.000 0.992 659 D CA 1.674 55.682 54.000 0.013 0.000 0.833 659 D CB -0.502 40.306 40.800 0.015 0.000 0.954 659 D HN 0.251 nan 8.370 nan 0.000 0.455 660 S N -0.111 115.598 115.700 0.015 0.000 2.359 660 S HA -0.180 4.289 4.470 -0.001 0.000 0.224 660 S C 1.892 176.498 174.600 0.010 0.000 1.035 660 S CA 1.086 59.295 58.200 0.014 0.000 1.018 660 S CB -0.001 63.205 63.200 0.010 0.000 0.876 660 S HN 0.174 nan 8.310 nan 0.000 0.448 661 R N -0.108 120.396 120.500 0.008 0.000 2.120 661 R HA -0.044 4.295 4.340 -0.001 0.000 0.234 661 R C 2.423 178.729 176.300 0.011 0.000 1.123 661 R CA 1.706 57.810 56.100 0.006 0.000 0.975 661 R CB -0.962 29.340 30.300 0.004 0.000 0.866 661 R HN 0.405 nan 8.270 nan 0.000 0.446 662 T N 1.406 115.970 114.554 0.016 0.000 2.759 662 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 662 T C 1.656 176.377 174.700 0.036 0.000 1.042 662 T CA 1.005 63.120 62.100 0.025 0.000 1.140 662 T CB -0.022 68.861 68.868 0.025 0.000 0.864 662 T HN 0.126 nan 8.240 nan 0.000 0.455 663 I N -0.046 120.545 120.570 0.035 0.000 2.927 663 I HA 0.229 4.398 4.170 -0.001 0.000 0.268 663 I C 1.385 177.513 176.117 0.019 0.000 1.153 663 I CA 1.012 62.337 61.300 0.042 0.000 1.459 663 I CB -0.195 37.836 38.000 0.051 0.000 1.149 663 I HN 0.222 nan 8.210 nan 0.000 0.443 664 L N 0.267 121.493 121.223 0.006 0.000 2.616 664 L HA 0.159 4.498 4.340 -0.001 0.000 0.229 664 L C -0.136 176.727 176.870 -0.012 0.000 1.110 664 L CA 0.041 54.874 54.840 -0.011 0.000 0.884 664 L CB -0.050 41.998 42.059 -0.019 0.000 1.115 664 L HN 0.105 nan 8.230 nan 0.000 0.481 665 D N 1.559 121.957 120.400 -0.003 0.000 2.772 665 D HA -0.235 4.404 4.640 -0.001 0.000 0.233 665 D C 0.203 176.497 176.300 -0.009 0.000 1.143 665 D CA 0.998 54.995 54.000 -0.005 0.000 0.700 665 D CB -0.787 40.009 40.800 -0.007 0.000 1.076 665 D HN 0.582 nan 8.370 nan 0.000 0.430 666 Q N -1.271 118.524 119.800 -0.008 0.000 2.686 666 Q HA 0.453 4.792 4.340 -0.001 0.000 0.266 666 Q C -0.534 175.462 176.000 -0.007 0.000 0.965 666 Q CA -0.345 55.452 55.803 -0.010 0.000 0.894 666 Q CB 0.812 29.540 28.738 -0.017 0.000 1.583 666 Q HN 0.124 nan 8.270 nan 0.000 0.405 667 G N -0.138 108.659 108.800 -0.006 0.000 2.599 667 G HA2 0.574 4.533 3.960 -0.001 0.000 0.264 667 G HA3 0.574 4.533 3.960 -0.001 0.000 0.264 667 G C 0.659 175.557 174.900 -0.002 0.000 1.200 667 G CA 0.479 45.577 45.100 -0.003 0.000 0.896 667 G HN 1.272 nan 8.290 nan 0.000 0.536 668 G N -0.760 108.042 108.800 0.002 0.000 3.638 668 G HA2 0.116 4.075 3.960 -0.001 0.000 0.196 668 G HA3 0.116 4.075 3.960 -0.001 0.000 0.196 668 G C 1.585 176.493 174.900 0.013 0.000 1.315 668 G CA 0.878 45.981 45.100 0.005 0.000 0.944 668 G HN 1.627 nan 8.290 nan 0.000 0.434 669 A N 1.458 124.285 122.820 0.012 0.000 2.139 669 A HA 0.042 4.362 4.320 -0.001 0.000 0.221 669 A C 2.002 179.606 177.584 0.033 0.000 1.159 669 A CA 2.428 54.478 52.037 0.022 0.000 0.662 669 A CB -0.491 18.520 19.000 0.019 0.000 0.796 669 A HN 0.842 nan 8.150 nan 0.000 0.463 670 E N -0.463 119.752 120.200 0.025 0.000 2.285 670 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 670 E C 1.081 177.697 176.600 0.026 0.000 0.997 670 E CA 0.800 57.214 56.400 0.024 0.000 0.845 670 E CB -0.377 29.331 29.700 0.015 0.000 0.782 670 E HN 0.608 nan 8.360 nan 0.000 0.491 671 Q N 0.671 120.488 119.800 0.028 0.000 2.425 671 Q HA 0.229 4.569 4.340 -0.001 0.000 0.204 671 Q C 0.916 176.945 176.000 0.049 0.000 0.933 671 Q CA 0.011 55.833 55.803 0.032 0.000 0.939 671 Q CB 0.205 28.959 28.738 0.027 0.000 1.044 671 Q HN 0.361 nan 8.270 nan 0.000 0.513 672 L N 0.590 121.848 121.223 0.058 0.000 2.473 672 L HA 0.012 4.352 4.340 -0.001 0.000 0.268 672 L C 1.375 178.295 176.870 0.082 0.000 1.215 672 L CA -0.070 54.821 54.840 0.085 0.000 0.823 672 L CB 0.317 42.437 42.059 0.102 0.000 1.099 672 L HN 0.054 nan 8.230 nan 0.000 0.483 673 L N 1.400 122.687 121.223 0.106 0.000 2.592 673 L HA 0.254 4.593 4.340 -0.001 0.000 0.227 673 L C 1.040 177.940 176.870 0.051 0.000 1.127 673 L CA 0.249 55.140 54.840 0.084 0.000 0.884 673 L CB -0.730 41.393 42.059 0.107 0.000 1.065 673 L HN 0.956 nan 8.230 nan 0.000 0.457 674 G N -0.456 108.377 108.800 0.055 0.000 2.725 674 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.220 674 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.220 674 G C -0.162 174.761 174.900 0.039 0.000 1.357 674 G CA -0.426 44.651 45.100 -0.039 0.000 0.866 674 G HN 0.397 nan 8.290 nan 0.000 0.548 675 H N -0.719 118.380 119.070 0.048 0.000 2.604 675 H HA -0.146 4.409 4.556 -0.001 0.000 0.321 675 H C 2.096 177.474 175.328 0.084 0.000 1.132 675 H CA 2.811 58.884 56.048 0.042 0.000 1.129 675 H CB -1.491 28.290 29.762 0.032 0.000 1.526 675 H HN 2.710 nan 8.280 nan 0.000 0.415 676 G N -0.354 108.541 108.800 0.158 0.000 2.199 676 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.254 676 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.254 676 G C 0.102 175.272 174.900 0.450 0.000 0.982 676 G CA 0.333 45.578 45.100 0.242 0.000 0.632 676 G HN 0.655 nan 8.290 nan 0.000 0.529 677 D N 1.391 122.016 120.400 0.375 0.000 2.417 677 D HA 0.518 5.157 4.640 -0.001 0.000 0.250 677 D C 0.952 177.438 176.300 0.310 0.000 1.166 677 D CA 0.635 54.841 54.000 0.343 0.000 0.881 677 D CB 0.148 41.118 40.800 0.283 0.000 1.164 677 D HN 0.715 nan 8.370 nan 0.000 0.467 678 M N 1.657 121.334 119.600 0.128 0.000 2.664 678 M HA 0.504 4.983 4.480 -0.001 0.000 0.279 678 M C -1.780 174.471 176.300 -0.082 0.000 1.275 678 M CA -1.031 54.217 55.300 -0.086 0.000 0.829 678 M CB 1.771 34.101 32.600 -0.450 0.000 1.727 678 M HN 0.097 nan 8.290 nan 0.000 0.459 679 L N 2.567 123.726 121.223 -0.107 0.000 2.319 679 L HA 0.478 4.817 4.340 -0.001 0.000 0.281 679 L C -1.666 175.189 176.870 -0.024 0.000 1.005 679 L CA -0.775 54.036 54.840 -0.048 0.000 0.828 679 L CB 1.577 43.612 42.059 -0.040 0.000 1.227 679 L HN 0.695 nan 8.230 nan 0.000 0.415 680 Y N 5.217 125.448 120.300 -0.115 0.000 2.367 680 Y HA 0.486 5.036 4.550 -0.001 0.000 0.342 680 Y C -1.037 174.827 175.900 -0.060 0.000 0.979 680 Y CA -0.979 57.063 58.100 -0.097 0.000 1.161 680 Y CB 1.347 39.760 38.460 -0.080 0.000 1.155 680 Y HN 0.459 nan 8.280 nan 0.000 0.503 681 L N 10.857 131.809 121.223 -0.451 0.000 2.356 681 L HA 0.581 4.920 4.340 -0.001 0.000 0.264 681 L C -2.594 173.964 176.870 -0.520 0.000 1.029 681 L CA -2.428 52.146 54.840 -0.442 0.000 0.897 681 L CB 0.681 42.622 42.059 -0.198 0.000 1.256 681 L HN 0.468 nan 8.230 nan 0.000 0.444 682 P HA 0.279 nan 4.420 nan 0.000 0.274 682 P C -2.713 174.476 177.300 -0.185 0.000 1.256 682 P CA -1.362 61.499 63.100 -0.399 0.000 0.795 682 P CB -0.262 31.231 31.700 -0.344 0.000 1.038 683 P HA 0.106 nan 4.420 nan 0.000 0.268 683 P C 0.547 177.819 177.300 -0.047 0.000 1.208 683 P CA 1.049 64.119 63.100 -0.050 0.000 0.777 683 P CB -0.153 31.539 31.700 -0.014 0.000 0.875 684 G N 1.022 109.800 108.800 -0.036 0.000 2.710 684 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.668 684 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.668 684 G C -0.164 174.714 174.900 -0.038 0.000 1.320 684 G CA -0.429 44.653 45.100 -0.030 0.000 0.860 684 G HN 0.649 nan 8.290 nan 0.000 0.538 685 T N 0.211 114.748 114.554 -0.029 0.000 2.640 685 T HA 0.600 4.950 4.350 -0.001 0.000 0.316 685 T C 1.021 175.698 174.700 -0.038 0.000 1.036 685 T CA 2.103 64.185 62.100 -0.030 0.000 1.009 685 T CB 0.357 69.213 68.868 -0.021 0.000 1.017 685 T HN 2.588 nan 8.240 nan 0.000 0.530 686 G N 0.025 108.803 108.800 -0.037 0.000 2.885 686 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.685 686 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.685 686 G C -0.973 173.896 174.900 -0.052 0.000 1.216 686 G CA -1.117 43.958 45.100 -0.042 0.000 0.790 686 G HN 0.715 nan 8.290 nan 0.000 0.631 687 L N 3.638 124.835 121.223 -0.044 0.000 2.426 687 L HA 0.359 4.698 4.340 -0.001 0.000 0.271 687 L C -0.833 176.000 176.870 -0.062 0.000 1.169 687 L CA -1.544 53.270 54.840 -0.044 0.000 0.836 687 L CB 0.378 42.419 42.059 -0.030 0.000 1.112 687 L HN 0.493 nan 8.230 nan 0.000 0.465 688 P HA 0.036 nan 4.420 nan 0.000 0.269 688 P C -0.807 176.462 177.300 -0.053 0.000 1.217 688 P CA -0.124 62.922 63.100 -0.091 0.000 0.783 688 P CB 0.806 32.462 31.700 -0.074 0.000 0.898 689 I N 1.784 122.334 120.570 -0.033 0.000 2.312 689 I HA 0.289 4.458 4.170 -0.001 0.000 0.290 689 I C 1.221 177.357 176.117 0.032 0.000 1.008 689 I CA -0.742 60.578 61.300 0.033 0.000 1.226 689 I CB 0.447 38.532 38.000 0.141 0.000 1.371 689 I HN 0.437 nan 8.210 nan 0.000 0.468 690 R N 5.593 126.081 120.500 -0.019 0.000 2.442 690 R HA 0.492 4.831 4.340 -0.001 0.000 0.291 690 R C -1.330 174.880 176.300 -0.149 0.000 1.069 690 R CA -0.104 55.951 56.100 -0.074 0.000 1.022 690 R CB 0.722 30.972 30.300 -0.084 0.000 0.976 690 R HN 0.449 nan 8.270 nan 0.000 0.443 691 V N 4.817 124.631 119.914 -0.168 0.000 2.709 691 V HA 0.239 4.358 4.120 -0.001 0.000 0.308 691 V C -0.713 175.277 176.094 -0.173 0.000 1.062 691 V CA -0.942 61.253 62.300 -0.174 0.000 0.901 691 V CB 1.879 33.672 31.823 -0.051 0.000 1.003 691 V HN 0.798 nan 8.190 nan 0.000 0.425 692 H N 3.065 122.209 119.070 0.123 0.000 2.741 692 H HA 0.346 4.901 4.556 -0.001 0.000 0.282 692 H C 0.763 176.167 175.328 0.126 0.000 1.122 692 H CA -0.109 56.023 56.048 0.139 0.000 1.293 692 H CB 1.175 31.022 29.762 0.142 0.000 1.415 692 H HN 0.859 nan 8.280 nan 0.000 0.472 693 G N 2.016 110.971 108.800 0.259 0.000 2.391 693 G HA2 0.212 4.171 3.960 -0.001 0.000 0.234 693 G HA3 0.212 4.171 3.960 -0.001 0.000 0.234 693 G C 0.307 175.296 174.900 0.148 0.000 1.284 693 G CA -0.120 45.106 45.100 0.209 0.000 0.873 693 G HN 0.750 nan 8.290 nan 0.000 0.549 694 A N 1.901 124.764 122.820 0.073 0.000 2.371 694 A HA 0.531 4.850 4.320 -0.001 0.000 0.257 694 A C -0.323 177.299 177.584 0.064 0.000 1.089 694 A CA -0.457 51.620 52.037 0.067 0.000 0.794 694 A CB 0.421 19.485 19.000 0.106 0.000 1.029 694 A HN 0.810 nan 8.150 nan 0.000 0.488 695 F N 3.071 123.016 119.950 -0.008 0.000 2.410 695 F HA 0.484 5.010 4.527 -0.001 0.000 0.348 695 F C 0.029 175.814 175.800 -0.026 0.000 1.106 695 F CA -0.392 57.591 58.000 -0.028 0.000 1.163 695 F CB 1.397 40.389 39.000 -0.013 0.000 1.129 695 F HN 0.441 nan 8.300 nan 0.000 0.516 696 V N 6.950 126.277 119.914 -0.977 0.000 2.482 696 V HA 0.547 4.666 4.120 -0.001 0.000 0.295 696 V C -0.587 174.958 176.094 -0.915 0.000 1.026 696 V CA -0.081 61.796 62.300 -0.705 0.000 0.856 696 V CB 1.148 32.666 31.823 -0.507 0.000 1.001 696 V HN 0.998 nan 8.190 nan 0.000 0.424 697 S N 3.516 118.821 115.700 -0.658 0.000 2.600 697 S HA 0.280 4.750 4.470 -0.001 0.000 0.265 697 S C 0.616 175.115 174.600 -0.169 0.000 1.325 697 S CA -0.006 57.989 58.200 -0.341 0.000 1.002 697 S CB 1.117 64.321 63.200 0.007 0.000 0.921 697 S HN 0.782 nan 8.310 nan 0.000 0.554 698 D N 0.597 120.945 120.400 -0.087 0.000 2.264 698 D HA -0.042 4.597 4.640 -0.001 0.000 0.208 698 D C 1.055 177.345 176.300 -0.016 0.000 0.966 698 D CA 0.947 54.910 54.000 -0.061 0.000 0.864 698 D CB -0.249 40.525 40.800 -0.044 0.000 0.933 698 D HN 0.558 nan 8.370 nan 0.000 0.499 699 D N 0.608 121.011 120.400 0.004 0.000 2.103 699 D HA -0.075 4.564 4.640 -0.001 0.000 0.199 699 D C 1.902 178.245 176.300 0.071 0.000 0.978 699 D CA 0.629 54.657 54.000 0.048 0.000 0.829 699 D CB -0.140 40.687 40.800 0.044 0.000 0.981 699 D HN 0.305 nan 8.370 nan 0.000 0.464 700 E N 0.228 120.456 120.200 0.047 0.000 2.118 700 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 700 E C 2.186 178.817 176.600 0.052 0.000 0.992 700 E CA 0.649 57.096 56.400 0.077 0.000 0.804 700 E CB 0.159 29.913 29.700 0.090 0.000 0.741 700 E HN 0.072 nan 8.360 nan 0.000 0.458 701 V N 0.367 120.272 119.914 -0.014 0.000 2.283 701 V HA -0.245 3.874 4.120 -0.001 0.000 0.243 701 V C 2.205 178.231 176.094 -0.113 0.000 1.039 701 V CA 2.166 64.409 62.300 -0.095 0.000 1.016 701 V CB -0.552 31.164 31.823 -0.177 0.000 0.650 701 V HN 0.320 nan 8.190 nan 0.000 0.449 702 H N 0.286 119.270 119.070 -0.143 0.000 2.390 702 H HA -0.198 4.357 4.556 -0.001 0.000 0.298 702 H C 2.448 177.737 175.328 -0.065 0.000 1.106 702 H CA 2.310 58.288 56.048 -0.116 0.000 1.297 702 H CB -0.042 29.673 29.762 -0.077 0.000 1.375 702 H HN 0.221 nan 8.280 nan 0.000 0.509 703 R N -0.590 119.904 120.500 -0.010 0.000 2.070 703 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 703 R C 2.382 178.647 176.300 -0.059 0.000 1.138 703 R CA 1.662 57.749 56.100 -0.021 0.000 0.936 703 R CB -0.320 30.016 30.300 0.060 0.000 0.839 703 R HN 0.228 nan 8.270 nan 0.000 0.429 704 V N 0.447 120.338 119.914 -0.038 0.000 2.469 704 V HA -0.225 3.895 4.120 -0.001 0.000 0.251 704 V C 2.284 178.366 176.094 -0.020 0.000 1.064 704 V CA 1.475 63.733 62.300 -0.070 0.000 1.066 704 V CB -0.365 31.339 31.823 -0.199 0.000 0.667 704 V HN 0.174 nan 8.190 nan 0.000 0.461 705 V N -0.244 119.620 119.914 -0.083 0.000 2.244 705 V HA -0.188 3.932 4.120 -0.001 0.000 0.244 705 V C 2.627 178.706 176.094 -0.025 0.000 1.042 705 V CA 1.879 64.148 62.300 -0.053 0.000 1.006 705 V CB -0.635 31.065 31.823 -0.205 0.000 0.641 705 V HN 0.506 nan 8.190 nan 0.000 0.446 706 E N 0.531 120.638 120.200 -0.154 0.000 2.097 706 E HA -0.244 4.105 4.350 -0.001 0.000 0.196 706 E C 2.327 178.903 176.600 -0.039 0.000 1.000 706 E CA 1.634 57.963 56.400 -0.119 0.000 0.804 706 E CB -0.701 28.888 29.700 -0.186 0.000 0.740 706 E HN 0.580 nan 8.360 nan 0.000 0.454 707 A N 0.031 122.820 122.820 -0.051 0.000 1.940 707 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 707 A C 2.089 179.619 177.584 -0.090 0.000 1.176 707 A CA 1.355 53.337 52.037 -0.092 0.000 0.631 707 A CB -1.007 17.908 19.000 -0.142 0.000 0.814 707 A HN 0.361 nan 8.150 nan 0.000 0.446 708 W N -0.328 120.964 121.300 -0.013 0.000 2.523 708 W HA 0.046 4.705 4.660 -0.001 0.000 0.278 708 W C 2.235 178.766 176.519 0.019 0.000 1.236 708 W CA 0.960 58.324 57.345 0.031 0.000 1.306 708 W CB 0.156 29.658 29.460 0.070 0.000 1.101 708 W HN 0.191 nan 8.180 nan 0.000 0.577 709 K N 0.226 120.768 120.400 0.236 0.000 2.209 709 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 709 K C 1.702 178.356 176.600 0.088 0.000 1.048 709 K CA 0.983 57.348 56.287 0.130 0.000 0.940 709 K CB -0.345 32.190 32.500 0.057 0.000 0.729 709 K HN 0.254 nan 8.250 nan 0.000 0.451 710 L N 0.157 121.420 121.223 0.066 0.000 2.095 710 L HA -0.083 4.256 4.340 -0.001 0.000 0.204 710 L C 2.022 178.919 176.870 0.044 0.000 1.080 710 L CA 0.975 55.832 54.840 0.029 0.000 0.759 710 L CB -0.212 41.843 42.059 -0.006 0.000 0.914 710 L HN 0.069 nan 8.230 nan 0.000 0.439 711 R N 0.308 120.850 120.500 0.070 0.000 2.357 711 R HA 0.090 4.429 4.340 -0.001 0.000 0.202 711 R C 0.281 176.674 176.300 0.155 0.000 1.047 711 R CA 0.464 56.618 56.100 0.091 0.000 1.034 711 R CB -0.133 30.192 30.300 0.041 0.000 0.875 711 R HN 0.401 nan 8.270 nan 0.000 0.473 712 G N -1.066 107.814 108.800 0.133 0.000 2.358 712 G HA2 0.382 4.341 3.960 -0.001 0.000 0.301 712 G HA3 0.382 4.341 3.960 -0.001 0.000 0.301 712 G C -1.716 173.210 174.900 0.043 0.000 1.539 712 G CA -0.457 44.692 45.100 0.083 0.000 0.893 712 G HN 0.142 nan 8.290 nan 0.000 0.636 713 A N 1.173 123.986 122.820 -0.013 0.000 2.264 713 A HA 0.937 5.256 4.320 -0.001 0.000 0.304 713 A C -2.048 175.459 177.584 -0.128 0.000 1.100 713 A CA -1.427 50.573 52.037 -0.063 0.000 0.839 713 A CB 0.582 19.536 19.000 -0.076 0.000 1.121 713 A HN 0.640 nan 8.150 nan 0.000 0.496 714 P HA 0.090 nan 4.420 nan 0.000 0.270 714 P C -1.146 175.851 177.300 -0.505 0.000 1.242 714 P CA 0.278 63.122 63.100 -0.427 0.000 0.768 714 P CB 0.623 31.882 31.700 -0.736 0.000 0.820 715 D N 3.830 124.067 120.400 -0.272 0.000 2.639 715 D HA 0.124 4.763 4.640 -0.001 0.000 0.233 715 D C -0.152 176.137 176.300 -0.018 0.000 1.161 715 D CA -0.566 53.343 54.000 -0.152 0.000 1.003 715 D CB -0.725 40.029 40.800 -0.076 0.000 1.034 715 D HN 0.262 nan 8.370 nan 0.000 0.514 716 Y N 1.063 121.330 120.300 -0.056 0.000 2.357 716 Y HA 0.246 4.795 4.550 -0.001 0.000 0.340 716 Y C 0.696 176.547 175.900 -0.083 0.000 1.260 716 Y CA -1.082 56.970 58.100 -0.080 0.000 1.425 716 Y CB 0.889 39.305 38.460 -0.073 0.000 1.326 716 Y HN 0.093 nan 8.280 nan 0.000 0.580 717 I N 1.124 121.720 120.570 0.044 0.000 2.778 717 I HA 0.055 4.224 4.170 -0.001 0.000 0.285 717 I C 0.973 177.039 176.117 -0.085 0.000 1.236 717 I CA -0.105 61.175 61.300 -0.032 0.000 1.089 717 I CB 0.772 38.711 38.000 -0.101 0.000 1.601 717 I HN 0.662 nan 8.210 nan 0.000 0.573 718 E N 1.803 121.989 120.200 -0.022 0.000 2.324 718 E HA -0.352 3.997 4.350 -0.001 0.000 0.205 718 E C 1.529 178.092 176.600 -0.062 0.000 1.031 718 E CA 1.841 58.214 56.400 -0.044 0.000 0.836 718 E CB 0.261 29.962 29.700 0.001 0.000 0.742 718 E HN 0.669 nan 8.360 nan 0.000 0.491 719 D N 0.584 120.960 120.400 -0.040 0.000 2.133 719 D HA -0.214 4.426 4.640 -0.001 0.000 0.195 719 D C 1.958 178.234 176.300 -0.040 0.000 0.997 719 D CA 1.329 55.331 54.000 0.003 0.000 0.840 719 D CB -0.353 40.492 40.800 0.075 0.000 0.947 719 D HN 0.441 nan 8.370 nan 0.000 0.452 720 I N -0.128 120.288 120.570 -0.256 0.000 2.208 720 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 720 I C 1.940 177.930 176.117 -0.211 0.000 1.097 720 I CA 1.114 62.117 61.300 -0.496 0.000 1.363 720 I CB 0.003 37.385 38.000 -1.031 0.000 1.051 720 I HN 0.065 nan 8.210 nan 0.000 0.413 721 L N 0.699 121.814 121.223 -0.180 0.000 2.554 721 L HA 0.164 4.503 4.340 -0.001 0.000 0.226 721 L C 0.970 177.812 176.870 -0.047 0.000 1.137 721 L CA 0.010 54.784 54.840 -0.110 0.000 0.863 721 L CB -0.469 41.511 42.059 -0.131 0.000 0.985 721 L HN 0.290 nan 8.230 nan 0.000 0.451 722 A N 0.000 122.805 122.820 -0.025 0.000 2.254 722 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 722 A CA 0.000 52.039 52.037 0.003 0.000 0.836 722 A CB 0.000 19.000 19.000 0.000 0.000 0.831 722 A HN 0.000 nan 8.150 nan 0.000 0.486