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 1ld8_1_B DATA FIRST_RESID 517 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP EGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYDIINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKRER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV LGVPENALQP THPVYNIGPD KVIQATTYFL DATA SEQUENCE QKPVPGF 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 517 P HA 0.000 nan 4.420 nan 0.000 0.216 517 P C 0.000 176.903 177.300 -0.662 0.000 1.155 517 P CA 0.000 62.663 63.100 -0.729 0.000 0.800 517 P CB 0.000 30.786 31.700 -1.524 0.000 0.726 518 V N -1.887 117.758 119.914 -0.448 0.000 2.759 518 V HA -0.047 4.073 4.120 0.000 0.000 0.256 518 V C 1.524 177.545 176.094 -0.122 0.000 1.080 518 V CA 1.341 63.516 62.300 -0.209 0.000 1.101 518 V CB -1.048 30.739 31.823 -0.059 0.000 0.698 518 V HN 0.715 nan 8.190 nan 0.000 0.477 519 W N 0.204 121.498 121.300 -0.010 0.000 3.345 519 W HA 0.584 5.244 4.660 0.000 0.000 0.282 519 W C 0.439 176.949 176.519 -0.013 0.000 1.302 519 W CA 0.125 57.463 57.345 -0.011 0.000 1.724 519 W CB -0.544 28.908 29.460 -0.014 0.000 1.104 519 W HN 0.346 nan 8.180 nan 0.000 0.694 520 S N 1.102 116.732 115.700 -0.116 0.000 2.571 520 S HA 0.333 4.803 4.470 0.000 0.000 0.284 520 S C -1.397 173.126 174.600 -0.129 0.000 1.128 520 S CA -0.342 57.820 58.200 -0.063 0.000 0.970 520 S CB 2.049 65.128 63.200 -0.202 0.000 1.039 520 S HN 0.223 nan 8.310 nan 0.000 0.485 521 E N 4.650 124.818 120.200 -0.052 0.000 2.279 521 E HA 0.465 4.815 4.350 0.000 0.000 0.252 521 E C -2.748 173.822 176.600 -0.049 0.000 0.894 521 E CA -2.228 54.136 56.400 -0.059 0.000 0.785 521 E CB 1.217 30.898 29.700 -0.031 0.000 1.237 521 E HN 0.303 nan 8.360 nan 0.000 0.418 522 P HA 0.016 nan 4.420 nan 0.000 0.266 522 P C -0.947 176.327 177.300 -0.043 0.000 1.195 522 P CA 0.343 63.411 63.100 -0.053 0.000 0.768 522 P CB 0.475 32.150 31.700 -0.041 0.000 0.838 523 L N 2.641 123.824 121.223 -0.067 0.000 2.346 523 L HA 0.333 4.673 4.340 0.000 0.000 0.274 523 L C 1.304 178.103 176.870 -0.120 0.000 1.007 523 L CA -0.810 53.971 54.840 -0.098 0.000 0.818 523 L CB 1.276 43.233 42.059 -0.171 0.000 1.284 523 L HN 0.393 nan 8.230 nan 0.000 0.424 524 Y N 1.780 121.939 120.300 -0.234 0.000 2.165 524 Y HA -0.260 4.290 4.550 0.000 0.000 0.286 524 Y C 2.272 177.865 175.900 -0.512 0.000 1.155 524 Y CA 2.120 60.061 58.100 -0.265 0.000 1.164 524 Y CB 0.205 38.524 38.460 -0.235 0.000 0.978 524 Y HN 0.646 nan 8.280 nan 0.000 0.513 525 S N 0.142 115.392 115.700 -0.751 0.000 2.474 525 S HA -0.045 4.426 4.470 0.000 0.000 0.235 525 S C 1.604 175.573 174.600 -1.052 0.000 0.997 525 S CA 1.148 58.451 58.200 -1.495 0.000 0.949 525 S CB -0.266 61.826 63.200 -1.847 0.000 0.766 525 S HN 0.463 nan 8.310 nan 0.000 0.517 526 L N 0.474 121.353 121.223 -0.573 0.000 2.640 526 L HA 0.221 4.561 4.340 0.000 0.000 0.230 526 L C 0.627 177.399 176.870 -0.163 0.000 1.123 526 L CA -0.094 54.574 54.840 -0.286 0.000 0.900 526 L CB 0.016 41.964 42.059 -0.184 0.000 1.146 526 L HN 0.055 nan 8.230 nan 0.000 0.484 527 R N 1.524 121.902 120.500 -0.204 0.000 2.679 527 R HA 0.022 4.362 4.340 0.000 0.000 0.268 527 R C -1.153 175.126 176.300 -0.035 0.000 1.044 527 R CA -1.072 54.966 56.100 -0.103 0.000 1.105 527 R CB 0.237 30.455 30.300 -0.137 0.000 0.989 527 R HN -0.110 nan 8.270 nan 0.000 0.447 528 P HA -0.163 nan 4.420 nan 0.000 0.217 528 P C 0.002 177.315 177.300 0.023 0.000 1.150 528 P CA 1.420 64.531 63.100 0.019 0.000 0.832 528 P CB 0.275 31.984 31.700 0.016 0.000 0.787 529 E N -1.242 118.960 120.200 0.003 0.000 2.338 529 E HA -0.175 4.175 4.350 0.000 0.000 0.197 529 E C 2.142 178.737 176.600 -0.009 0.000 1.007 529 E CA 0.534 56.931 56.400 -0.005 0.000 0.849 529 E CB -1.275 28.415 29.700 -0.016 0.000 0.774 529 E HN 0.484 nan 8.360 nan 0.000 0.506 530 H N 0.439 119.439 119.070 -0.116 0.000 2.456 530 H HA 0.016 4.572 4.556 0.000 0.000 0.296 530 H C 1.802 177.179 175.328 0.081 0.000 1.079 530 H CA 1.234 57.207 56.048 -0.126 0.000 1.322 530 H CB 0.207 29.808 29.762 -0.268 0.000 1.388 530 H HN 0.275 nan 8.280 nan 0.000 0.538 531 A N 0.879 123.763 122.820 0.106 0.000 2.070 531 A HA -0.160 4.160 4.320 0.000 0.000 0.220 531 A C 2.410 179.996 177.584 0.002 0.000 1.159 531 A CA 1.159 53.260 52.037 0.107 0.000 0.656 531 A CB -0.391 18.659 19.000 0.082 0.000 0.800 531 A HN 0.312 nan 8.150 nan 0.000 0.453 532 R N -0.114 120.370 120.500 -0.026 0.000 2.316 532 R HA 0.015 4.355 4.340 0.000 0.000 0.202 532 R C 0.972 177.234 176.300 -0.063 0.000 1.029 532 R CA 0.733 56.807 56.100 -0.043 0.000 1.018 532 R CB 0.061 30.342 30.300 -0.032 0.000 0.888 532 R HN 0.414 nan 8.270 nan 0.000 0.471 533 E N 0.330 120.477 120.200 -0.088 0.000 2.489 533 E HA 0.018 4.368 4.350 0.000 0.000 0.193 533 E C 0.053 176.627 176.600 -0.044 0.000 1.057 533 E CA 0.191 56.547 56.400 -0.074 0.000 0.866 533 E CB 0.153 29.741 29.700 -0.188 0.000 0.916 533 E HN 0.083 nan 8.360 nan 0.000 0.500 534 R N 0.978 121.389 120.500 -0.147 0.000 2.694 534 R HA 0.059 4.400 4.340 0.000 0.000 0.268 534 R C 0.542 176.729 176.300 -0.187 0.000 1.061 534 R CA -0.588 55.312 56.100 -0.332 0.000 1.133 534 R CB 0.143 30.220 30.300 -0.372 0.000 1.020 534 R HN 0.068 nan 8.270 nan 0.000 0.475 535 L N 2.137 123.245 121.223 -0.192 0.000 2.559 535 L HA -0.088 4.252 4.340 0.000 0.000 0.282 535 L C -0.099 176.717 176.870 -0.090 0.000 1.232 535 L CA 1.175 55.948 54.840 -0.112 0.000 0.885 535 L CB 0.237 42.235 42.059 -0.102 0.000 1.131 535 L HN 0.428 nan 8.230 nan 0.000 0.498 536 Q N 3.090 122.853 119.800 -0.061 0.000 2.425 536 Q HA 0.177 4.517 4.340 0.000 0.000 0.254 536 Q C -0.210 175.768 176.000 -0.036 0.000 1.032 536 Q CA -0.346 55.428 55.803 -0.047 0.000 0.798 536 Q CB 0.917 29.633 28.738 -0.037 0.000 1.210 536 Q HN 0.751 nan 8.270 nan 0.000 0.491 537 D N 1.437 121.815 120.400 -0.036 0.000 2.328 537 D HA -0.093 4.548 4.640 0.000 0.000 0.226 537 D C -0.341 175.947 176.300 -0.019 0.000 1.066 537 D CA -0.003 53.981 54.000 -0.027 0.000 0.861 537 D CB 0.238 41.021 40.800 -0.028 0.000 0.912 537 D HN 0.426 nan 8.370 nan 0.000 0.521 538 D N -0.250 120.139 120.400 -0.019 0.000 2.955 538 D HA -0.244 4.396 4.640 0.000 0.000 0.226 538 D C -0.176 176.116 176.300 -0.013 0.000 1.178 538 D CA 1.171 55.162 54.000 -0.014 0.000 0.808 538 D CB -1.750 39.044 40.800 -0.010 0.000 1.099 538 D HN 0.289 nan 8.370 nan 0.000 0.421 539 S N -2.662 113.028 115.700 -0.016 0.000 3.476 539 S HA -0.213 4.257 4.470 0.000 0.000 0.309 539 S C 0.127 174.720 174.600 -0.011 0.000 1.222 539 S CA 0.856 59.047 58.200 -0.014 0.000 0.922 539 S CB -0.854 62.338 63.200 -0.013 0.000 1.023 539 S HN 0.369 nan 8.310 nan 0.000 0.591 540 V N 1.912 121.819 119.914 -0.011 0.000 2.357 540 V HA 0.290 4.410 4.120 0.000 0.000 0.281 540 V C 0.213 176.303 176.094 -0.008 0.000 1.015 540 V CA -0.566 61.730 62.300 -0.008 0.000 0.827 540 V CB 1.523 33.343 31.823 -0.005 0.000 1.018 540 V HN 0.345 nan 8.190 nan 0.000 0.432 541 E N 3.101 123.296 120.200 -0.008 0.000 2.249 541 E HA 0.629 4.979 4.350 0.000 0.000 0.280 541 E C 0.016 176.614 176.600 -0.003 0.000 1.016 541 E CA -0.331 56.064 56.400 -0.007 0.000 0.830 541 E CB 1.907 31.602 29.700 -0.009 0.000 1.081 541 E HN 0.773 nan 8.360 nan 0.000 0.395 542 T N -2.195 112.359 114.554 -0.001 0.000 2.841 542 T HA 0.193 4.543 4.350 0.000 0.000 0.296 542 T C 0.990 175.693 174.700 0.004 0.000 1.166 542 T CA -0.830 61.272 62.100 0.003 0.000 1.007 542 T CB 1.019 69.892 68.868 0.007 0.000 1.253 542 T HN 0.103 nan 8.240 nan 0.000 0.511 543 V N 1.219 121.138 119.914 0.008 0.000 2.317 543 V HA -0.221 3.899 4.120 0.000 0.000 0.251 543 V C 2.898 178.999 176.094 0.011 0.000 1.065 543 V CA 2.804 65.109 62.300 0.010 0.000 1.049 543 V CB -1.471 30.361 31.823 0.015 0.000 0.651 543 V HN 1.107 nan 8.190 nan 0.000 0.450 544 T N 0.465 115.027 114.554 0.013 0.000 2.652 544 T HA -0.201 4.149 4.350 0.000 0.000 0.267 544 T C 2.117 176.819 174.700 0.004 0.000 1.039 544 T CA 2.111 64.220 62.100 0.014 0.000 1.153 544 T CB -0.406 68.473 68.868 0.019 0.000 0.863 544 T HN 0.768 nan 8.240 nan 0.000 0.428 545 S N 1.329 117.028 115.700 -0.001 0.000 2.383 545 S HA -0.005 4.465 4.470 0.000 0.000 0.227 545 S C 2.116 176.706 174.600 -0.016 0.000 1.026 545 S CA 0.731 58.924 58.200 -0.012 0.000 0.981 545 S CB -0.789 62.403 63.200 -0.014 0.000 0.818 545 S HN 0.485 nan 8.310 nan 0.000 0.472 546 I N 1.783 122.347 120.570 -0.011 0.000 2.179 546 I HA -0.134 4.036 4.170 0.000 0.000 0.242 546 I C 2.862 178.972 176.117 -0.011 0.000 1.088 546 I CA 1.434 62.726 61.300 -0.013 0.000 1.357 546 I CB -0.348 37.648 38.000 -0.007 0.000 1.051 546 I HN 0.269 nan 8.210 nan 0.000 0.409 547 E N 0.314 120.513 120.200 -0.003 0.000 2.072 547 E HA -0.258 4.092 4.350 0.000 0.000 0.191 547 E C 2.019 178.618 176.600 -0.001 0.000 0.985 547 E CA 1.085 57.486 56.400 0.002 0.000 0.801 547 E CB -0.317 29.390 29.700 0.013 0.000 0.750 547 E HN 0.408 nan 8.360 nan 0.000 0.452 548 Q N 1.042 120.838 119.800 -0.006 0.000 2.084 548 Q HA -0.057 4.284 4.340 0.000 0.000 0.202 548 Q C 1.965 177.946 176.000 -0.032 0.000 0.978 548 Q CA 2.040 57.836 55.803 -0.012 0.000 0.844 548 Q CB -0.489 28.239 28.738 -0.017 0.000 0.898 548 Q HN 0.194 nan 8.270 nan 0.000 0.426 549 A N 0.406 123.199 122.820 -0.045 0.000 1.933 549 A HA -0.197 4.123 4.320 0.000 0.000 0.218 549 A C 1.982 179.530 177.584 -0.059 0.000 1.175 549 A CA 1.691 53.685 52.037 -0.070 0.000 0.628 549 A CB -0.435 18.526 19.000 -0.064 0.000 0.814 549 A HN 0.423 nan 8.150 nan 0.000 0.444 550 K N -0.512 119.867 120.400 -0.034 0.000 2.057 550 K HA -0.055 4.265 4.320 0.000 0.000 0.207 550 K C 1.863 178.454 176.600 -0.015 0.000 1.049 550 K CA 1.361 57.634 56.287 -0.023 0.000 0.931 550 K CB -0.350 32.143 32.500 -0.012 0.000 0.714 550 K HN 0.292 nan 8.250 nan 0.000 0.440 551 V N 1.908 121.820 119.914 -0.004 0.000 2.295 551 V HA -0.238 3.882 4.120 0.000 0.000 0.246 551 V C 2.009 178.118 176.094 0.024 0.000 1.049 551 V CA 1.770 64.081 62.300 0.018 0.000 1.024 551 V CB -0.393 31.450 31.823 0.034 0.000 0.648 551 V HN 0.330 nan 8.190 nan 0.000 0.447 552 E N -0.285 119.913 120.200 -0.004 0.000 2.118 552 E HA -0.289 4.061 4.350 0.000 0.000 0.195 552 E C 2.228 178.795 176.600 -0.055 0.000 0.992 552 E CA 1.435 57.814 56.400 -0.035 0.000 0.804 552 E CB -0.109 29.425 29.700 -0.277 0.000 0.741 552 E HN 0.566 nan 8.360 nan 0.000 0.458 553 E N 1.540 121.696 120.200 -0.073 0.000 2.077 553 E HA -0.228 4.122 4.350 0.000 0.000 0.193 553 E C 1.857 178.453 176.600 -0.007 0.000 0.989 553 E CA 1.503 57.874 56.400 -0.049 0.000 0.800 553 E CB -0.039 29.633 29.700 -0.047 0.000 0.746 553 E HN -0.056 nan 8.360 nan 0.000 0.452 554 K N 0.245 120.641 120.400 -0.006 0.000 2.057 554 K HA -0.042 4.278 4.320 0.000 0.000 0.207 554 K C 1.925 178.509 176.600 -0.026 0.000 1.049 554 K CA 1.370 57.653 56.287 -0.008 0.000 0.931 554 K CB -0.462 32.034 32.500 -0.006 0.000 0.714 554 K HN 0.176 nan 8.250 nan 0.000 0.440 555 I N 1.157 121.707 120.570 -0.033 0.000 2.286 555 I HA -0.196 3.974 4.170 0.000 0.000 0.248 555 I C 2.265 178.197 176.117 -0.308 0.000 1.115 555 I CA 1.299 62.472 61.300 -0.212 0.000 1.392 555 I CB -1.223 36.672 38.000 -0.174 0.000 1.065 555 I HN 0.369 nan 8.210 nan 0.000 0.418 556 Q N 1.489 121.333 119.800 0.073 0.000 2.084 556 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 556 Q C 2.040 178.125 176.000 0.142 0.000 0.978 556 Q CA 1.719 57.673 55.803 0.251 0.000 0.844 556 Q CB -0.142 28.775 28.738 0.299 0.000 0.898 556 Q HN 0.505 nan 8.270 nan 0.000 0.426 557 E N -0.962 119.276 120.200 0.063 0.000 2.077 557 E HA -0.158 4.192 4.350 0.000 0.000 0.193 557 E C 1.970 178.607 176.600 0.061 0.000 0.989 557 E CA 1.487 57.916 56.400 0.049 0.000 0.800 557 E CB -0.022 29.689 29.700 0.019 0.000 0.746 557 E HN 0.209 nan 8.360 nan 0.000 0.452 558 V N 0.979 120.915 119.914 0.037 0.000 2.261 558 V HA -0.256 3.865 4.120 0.000 0.000 0.246 558 V C 2.031 178.312 176.094 0.312 0.000 1.047 558 V CA 1.734 64.102 62.300 0.113 0.000 1.015 558 V CB -0.666 31.177 31.823 0.032 0.000 0.642 558 V HN 0.288 nan 8.190 nan 0.000 0.446 559 F N 0.578 120.610 119.950 0.137 0.000 2.091 559 F HA -0.255 4.272 4.527 0.000 0.000 0.299 559 F C 2.770 178.628 175.800 0.097 0.000 1.103 559 F CA 1.443 59.498 58.000 0.092 0.000 1.228 559 F CB -0.382 38.620 39.000 0.004 0.000 0.984 559 F HN 0.130 nan 8.300 nan 0.000 0.477 560 S N -0.175 115.679 115.700 0.256 0.000 2.419 560 S HA -0.195 4.275 4.470 0.000 0.000 0.235 560 S C 1.990 176.554 174.600 -0.060 0.000 1.019 560 S CA 1.377 59.625 58.200 0.079 0.000 0.982 560 S CB -0.494 62.741 63.200 0.059 0.000 0.789 560 S HN 0.476 nan 8.310 nan 0.000 0.490 561 S N -0.028 115.654 115.700 -0.031 0.000 2.515 561 S HA -0.005 4.465 4.470 0.000 0.000 0.231 561 S C 1.085 175.416 174.600 -0.449 0.000 0.987 561 S CA 0.451 58.512 58.200 -0.233 0.000 0.936 561 S CB -0.496 62.585 63.200 -0.197 0.000 0.766 561 S HN 0.584 nan 8.310 nan 0.000 0.528 562 Y N 1.261 121.458 120.300 -0.171 0.000 2.458 562 Y HA 0.472 5.023 4.550 0.000 0.000 0.256 562 Y C 0.751 176.516 175.900 -0.225 0.000 1.159 562 Y CA -0.428 57.606 58.100 -0.111 0.000 1.261 562 Y CB 0.343 38.810 38.460 0.011 0.000 1.119 562 Y HN 0.196 nan 8.280 nan 0.000 0.524 563 K N 0.318 120.506 120.400 -0.355 0.000 2.292 563 K HA 0.439 4.760 4.320 0.000 0.000 0.257 563 K C -1.707 174.516 176.600 -0.628 0.000 0.940 563 K CA -0.559 55.558 56.287 -0.284 0.000 0.811 563 K CB 0.689 33.124 32.500 -0.108 0.000 1.120 563 K HN -0.048 nan 8.250 nan 0.000 0.428 564 F N 4.961 124.946 119.950 0.059 0.000 2.531 564 F HA 0.295 4.822 4.527 0.000 0.000 0.333 564 F C 0.446 176.289 175.800 0.071 0.000 1.292 564 F CA -0.762 57.269 58.000 0.051 0.000 1.184 564 F CB 0.197 39.220 39.000 0.039 0.000 1.426 564 F HN 0.727 nan 8.300 nan 0.000 0.559 565 N N 0.226 119.011 118.700 0.142 0.000 1.293 565 N HA -0.382 4.358 4.740 0.000 0.000 0.140 565 N C 1.161 176.791 175.510 0.199 0.000 0.753 565 N CA 1.908 55.047 53.050 0.150 0.000 0.979 565 N CB -0.839 37.742 38.487 0.156 0.000 1.228 565 N HN 0.587 nan 8.380 nan 0.000 0.509 566 H N 1.066 120.203 119.070 0.112 0.000 2.551 566 H HA 0.308 4.864 4.556 0.000 0.000 0.266 566 H C 0.207 175.632 175.328 0.161 0.000 0.977 566 H CA 0.323 56.437 56.048 0.110 0.000 1.163 566 H CB -0.090 29.728 29.762 0.093 0.000 1.381 566 H HN 0.294 nan 8.280 nan 0.000 0.581 567 L N 1.425 122.762 121.223 0.191 0.000 2.265 567 L HA 0.343 4.683 4.340 0.000 0.000 0.288 567 L C -0.999 176.023 176.870 0.253 0.000 1.058 567 L CA -0.374 54.599 54.840 0.222 0.000 0.809 567 L CB 0.945 43.151 42.059 0.245 0.000 1.179 567 L HN -0.093 nan 8.230 nan 0.000 0.429 568 V N 7.172 127.193 119.914 0.178 0.000 2.380 568 V HA 0.358 4.479 4.120 0.000 0.000 0.268 568 V C -2.198 174.012 176.094 0.193 0.000 1.008 568 V CA -1.378 61.033 62.300 0.184 0.000 0.823 568 V CB 0.945 32.804 31.823 0.060 0.000 1.053 568 V HN 0.700 nan 8.190 nan 0.000 0.446 569 P HA 0.118 nan 4.420 nan 0.000 0.265 569 P C 0.223 177.627 177.300 0.173 0.000 1.187 569 P CA 0.049 63.275 63.100 0.211 0.000 0.766 569 P CB 0.520 32.337 31.700 0.195 0.000 0.820 570 R N 2.011 122.591 120.500 0.133 0.000 2.640 570 R HA 0.112 4.453 4.340 0.000 0.000 0.270 570 R C 0.218 176.580 176.300 0.103 0.000 1.024 570 R CA -0.253 55.902 56.100 0.092 0.000 1.085 570 R CB -0.142 30.200 30.300 0.070 0.000 0.963 570 R HN 0.474 nan 8.270 nan 0.000 0.426 571 L N 2.691 123.956 121.223 0.069 0.000 2.439 571 L HA 0.213 4.553 4.340 0.000 0.000 0.269 571 L C -0.122 176.785 176.870 0.062 0.000 1.179 571 L CA -0.299 54.579 54.840 0.063 0.000 0.828 571 L CB 0.864 42.911 42.059 -0.020 0.000 1.106 571 L HN 0.292 nan 8.230 nan 0.000 0.467 572 V N 3.716 123.680 119.914 0.082 0.000 2.487 572 V HA 0.270 4.390 4.120 0.000 0.000 0.298 572 V C -0.261 175.875 176.094 0.070 0.000 1.028 572 V CA -0.646 61.695 62.300 0.069 0.000 0.860 572 V CB 2.015 33.881 31.823 0.071 0.000 0.991 572 V HN 0.440 nan 8.190 nan 0.000 0.427 573 L N 5.114 126.378 121.223 0.067 0.000 2.313 573 L HA 0.405 4.745 4.340 0.000 0.000 0.282 573 L C 0.650 177.568 176.870 0.079 0.000 1.092 573 L CA 0.385 55.289 54.840 0.106 0.000 0.831 573 L CB 1.028 43.150 42.059 0.104 0.000 1.159 573 L HN 0.606 nan 8.230 nan 0.000 0.442 574 Q N 5.430 125.245 119.800 0.025 0.000 3.159 574 Q HA 0.075 4.416 4.340 0.000 0.000 0.280 574 Q C 1.062 176.898 176.000 -0.274 0.000 1.403 574 Q CA 0.158 55.858 55.803 -0.172 0.000 0.957 574 Q CB -0.224 28.340 28.738 -0.291 0.000 1.729 574 Q HN 0.732 nan 8.270 nan 0.000 0.551 575 R N 0.563 121.058 120.500 -0.008 0.000 2.136 575 R HA -0.211 4.129 4.340 0.000 0.000 0.242 575 R C 1.596 177.928 176.300 0.054 0.000 1.131 575 R CA 1.381 57.524 56.100 0.072 0.000 0.937 575 R CB 0.074 30.397 30.300 0.039 0.000 0.863 575 R HN 0.334 nan 8.270 nan 0.000 0.435 576 E N 0.884 121.100 120.200 0.025 0.000 2.118 576 E HA -0.178 4.172 4.350 0.000 0.000 0.195 576 E C 1.869 178.550 176.600 0.135 0.000 0.992 576 E CA 1.367 57.818 56.400 0.084 0.000 0.804 576 E CB -0.061 29.709 29.700 0.117 0.000 0.741 576 E HN 0.388 nan 8.360 nan 0.000 0.458 577 K N -0.195 120.222 120.400 0.028 0.000 2.057 577 K HA -0.113 4.207 4.320 0.000 0.000 0.206 577 K C 2.138 178.792 176.600 0.089 0.000 1.050 577 K CA 1.092 57.398 56.287 0.031 0.000 0.935 577 K CB -0.236 32.178 32.500 -0.144 0.000 0.715 577 K HN 0.217 nan 8.250 nan 0.000 0.439 578 H N -0.037 119.124 119.070 0.151 0.000 2.353 578 H HA -0.135 4.421 4.556 0.000 0.000 0.300 578 H C 2.015 177.477 175.328 0.224 0.000 1.090 578 H CA 1.219 57.381 56.048 0.189 0.000 1.327 578 H CB -0.571 29.271 29.762 0.134 0.000 1.383 578 H HN 0.165 nan 8.280 nan 0.000 0.508 579 F N 2.121 122.136 119.950 0.107 0.000 2.095 579 F HA -0.243 4.284 4.527 0.000 0.000 0.298 579 F C 2.493 178.268 175.800 -0.041 0.000 1.104 579 F CA 1.585 59.563 58.000 -0.036 0.000 1.232 579 F CB -0.499 38.380 39.000 -0.202 0.000 0.987 579 F HN 0.141 nan 8.300 nan 0.000 0.475 580 H N -1.568 117.402 119.070 -0.167 0.000 2.387 580 H HA -0.179 4.377 4.556 0.000 0.000 0.299 580 H C 2.090 177.371 175.328 -0.080 0.000 1.090 580 H CA 1.875 57.761 56.048 -0.270 0.000 1.332 580 H CB -1.106 28.614 29.762 -0.070 0.000 1.386 580 H HN 0.468 nan 8.280 nan 0.000 0.516 581 Y N 1.565 121.904 120.300 0.065 0.000 2.163 581 Y HA -0.158 4.392 4.550 0.000 0.000 0.288 581 Y C 2.399 178.410 175.900 0.185 0.000 1.136 581 Y CA 1.046 59.212 58.100 0.110 0.000 1.147 581 Y CB -0.689 37.840 38.460 0.115 0.000 0.987 581 Y HN 0.002 nan 8.280 nan 0.000 0.509 582 L N 0.380 121.620 121.223 0.029 0.000 2.027 582 L HA -0.210 4.130 4.340 0.000 0.000 0.206 582 L C 2.660 179.419 176.870 -0.185 0.000 1.074 582 L CA 1.947 56.754 54.840 -0.055 0.000 0.745 582 L CB -0.657 41.430 42.059 0.046 0.000 0.898 582 L HN 0.125 nan 8.230 nan 0.000 0.433 583 K N 0.329 120.566 120.400 -0.271 0.000 2.063 583 K HA -0.276 4.044 4.320 0.000 0.000 0.208 583 K C 2.358 178.832 176.600 -0.210 0.000 1.048 583 K CA 1.664 57.765 56.287 -0.309 0.000 0.928 583 K CB 0.008 32.157 32.500 -0.585 0.000 0.713 583 K HN -0.012 nan 8.250 nan 0.000 0.442 584 R N 0.240 120.645 120.500 -0.158 0.000 2.066 584 R HA -0.039 4.301 4.340 0.000 0.000 0.232 584 R C 2.191 178.400 176.300 -0.151 0.000 1.131 584 R CA 2.036 58.073 56.100 -0.105 0.000 0.955 584 R CB -1.107 29.181 30.300 -0.019 0.000 0.851 584 R HN 0.343 nan 8.270 nan 0.000 0.432 585 G N 0.407 109.084 108.800 -0.206 0.000 2.448 585 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 585 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 585 G C 1.219 175.815 174.900 -0.507 0.000 1.127 585 G CA 0.699 45.553 45.100 -0.410 0.000 0.766 585 G HN 0.345 nan 8.290 nan 0.000 0.552 586 L N 0.067 121.052 121.223 -0.397 0.000 2.275 586 L HA 0.124 4.465 4.340 0.000 0.000 0.215 586 L C 2.622 179.332 176.870 -0.267 0.000 1.119 586 L CA 1.211 55.855 54.840 -0.327 0.000 0.790 586 L CB -0.109 41.809 42.059 -0.236 0.000 0.919 586 L HN 0.102 nan 8.230 nan 0.000 0.443 587 R N -1.476 118.888 120.500 -0.228 0.000 2.084 587 R HA 0.271 4.611 4.340 0.000 0.000 0.209 587 R C 0.312 176.498 176.300 -0.189 0.000 1.173 587 R CA 0.313 56.301 56.100 -0.187 0.000 1.053 587 R CB 0.138 30.359 30.300 -0.133 0.000 0.948 587 R HN 0.359 nan 8.270 nan 0.000 0.460 588 Q N 0.145 119.845 119.800 -0.167 0.000 2.495 588 Q HA 0.635 4.975 4.340 0.000 0.000 0.287 588 Q C -1.313 174.605 176.000 -0.136 0.000 1.078 588 Q CA -0.598 55.123 55.803 -0.137 0.000 0.793 588 Q CB 3.198 31.887 28.738 -0.083 0.000 1.459 588 Q HN -0.009 nan 8.270 nan 0.000 0.422 589 L N 0.129 121.293 121.223 -0.099 0.000 2.465 589 L HA 0.538 4.878 4.340 0.000 0.000 0.257 589 L C -0.009 176.895 176.870 0.057 0.000 0.988 589 L CA -1.017 53.782 54.840 -0.069 0.000 0.827 589 L CB 2.301 44.227 42.059 -0.221 0.000 1.397 589 L HN 0.762 nan 8.230 nan 0.000 0.410 590 T N -3.754 110.890 114.554 0.150 0.000 2.754 590 T HA 0.094 4.444 4.350 0.000 0.000 0.286 590 T C 0.693 175.506 174.700 0.189 0.000 0.997 590 T CA -0.136 62.055 62.100 0.153 0.000 0.982 590 T CB 0.665 69.629 68.868 0.160 0.000 1.027 590 T HN 0.748 nan 8.240 nan 0.000 0.529 591 D N -0.211 120.267 120.400 0.129 0.000 2.403 591 D HA 0.020 4.660 4.640 0.000 0.000 0.227 591 D C 1.845 178.218 176.300 0.121 0.000 0.995 591 D CA 0.785 54.854 54.000 0.115 0.000 0.928 591 D CB -0.622 40.222 40.800 0.074 0.000 0.887 591 D HN 0.662 nan 8.370 nan 0.000 0.529 592 A N -0.400 122.508 122.820 0.147 0.000 2.121 592 A HA -0.109 4.211 4.320 0.000 0.000 0.218 592 A C 1.082 178.657 177.584 -0.015 0.000 1.154 592 A CA 0.557 52.635 52.037 0.068 0.000 0.679 592 A CB -0.820 18.227 19.000 0.078 0.000 0.795 592 A HN 0.351 nan 8.150 nan 0.000 0.458 593 Y N 0.124 120.483 120.300 0.098 0.000 2.532 593 Y HA 0.156 4.706 4.550 0.000 0.000 0.283 593 Y C 1.748 177.705 175.900 0.096 0.000 1.181 593 Y CA -0.035 58.137 58.100 0.120 0.000 1.256 593 Y CB -0.055 38.493 38.460 0.146 0.000 1.112 593 Y HN 0.451 nan 8.280 nan 0.000 0.521 594 E N -0.559 119.727 120.200 0.143 0.000 2.204 594 E HA -0.211 4.139 4.350 0.000 0.000 0.195 594 E C 2.023 178.675 176.600 0.086 0.000 0.990 594 E CA 1.382 57.846 56.400 0.107 0.000 0.821 594 E CB -0.183 29.560 29.700 0.072 0.000 0.750 594 E HN 0.643 nan 8.360 nan 0.000 0.477 595 C N -0.557 118.776 119.300 0.056 0.000 2.449 595 C HA 0.087 4.548 4.460 0.000 0.000 0.283 595 C C 1.762 176.798 174.990 0.078 0.000 1.453 595 C CA -0.126 58.917 59.018 0.041 0.000 1.779 595 C CB -0.954 26.784 27.740 -0.004 0.000 1.779 595 C HN 0.228 nan 8.230 nan 0.000 0.546 596 L N 0.720 122.028 121.223 0.140 0.000 2.910 596 L HA 0.223 4.563 4.340 0.000 0.000 0.252 596 L C 1.591 178.577 176.870 0.194 0.000 1.195 596 L CA 0.212 55.176 54.840 0.206 0.000 1.003 596 L CB -0.312 41.962 42.059 0.358 0.000 1.328 596 L HN 0.169 nan 8.230 nan 0.000 0.540 597 D N 1.346 121.834 120.400 0.146 0.000 2.309 597 D HA -0.129 4.512 4.640 0.000 0.000 0.212 597 D C 1.648 178.015 176.300 0.111 0.000 0.968 597 D CA 1.023 55.098 54.000 0.126 0.000 0.882 597 D CB 0.476 41.332 40.800 0.093 0.000 0.918 597 D HN 0.288 nan 8.370 nan 0.000 0.503 598 A N -0.985 121.895 122.820 0.099 0.000 2.500 598 A HA 0.410 4.730 4.320 0.000 0.000 0.267 598 A C 0.830 178.479 177.584 0.107 0.000 1.290 598 A CA -0.292 51.788 52.037 0.072 0.000 0.928 598 A CB 0.479 19.495 19.000 0.027 0.000 1.066 598 A HN 0.041 nan 8.150 nan 0.000 0.516 599 S N -0.816 114.989 115.700 0.174 0.000 3.025 599 S HA 0.168 4.639 4.470 0.000 0.000 0.251 599 S C 1.112 175.859 174.600 0.246 0.000 0.954 599 S CA -0.481 57.888 58.200 0.282 0.000 1.092 599 S CB 0.040 63.415 63.200 0.291 0.000 1.079 599 S HN 0.589 nan 8.310 nan 0.000 0.543 600 R N 1.805 122.427 120.500 0.203 0.000 2.120 600 R HA -0.043 4.297 4.340 0.000 0.000 0.234 600 R C -1.155 175.242 176.300 0.163 0.000 1.123 600 R CA 1.313 57.539 56.100 0.211 0.000 0.975 600 R CB -1.169 29.333 30.300 0.337 0.000 0.866 600 R HN 0.294 nan 8.270 nan 0.000 0.446 601 P HA -0.145 nan 4.420 nan 0.000 0.220 601 P C 0.326 177.485 177.300 -0.235 0.000 1.148 601 P CA 0.997 64.033 63.100 -0.107 0.000 0.803 601 P CB -0.041 31.500 31.700 -0.266 0.000 0.782 602 W N -0.662 120.466 121.300 -0.286 0.000 2.381 602 W HA -0.064 4.596 4.660 0.000 0.000 0.301 602 W C 2.105 178.111 176.519 -0.855 0.000 1.205 602 W CA 0.533 57.446 57.345 -0.719 0.000 1.285 602 W CB -0.893 27.974 29.460 -0.988 0.000 1.133 602 W HN -0.135 nan 8.180 nan 0.000 0.521 603 L N -1.029 120.094 121.223 -0.166 0.000 2.046 603 L HA -0.282 4.059 4.340 0.000 0.000 0.208 603 L C 2.369 179.180 176.870 -0.098 0.000 1.077 603 L CA 1.097 55.935 54.840 -0.003 0.000 0.747 603 L CB -1.043 41.008 42.059 -0.013 0.000 0.896 603 L HN 0.076 nan 8.230 nan 0.000 0.432 604 C N -1.253 117.988 119.300 -0.099 0.000 2.432 604 C HA -0.232 4.228 4.460 0.000 0.000 0.277 604 C C 2.754 177.702 174.990 -0.071 0.000 1.249 604 C CA 0.702 59.666 59.018 -0.091 0.000 1.725 604 C CB -0.803 26.917 27.740 -0.033 0.000 2.028 604 C HN 0.563 nan 8.230 nan 0.000 0.477 605 Y N 0.617 120.793 120.300 -0.207 0.000 2.114 605 Y HA -0.175 4.375 4.550 0.000 0.000 0.284 605 Y C 2.315 178.231 175.900 0.027 0.000 1.143 605 Y CA 1.423 59.415 58.100 -0.180 0.000 1.135 605 Y CB -0.783 37.471 38.460 -0.343 0.000 0.980 605 Y HN 0.378 nan 8.280 nan 0.000 0.499 606 W N 0.657 121.798 121.300 -0.264 0.000 2.338 606 W HA -0.228 4.432 4.660 0.000 0.000 0.304 606 W C 2.482 178.840 176.519 -0.268 0.000 1.212 606 W CA 1.486 58.622 57.345 -0.348 0.000 1.264 606 W CB -1.256 28.219 29.460 0.024 0.000 1.142 606 W HN 0.210 nan 8.180 nan 0.000 0.512 607 I N -0.359 120.220 120.570 0.015 0.000 2.233 607 I HA -0.291 3.880 4.170 0.000 0.000 0.243 607 I C 2.436 178.502 176.117 -0.084 0.000 1.093 607 I CA 1.065 62.315 61.300 -0.083 0.000 1.380 607 I CB -0.817 37.025 38.000 -0.264 0.000 1.067 607 I HN -0.173 nan 8.210 nan 0.000 0.413 608 L N -0.088 121.080 121.223 -0.090 0.000 2.083 608 L HA -0.253 4.087 4.340 0.000 0.000 0.209 608 L C 2.738 179.587 176.870 -0.033 0.000 1.083 608 L CA 1.387 56.194 54.840 -0.055 0.000 0.752 608 L CB -0.822 41.214 42.059 -0.037 0.000 0.899 608 L HN 0.345 nan 8.230 nan 0.000 0.433 609 H N -0.376 118.556 119.070 -0.229 0.000 2.395 609 H HA -0.074 4.482 4.556 0.000 0.000 0.299 609 H C 2.365 177.583 175.328 -0.183 0.000 1.070 609 H CA 1.472 57.375 56.048 -0.241 0.000 1.356 609 H CB 0.146 29.607 29.762 -0.503 0.000 1.401 609 H HN 0.104 nan 8.280 nan 0.000 0.524 610 S N -0.079 115.474 115.700 -0.244 0.000 2.368 610 S HA -0.083 4.387 4.470 0.000 0.000 0.224 610 S C 2.313 176.835 174.600 -0.131 0.000 1.029 610 S CA 1.174 59.236 58.200 -0.229 0.000 0.988 610 S CB -0.249 62.893 63.200 -0.096 0.000 0.838 610 S HN 0.355 nan 8.310 nan 0.000 0.462 611 L N 1.376 122.565 121.223 -0.056 0.000 2.046 611 L HA -0.139 4.201 4.340 0.000 0.000 0.208 611 L C 2.738 179.585 176.870 -0.038 0.000 1.077 611 L CA 1.503 56.346 54.840 0.006 0.000 0.747 611 L CB -0.550 41.535 42.059 0.043 0.000 0.896 611 L HN 0.429 nan 8.230 nan 0.000 0.432 612 E N 0.863 121.026 120.200 -0.062 0.000 2.077 612 E HA -0.237 4.113 4.350 0.000 0.000 0.193 612 E C 2.327 178.876 176.600 -0.085 0.000 0.989 612 E CA 1.224 57.595 56.400 -0.048 0.000 0.800 612 E CB -0.113 29.595 29.700 0.012 0.000 0.746 612 E HN 0.474 nan 8.360 nan 0.000 0.452 613 L N 0.556 121.667 121.223 -0.186 0.000 2.083 613 L HA -0.150 4.190 4.340 0.000 0.000 0.209 613 L C 2.408 179.230 176.870 -0.080 0.000 1.083 613 L CA 0.785 55.524 54.840 -0.169 0.000 0.752 613 L CB -0.200 41.681 42.059 -0.297 0.000 0.899 613 L HN 0.254 nan 8.230 nan 0.000 0.433 614 L N -0.626 120.555 121.223 -0.070 0.000 2.599 614 L HA -0.037 4.303 4.340 0.000 0.000 0.230 614 L C 0.394 177.230 176.870 -0.056 0.000 1.141 614 L CA 0.017 54.836 54.840 -0.036 0.000 0.877 614 L CB -0.452 41.607 42.059 0.001 0.000 1.009 614 L HN 0.261 nan 8.230 nan 0.000 0.447 615 D N 1.083 121.448 120.400 -0.057 0.000 2.723 615 D HA -0.183 4.457 4.640 0.000 0.000 0.236 615 D C -0.047 176.192 176.300 -0.102 0.000 1.138 615 D CA 0.610 54.571 54.000 -0.064 0.000 0.676 615 D CB -0.314 40.454 40.800 -0.053 0.000 1.069 615 D HN 0.250 nan 8.370 nan 0.000 0.430 616 E N 1.042 121.178 120.200 -0.107 0.000 2.134 616 E HA 0.319 4.669 4.350 0.000 0.000 0.278 616 E C -1.904 174.646 176.600 -0.083 0.000 0.959 616 E CA -1.608 54.688 56.400 -0.173 0.000 0.783 616 E CB 1.092 30.683 29.700 -0.181 0.000 1.095 616 E HN 0.309 nan 8.360 nan 0.000 0.399 617 P HA 0.144 nan 4.420 nan 0.000 0.269 617 P C -0.123 177.175 177.300 -0.002 0.000 1.209 617 P CA 0.032 63.106 63.100 -0.044 0.000 0.776 617 P CB 0.889 32.559 31.700 -0.051 0.000 0.876 618 I N 4.098 124.664 120.570 -0.007 0.000 2.307 618 I HA 0.216 4.386 4.170 0.000 0.000 0.289 618 I C -1.869 174.242 176.117 -0.010 0.000 1.021 618 I CA -2.341 58.958 61.300 -0.001 0.000 1.224 618 I CB 0.867 38.856 38.000 -0.019 0.000 1.376 618 I HN 0.160 nan 8.210 nan 0.000 0.470 619 P HA -0.052 nan 4.420 nan 0.000 0.265 619 P C 0.569 177.856 177.300 -0.021 0.000 1.187 619 P CA -0.182 62.914 63.100 -0.006 0.000 0.766 619 P CB 0.596 32.299 31.700 0.005 0.000 0.820 620 Q N 2.264 122.049 119.800 -0.026 0.000 2.096 620 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 620 Q C 1.691 177.672 176.000 -0.033 0.000 0.982 620 Q CA 1.885 57.667 55.803 -0.035 0.000 0.850 620 Q CB -0.383 28.335 28.738 -0.033 0.000 0.901 620 Q HN 0.547 nan 8.270 nan 0.000 0.422 621 I N -0.404 120.151 120.570 -0.025 0.000 2.179 621 I HA -0.274 3.896 4.170 0.000 0.000 0.242 621 I C 2.312 178.412 176.117 -0.028 0.000 1.088 621 I CA 0.898 62.183 61.300 -0.024 0.000 1.357 621 I CB -0.338 37.651 38.000 -0.019 0.000 1.051 621 I HN -0.010 nan 8.210 nan 0.000 0.409 622 V N 1.100 120.997 119.914 -0.030 0.000 2.343 622 V HA -0.295 3.825 4.120 0.000 0.000 0.247 622 V C 2.732 178.802 176.094 -0.040 0.000 1.051 622 V CA 1.956 64.233 62.300 -0.038 0.000 1.036 622 V CB -1.056 30.745 31.823 -0.037 0.000 0.654 622 V HN 0.493 nan 8.190 nan 0.000 0.451 623 A N 0.988 123.784 122.820 -0.041 0.000 1.883 623 A HA -0.258 4.062 4.320 0.000 0.000 0.217 623 A C 2.524 180.080 177.584 -0.047 0.000 1.186 623 A CA 2.783 54.789 52.037 -0.051 0.000 0.624 623 A CB -1.125 17.837 19.000 -0.063 0.000 0.822 623 A HN 0.643 nan 8.150 nan 0.000 0.444 624 T N -2.280 112.249 114.554 -0.040 0.000 2.821 624 T HA -0.140 4.210 4.350 0.000 0.000 0.267 624 T C 1.358 176.051 174.700 -0.011 0.000 1.046 624 T CA 1.518 63.599 62.100 -0.031 0.000 1.139 624 T CB -0.475 68.376 68.868 -0.029 0.000 0.871 624 T HN 0.355 nan 8.240 nan 0.000 0.454 625 D N 1.168 121.562 120.400 -0.011 0.000 2.117 625 D HA -0.025 4.615 4.640 0.000 0.000 0.197 625 D C 2.342 178.665 176.300 0.039 0.000 0.987 625 D CA 0.696 54.699 54.000 0.005 0.000 0.829 625 D CB -0.513 40.275 40.800 -0.020 0.000 0.961 625 D HN 0.303 nan 8.370 nan 0.000 0.460 626 V N 0.575 120.499 119.914 0.017 0.000 2.295 626 V HA -0.277 3.843 4.120 0.000 0.000 0.246 626 V C 2.713 178.852 176.094 0.074 0.000 1.049 626 V CA 1.261 63.593 62.300 0.054 0.000 1.024 626 V CB -0.541 31.280 31.823 -0.004 0.000 0.648 626 V HN 0.292 nan 8.190 nan 0.000 0.447 627 C N -0.443 118.868 119.300 0.018 0.000 2.413 627 C HA -0.234 4.226 4.460 0.000 0.000 0.276 627 C C 2.885 177.896 174.990 0.035 0.000 1.236 627 C CA 1.337 60.359 59.018 0.007 0.000 1.735 627 C CB -1.136 26.592 27.740 -0.021 0.000 2.031 627 C HN 0.610 nan 8.230 nan 0.000 0.474 628 Q N -0.805 119.024 119.800 0.049 0.000 2.084 628 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 628 Q C 2.034 178.086 176.000 0.088 0.000 0.978 628 Q CA 1.731 57.568 55.803 0.056 0.000 0.844 628 Q CB -0.385 28.385 28.738 0.053 0.000 0.898 628 Q HN 0.775 nan 8.270 nan 0.000 0.426 629 F N 1.178 121.119 119.950 -0.014 0.000 2.146 629 F HA -0.141 4.386 4.527 0.000 0.000 0.298 629 F C 1.699 177.507 175.800 0.014 0.000 1.096 629 F CA 1.194 59.188 58.000 -0.011 0.000 1.275 629 F CB -0.175 38.805 39.000 -0.033 0.000 1.008 629 F HN -0.051 nan 8.300 nan 0.000 0.480 630 L N 0.077 121.194 121.223 -0.176 0.000 2.201 630 L HA -0.172 4.168 4.340 0.000 0.000 0.212 630 L C 2.447 179.320 176.870 0.005 0.000 1.105 630 L CA 1.642 56.357 54.840 -0.209 0.000 0.775 630 L CB -0.801 41.178 42.059 -0.132 0.000 0.913 630 L HN 0.269 nan 8.230 nan 0.000 0.440 631 E N 0.839 121.041 120.200 0.004 0.000 2.106 631 E HA -0.202 4.148 4.350 0.000 0.000 0.192 631 E C 2.293 178.850 176.600 -0.073 0.000 0.984 631 E CA 0.880 57.288 56.400 0.013 0.000 0.806 631 E CB 0.024 29.729 29.700 0.008 0.000 0.750 631 E HN 0.486 nan 8.360 nan 0.000 0.458 632 L N 0.083 121.233 121.223 -0.123 0.000 2.275 632 L HA -0.138 4.202 4.340 0.000 0.000 0.215 632 L C 2.272 179.027 176.870 -0.192 0.000 1.119 632 L CA 0.389 55.147 54.840 -0.137 0.000 0.790 632 L CB -0.090 41.909 42.059 -0.101 0.000 0.919 632 L HN 0.370 nan 8.230 nan 0.000 0.443 633 C N -0.987 118.154 119.300 -0.264 0.000 2.563 633 C HA -0.016 4.444 4.460 0.000 0.000 0.268 633 C C 1.510 176.432 174.990 -0.112 0.000 1.365 633 C CA -0.438 58.464 59.018 -0.195 0.000 1.754 633 C CB -0.770 26.821 27.740 -0.249 0.000 1.932 633 C HN 0.408 nan 8.230 nan 0.000 0.536 634 Q N 1.594 121.267 119.800 -0.211 0.000 2.313 634 Q HA 0.181 4.521 4.340 0.000 0.000 0.266 634 Q C 0.167 175.943 176.000 -0.374 0.000 0.989 634 Q CA 0.201 55.649 55.803 -0.592 0.000 0.890 634 Q CB 0.622 28.896 28.738 -0.773 0.000 1.200 634 Q HN 0.436 nan 8.270 nan 0.000 0.396 635 S N 4.237 119.704 115.700 -0.389 0.000 2.586 635 S HA 0.318 4.788 4.470 0.000 0.000 0.274 635 S C -1.591 172.869 174.600 -0.232 0.000 1.281 635 S CA -1.556 56.494 58.200 -0.249 0.000 1.035 635 S CB 0.839 63.897 63.200 -0.236 0.000 0.962 635 S HN 0.670 nan 8.310 nan 0.000 0.512 636 P HA -0.115 nan 4.420 nan 0.000 0.225 636 P C 0.645 177.877 177.300 -0.113 0.000 1.148 636 P CA 0.954 63.984 63.100 -0.116 0.000 0.779 636 P CB -0.115 31.542 31.700 -0.071 0.000 0.780 637 E N -0.144 119.982 120.200 -0.124 0.000 2.489 637 E HA 0.301 4.651 4.350 0.000 0.000 0.193 637 E C 0.656 177.182 176.600 -0.124 0.000 1.057 637 E CA 0.112 56.457 56.400 -0.092 0.000 0.866 637 E CB -0.341 29.324 29.700 -0.059 0.000 0.916 637 E HN 0.118 nan 8.360 nan 0.000 0.500 638 G N -0.435 108.224 108.800 -0.234 0.000 2.650 638 G HA2 0.293 4.253 3.960 0.000 0.000 0.686 638 G HA3 0.293 4.253 3.960 0.000 0.000 0.686 638 G C 0.281 174.850 174.900 -0.551 0.000 1.205 638 G CA -0.589 44.349 45.100 -0.270 0.000 0.781 638 G HN 1.009 nan 8.290 nan 0.000 0.648 639 G N -0.900 107.628 108.800 -0.454 0.000 2.796 639 G HA2 0.351 4.312 3.960 0.000 0.000 0.571 639 G HA3 0.351 4.312 3.960 0.000 0.000 0.571 639 G C -0.451 174.124 174.900 -0.542 0.000 1.370 639 G CA 0.154 45.004 45.100 -0.417 0.000 0.856 639 G HN 1.769 nan 8.290 nan 0.000 0.538 640 F N 0.321 120.161 119.950 -0.184 0.000 2.522 640 F HA 0.726 5.253 4.527 0.000 0.000 0.324 640 F C 1.103 176.847 175.800 -0.094 0.000 1.077 640 F CA 0.215 58.123 58.000 -0.152 0.000 0.944 640 F CB 2.115 41.020 39.000 -0.158 0.000 1.175 640 F HN 0.815 nan 8.300 nan 0.000 0.468 641 G N -0.156 108.691 108.800 0.080 0.000 2.552 641 G HA2 0.446 4.406 3.960 0.000 0.000 0.318 641 G HA3 0.446 4.406 3.960 0.000 0.000 0.318 641 G C 0.793 175.726 174.900 0.054 0.000 1.240 641 G CA -0.441 44.701 45.100 0.070 0.000 1.002 641 G HN 0.895 nan 8.290 nan 0.000 0.493 642 G N -1.688 107.141 108.800 0.049 0.000 2.598 642 G HA2 0.433 4.394 3.960 0.000 0.000 0.215 642 G HA3 0.433 4.394 3.960 0.000 0.000 0.215 642 G C 0.694 175.639 174.900 0.075 0.000 1.131 642 G CA 1.053 46.191 45.100 0.063 0.000 0.785 642 G HN 1.242 nan 8.290 nan 0.000 0.539 643 G N -1.476 107.343 108.800 0.033 0.000 2.506 643 G HA2 0.488 4.448 3.960 0.000 0.000 0.292 643 G HA3 0.488 4.448 3.960 0.000 0.000 0.292 643 G C -3.422 171.463 174.900 -0.024 0.000 1.425 643 G CA -0.995 44.135 45.100 0.050 0.000 0.788 643 G HN -0.112 nan 8.290 nan 0.000 0.490 644 P HA 0.307 nan 4.420 nan 0.000 0.263 644 P C 1.039 178.323 177.300 -0.027 0.000 1.195 644 P CA 2.023 65.100 63.100 -0.038 0.000 0.762 644 P CB 0.986 32.694 31.700 0.013 0.000 0.799 645 G N 1.841 110.617 108.800 -0.041 0.000 2.205 645 G HA2 -0.265 3.695 3.960 0.000 0.000 0.261 645 G HA3 -0.265 3.695 3.960 0.000 0.000 0.261 645 G C 0.180 175.039 174.900 -0.069 0.000 0.980 645 G CA -0.248 44.828 45.100 -0.040 0.000 0.632 645 G HN 0.559 nan 8.290 nan 0.000 0.533 646 Q N -0.467 119.294 119.800 -0.065 0.000 2.306 646 Q HA 0.521 4.861 4.340 0.000 0.000 0.241 646 Q C 0.107 176.111 176.000 0.007 0.000 0.948 646 Q CA -0.608 55.136 55.803 -0.099 0.000 0.886 646 Q CB 0.775 29.483 28.738 -0.050 0.000 1.227 646 Q HN 0.506 nan 8.270 nan 0.000 0.457 647 Y N 1.785 122.091 120.300 0.010 0.000 2.457 647 Y HA 0.065 4.615 4.550 0.000 0.000 0.341 647 Y C -1.568 174.340 175.900 0.013 0.000 1.240 647 Y CA -1.953 56.157 58.100 0.017 0.000 1.437 647 Y CB 0.124 38.630 38.460 0.076 0.000 1.328 647 Y HN 0.441 nan 8.280 nan 0.000 0.588 648 P HA -0.005 nan 4.420 nan 0.000 0.272 648 P C -1.080 176.379 177.300 0.265 0.000 1.223 648 P CA 0.461 63.544 63.100 -0.027 0.000 0.784 648 P CB 1.169 32.508 31.700 -0.600 0.000 0.923 649 H N 1.806 120.996 119.070 0.201 0.000 2.974 649 H HA 0.195 4.751 4.556 0.000 0.000 0.366 649 H C 0.701 176.225 175.328 0.328 0.000 1.155 649 H CA -0.563 55.671 56.048 0.309 0.000 1.186 649 H CB 1.598 31.466 29.762 0.176 0.000 1.799 649 H HN 0.214 nan 8.280 nan 0.000 0.541 650 L N 2.804 124.247 121.223 0.367 0.000 2.191 650 L HA -0.150 4.190 4.340 0.000 0.000 0.212 650 L C 2.454 179.578 176.870 0.423 0.000 1.103 650 L CA 1.459 56.506 54.840 0.345 0.000 0.769 650 L CB -0.385 41.776 42.059 0.170 0.000 0.908 650 L HN 0.668 nan 8.230 nan 0.000 0.438 651 A N 0.946 124.192 122.820 0.711 0.000 1.841 651 A HA -0.095 4.225 4.320 0.000 0.000 0.214 651 A C -0.116 177.638 177.584 0.283 0.000 1.195 651 A CA 1.550 54.005 52.037 0.696 0.000 0.611 651 A CB -1.820 17.700 19.000 0.867 0.000 0.835 651 A HN 0.281 nan 8.150 nan 0.000 0.443 652 P HA -0.072 nan 4.420 nan 0.000 0.223 652 P C 1.215 178.384 177.300 -0.219 0.000 1.151 652 P CA 1.507 64.478 63.100 -0.215 0.000 0.787 652 P CB -0.281 31.420 31.700 0.001 0.000 0.788 653 T N -0.593 113.985 114.554 0.040 0.000 2.737 653 T HA -0.183 4.167 4.350 0.000 0.000 0.265 653 T C 1.705 176.329 174.700 -0.126 0.000 1.038 653 T CA 1.237 63.391 62.100 0.090 0.000 1.144 653 T CB -1.104 67.927 68.868 0.271 0.000 0.866 653 T HN 0.088 nan 8.240 nan 0.000 0.434 654 Y N 2.227 122.393 120.300 -0.224 0.000 2.128 654 Y HA -0.088 4.463 4.550 0.000 0.000 0.284 654 Y C 2.476 178.024 175.900 -0.587 0.000 1.154 654 Y CA 1.113 59.019 58.100 -0.323 0.000 1.149 654 Y CB -0.754 37.582 38.460 -0.207 0.000 0.976 654 Y HN 0.162 nan 8.280 nan 0.000 0.505 655 A N 0.781 123.028 122.820 -0.955 0.000 1.902 655 A HA -0.077 4.244 4.320 0.000 0.000 0.217 655 A C 2.442 179.522 177.584 -0.840 0.000 1.181 655 A CA 1.912 53.210 52.037 -1.233 0.000 0.623 655 A CB -1.542 16.508 19.000 -1.584 0.000 0.818 655 A HN 0.665 nan 8.150 nan 0.000 0.443 656 A N -0.560 121.798 122.820 -0.770 0.000 1.902 656 A HA -0.006 4.315 4.320 0.000 0.000 0.217 656 A C 2.226 179.359 177.584 -0.753 0.000 1.181 656 A CA 1.808 53.340 52.037 -0.843 0.000 0.623 656 A CB -0.947 17.173 19.000 -1.467 0.000 0.818 656 A HN 0.392 nan 8.150 nan 0.000 0.443 657 V N 0.754 120.258 119.914 -0.682 0.000 2.343 657 V HA -0.241 3.879 4.120 0.000 0.000 0.247 657 V C 2.338 178.205 176.094 -0.378 0.000 1.051 657 V CA 2.196 64.236 62.300 -0.433 0.000 1.036 657 V CB -1.018 30.618 31.823 -0.311 0.000 0.654 657 V HN 0.541 nan 8.190 nan 0.000 0.451 658 N N 0.402 118.768 118.700 -0.557 0.000 2.120 658 N HA -0.096 4.644 4.740 0.000 0.000 0.188 658 N C 1.858 177.233 175.510 -0.226 0.000 1.024 658 N CA 1.613 54.372 53.050 -0.485 0.000 0.852 658 N CB -0.519 37.392 38.487 -0.961 0.000 1.003 658 N HN 0.468 nan 8.380 nan 0.000 0.424 659 A N 0.813 123.497 122.820 -0.227 0.000 1.877 659 A HA -0.070 4.250 4.320 0.000 0.000 0.216 659 A C 2.314 179.833 177.584 -0.108 0.000 1.186 659 A CA 0.997 52.976 52.037 -0.096 0.000 0.620 659 A CB -0.809 18.110 19.000 -0.136 0.000 0.822 659 A HN 0.258 nan 8.150 nan 0.000 0.443 660 L N -0.850 120.280 121.223 -0.154 0.000 2.083 660 L HA -0.246 4.094 4.340 0.000 0.000 0.209 660 L C 2.607 179.452 176.870 -0.042 0.000 1.083 660 L CA 1.202 55.983 54.840 -0.098 0.000 0.752 660 L CB -0.608 41.410 42.059 -0.067 0.000 0.899 660 L HN 0.493 nan 8.230 nan 0.000 0.433 661 C N -0.401 118.904 119.300 0.008 0.000 2.446 661 C HA -0.050 4.410 4.460 0.000 0.000 0.279 661 C C 2.688 177.697 174.990 0.032 0.000 1.366 661 C CA 0.130 59.212 59.018 0.107 0.000 1.763 661 C CB -0.558 27.217 27.740 0.059 0.000 1.929 661 C HN 0.428 nan 8.230 nan 0.000 0.509 662 I N 0.698 121.264 120.570 -0.006 0.000 2.252 662 I HA -0.176 3.994 4.170 0.000 0.000 0.245 662 I C 2.290 178.384 176.117 -0.038 0.000 1.102 662 I CA 1.627 62.932 61.300 0.007 0.000 1.385 662 I CB -0.303 37.720 38.000 0.037 0.000 1.064 662 I HN 0.292 nan 8.210 nan 0.000 0.414 663 I N 0.608 121.129 120.570 -0.082 0.000 2.226 663 I HA -0.194 3.976 4.170 0.000 0.000 0.245 663 I C 1.857 177.853 176.117 -0.202 0.000 1.100 663 I CA 1.312 62.535 61.300 -0.128 0.000 1.374 663 I CB -0.794 37.119 38.000 -0.145 0.000 1.057 663 I HN 0.465 nan 8.210 nan 0.000 0.413 664 G N 1.733 110.355 108.800 -0.297 0.000 2.203 664 G HA2 -0.282 3.678 3.960 0.000 0.000 0.263 664 G HA3 -0.282 3.678 3.960 0.000 0.000 0.263 664 G C 0.411 174.834 174.900 -0.794 0.000 1.012 664 G CA 0.631 45.439 45.100 -0.487 0.000 0.749 664 G HN 0.520 nan 8.290 nan 0.000 0.512 665 T N -3.221 110.873 114.554 -0.765 0.000 2.934 665 T HA 0.636 4.986 4.350 0.000 0.000 0.283 665 T C 1.164 175.365 174.700 -0.831 0.000 1.005 665 T CA 0.134 61.870 62.100 -0.606 0.000 1.041 665 T CB 1.751 70.417 68.868 -0.335 0.000 1.042 665 T HN 0.205 nan 8.240 nan 0.000 0.505 666 E N 0.305 120.197 120.200 -0.513 0.000 2.160 666 E HA -0.212 4.138 4.350 0.000 0.000 0.195 666 E C 1.890 178.347 176.600 -0.239 0.000 0.991 666 E CA 1.283 57.447 56.400 -0.393 0.000 0.810 666 E CB -0.023 29.583 29.700 -0.156 0.000 0.742 666 E HN 0.914 nan 8.360 nan 0.000 0.466 667 E N 1.130 121.207 120.200 -0.205 0.000 2.058 667 E HA -0.218 4.132 4.350 0.000 0.000 0.194 667 E C 2.085 178.618 176.600 -0.113 0.000 0.997 667 E CA 1.161 57.492 56.400 -0.115 0.000 0.801 667 E CB -0.069 29.569 29.700 -0.103 0.000 0.746 667 E HN 0.199 nan 8.360 nan 0.000 0.450 668 A N 0.355 123.042 122.820 -0.222 0.000 1.877 668 A HA -0.161 4.160 4.320 0.000 0.000 0.216 668 A C 2.032 179.601 177.584 -0.026 0.000 1.186 668 A CA 1.470 53.405 52.037 -0.171 0.000 0.620 668 A CB -1.131 17.697 19.000 -0.286 0.000 0.822 668 A HN 0.516 nan 8.150 nan 0.000 0.443 669 Y N 0.339 120.586 120.300 -0.088 0.000 2.128 669 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 669 Y C 2.022 178.049 175.900 0.213 0.000 1.154 669 Y CA 0.777 58.892 58.100 0.026 0.000 1.149 669 Y CB -0.189 37.960 38.460 -0.519 0.000 0.976 669 Y HN 0.294 nan 8.280 nan 0.000 0.505 670 D N 0.247 120.806 120.400 0.265 0.000 2.371 670 D HA -0.085 4.555 4.640 0.000 0.000 0.221 670 D C 1.841 178.247 176.300 0.176 0.000 0.986 670 D CA 0.765 54.909 54.000 0.239 0.000 0.899 670 D CB -0.152 40.746 40.800 0.162 0.000 0.902 670 D HN 0.451 nan 8.370 nan 0.000 0.530 671 I N 0.856 121.521 120.570 0.158 0.000 2.315 671 I HA -0.150 4.020 4.170 0.000 0.000 0.248 671 I C 1.016 177.226 176.117 0.155 0.000 1.117 671 I CA 0.433 61.810 61.300 0.129 0.000 1.404 671 I CB 0.017 38.094 38.000 0.127 0.000 1.071 671 I HN -0.137 nan 8.210 nan 0.000 0.419 672 I N 2.479 123.186 120.570 0.228 0.000 2.662 672 I HA -0.109 4.061 4.170 0.000 0.000 0.285 672 I C 0.597 176.766 176.117 0.087 0.000 1.161 672 I CA 0.233 61.652 61.300 0.198 0.000 1.415 672 I CB -0.232 37.888 38.000 0.201 0.000 1.385 672 I HN 0.182 nan 8.210 nan 0.000 0.552 673 N N 7.302 125.990 118.700 -0.019 0.000 2.555 673 N HA 0.113 4.853 4.740 0.000 0.000 0.244 673 N C 0.976 176.462 175.510 -0.041 0.000 1.114 673 N CA -0.017 53.009 53.050 -0.040 0.000 0.963 673 N CB 0.488 38.914 38.487 -0.101 0.000 1.276 673 N HN 0.479 nan 8.380 nan 0.000 0.510 674 R N 1.916 122.409 120.500 -0.012 0.000 2.096 674 R HA -0.125 4.215 4.340 0.000 0.000 0.235 674 R C 0.998 177.273 176.300 -0.043 0.000 1.127 674 R CA 1.378 57.456 56.100 -0.037 0.000 0.968 674 R CB 0.182 30.464 30.300 -0.030 0.000 0.861 674 R HN 0.457 nan 8.270 nan 0.000 0.440 675 E N 0.742 120.920 120.200 -0.038 0.000 2.038 675 E HA -0.161 4.189 4.350 0.000 0.000 0.195 675 E C 1.833 178.399 176.600 -0.057 0.000 1.000 675 E CA 1.230 57.600 56.400 -0.050 0.000 0.803 675 E CB 0.029 29.704 29.700 -0.042 0.000 0.750 675 E HN 0.054 nan 8.360 nan 0.000 0.448 676 K N 0.178 120.546 120.400 -0.053 0.000 2.148 676 K HA -0.051 4.269 4.320 0.000 0.000 0.204 676 K C 2.093 178.688 176.600 -0.008 0.000 1.050 676 K CA 0.417 56.675 56.287 -0.047 0.000 0.942 676 K CB -0.483 31.968 32.500 -0.081 0.000 0.724 676 K HN 0.127 nan 8.250 nan 0.000 0.446 677 L N 1.206 122.419 121.223 -0.016 0.000 2.017 677 L HA -0.127 4.214 4.340 0.000 0.000 0.208 677 L C 2.093 179.018 176.870 0.092 0.000 1.073 677 L CA 1.354 56.223 54.840 0.049 0.000 0.745 677 L CB -0.737 41.331 42.059 0.017 0.000 0.894 677 L HN 0.062 nan 8.230 nan 0.000 0.432 678 L N -0.552 120.680 121.223 0.016 0.000 2.056 678 L HA -0.206 4.134 4.340 0.000 0.000 0.207 678 L C 2.487 179.344 176.870 -0.021 0.000 1.078 678 L CA 1.747 56.585 54.840 -0.003 0.000 0.749 678 L CB -0.787 41.220 42.059 -0.087 0.000 0.901 678 L HN 0.441 nan 8.230 nan 0.000 0.433 679 Q N -1.939 117.822 119.800 -0.065 0.000 2.084 679 Q HA -0.270 4.070 4.340 0.000 0.000 0.202 679 Q C 2.147 178.203 176.000 0.092 0.000 0.978 679 Q CA 2.023 57.789 55.803 -0.063 0.000 0.844 679 Q CB -0.451 28.254 28.738 -0.055 0.000 0.898 679 Q HN 0.604 nan 8.270 nan 0.000 0.426 680 Y N 1.347 121.647 120.300 -0.000 0.000 2.145 680 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 680 Y C 1.781 177.732 175.900 0.085 0.000 1.145 680 Y CA 1.339 59.454 58.100 0.025 0.000 1.148 680 Y CB -0.322 38.139 38.460 0.003 0.000 0.981 680 Y HN 0.014 nan 8.280 nan 0.000 0.507 681 L N -1.432 119.802 121.223 0.018 0.000 2.042 681 L HA -0.291 4.049 4.340 0.000 0.000 0.210 681 L C 2.248 179.178 176.870 0.101 0.000 1.076 681 L CA 1.560 56.406 54.840 0.010 0.000 0.749 681 L CB -0.946 41.170 42.059 0.094 0.000 0.893 681 L HN 0.211 nan 8.230 nan 0.000 0.432 682 Y N 0.650 120.900 120.300 -0.083 0.000 2.207 682 Y HA -0.265 4.285 4.550 0.000 0.000 0.287 682 Y C 3.098 178.907 175.900 -0.151 0.000 1.156 682 Y CA 1.438 59.469 58.100 -0.115 0.000 1.182 682 Y CB -0.728 37.679 38.460 -0.088 0.000 0.979 682 Y HN 0.302 nan 8.280 nan 0.000 0.521 683 S N -0.883 114.824 115.700 0.012 0.000 2.547 683 S HA -0.075 4.395 4.470 0.000 0.000 0.235 683 S C 1.457 175.958 174.600 -0.165 0.000 0.980 683 S CA 0.970 59.127 58.200 -0.071 0.000 0.941 683 S CB -0.630 62.551 63.200 -0.032 0.000 0.763 683 S HN 0.481 nan 8.310 nan 0.000 0.532 684 L N -0.582 120.515 121.223 -0.209 0.000 2.701 684 L HA 0.401 4.741 4.340 0.000 0.000 0.238 684 L C 0.643 177.344 176.870 -0.281 0.000 1.106 684 L CA -0.357 54.361 54.840 -0.203 0.000 0.898 684 L CB 0.028 41.981 42.059 -0.176 0.000 1.188 684 L HN 0.065 nan 8.230 nan 0.000 0.508 685 K N 1.952 122.086 120.400 -0.445 0.000 2.379 685 K HA 0.106 4.426 4.320 0.000 0.000 0.284 685 K C -0.178 176.065 176.600 -0.596 0.000 1.044 685 K CA 0.271 56.030 56.287 -0.880 0.000 0.974 685 K CB 0.473 32.443 32.500 -0.884 0.000 0.962 685 K HN -0.079 nan 8.250 nan 0.000 0.474 686 Q N 5.272 124.698 119.800 -0.623 0.000 2.214 686 Q HA 0.231 4.572 4.340 0.000 0.000 0.251 686 Q C -1.719 174.063 176.000 -0.364 0.000 0.936 686 Q CA -2.086 53.469 55.803 -0.414 0.000 0.894 686 Q CB 0.979 29.487 28.738 -0.384 0.000 1.252 686 Q HN 0.515 nan 8.270 nan 0.000 0.448 687 P HA -0.163 nan 4.420 nan 0.000 0.220 687 P C 0.350 177.560 177.300 -0.150 0.000 1.148 687 P CA 1.279 64.267 63.100 -0.186 0.000 0.803 687 P CB 0.283 31.904 31.700 -0.131 0.000 0.782 688 D N -1.356 118.954 120.400 -0.151 0.000 2.336 688 D HA 0.093 4.733 4.640 0.000 0.000 0.229 688 D C 1.476 177.732 176.300 -0.073 0.000 1.061 688 D CA 0.558 54.520 54.000 -0.062 0.000 0.875 688 D CB -0.713 40.096 40.800 0.015 0.000 0.904 688 D HN 0.286 nan 8.370 nan 0.000 0.525 689 G N -0.073 108.599 108.800 -0.213 0.000 2.234 689 G HA2 -0.277 3.683 3.960 0.000 0.000 0.235 689 G HA3 -0.277 3.683 3.960 0.000 0.000 0.235 689 G C 0.492 175.160 174.900 -0.385 0.000 0.997 689 G CA 0.334 45.320 45.100 -0.190 0.000 0.623 689 G HN 0.815 nan 8.290 nan 0.000 0.514 690 S N -0.280 114.965 115.700 -0.758 0.000 2.655 690 S HA 0.818 5.288 4.470 0.000 0.000 0.265 690 S C -0.325 173.872 174.600 -0.671 0.000 1.240 690 S CA -0.411 57.177 58.200 -1.021 0.000 0.986 690 S CB 1.480 63.662 63.200 -1.697 0.000 0.985 690 S HN 0.554 nan 8.310 nan 0.000 0.562 691 F N -0.454 119.204 119.950 -0.487 0.000 2.563 691 F HA 0.525 5.053 4.527 0.000 0.000 0.316 691 F C -0.054 175.584 175.800 -0.270 0.000 1.076 691 F CA -1.051 56.764 58.000 -0.308 0.000 0.921 691 F CB 1.524 40.404 39.000 -0.200 0.000 1.209 691 F HN 0.450 nan 8.300 nan 0.000 0.462 692 L N 3.390 124.575 121.223 -0.063 0.000 2.418 692 L HA 0.178 4.519 4.340 0.000 0.000 0.265 692 L C 1.238 178.070 176.870 -0.063 0.000 1.143 692 L CA -0.672 54.104 54.840 -0.107 0.000 0.809 692 L CB 0.611 42.569 42.059 -0.168 0.000 1.124 692 L HN 0.666 nan 8.230 nan 0.000 0.456 693 M N 0.673 120.230 119.600 -0.072 0.000 2.319 693 M HA -0.009 4.472 4.480 0.000 0.000 0.265 693 M C 0.406 176.606 176.300 -0.166 0.000 1.068 693 M CA 1.226 56.469 55.300 -0.095 0.000 1.118 693 M CB -1.031 31.548 32.600 -0.036 0.000 1.395 693 M HN 0.796 nan 8.290 nan 0.000 0.435 694 H N -4.992 113.964 119.070 -0.190 0.000 2.950 694 H HA 0.458 5.014 4.556 0.000 0.000 0.307 694 H C -0.902 174.422 175.328 -0.006 0.000 1.403 694 H CA -1.248 54.771 56.048 -0.049 0.000 1.145 694 H CB 0.525 30.287 29.762 -0.001 0.000 1.844 694 H HN -0.256 nan 8.280 nan 0.000 0.515 695 V N 1.664 121.609 119.914 0.051 0.000 2.557 695 V HA 0.226 4.346 4.120 0.000 0.000 0.301 695 V C 1.611 177.599 176.094 -0.177 0.000 1.026 695 V CA 1.661 63.925 62.300 -0.060 0.000 1.137 695 V CB 0.096 31.921 31.823 0.004 0.000 0.917 695 V HN 1.389 nan 8.190 nan 0.000 0.484 696 G N 3.506 112.188 108.800 -0.196 0.000 2.179 696 G HA2 -0.156 3.804 3.960 0.000 0.000 0.257 696 G HA3 -0.156 3.804 3.960 0.000 0.000 0.257 696 G C 0.471 175.185 174.900 -0.311 0.000 1.010 696 G CA 0.187 45.183 45.100 -0.172 0.000 0.736 696 G HN 1.365 nan 8.290 nan 0.000 0.513 697 G N -0.789 107.657 108.800 -0.590 0.000 2.552 697 G HA2 0.692 4.652 3.960 0.000 0.000 0.318 697 G HA3 0.692 4.652 3.960 0.000 0.000 0.318 697 G C 0.232 174.997 174.900 -0.226 0.000 1.240 697 G CA 0.137 44.836 45.100 -0.669 0.000 1.002 697 G HN 0.636 nan 8.290 nan 0.000 0.493 698 E N -1.054 119.110 120.200 -0.060 0.000 2.371 698 E HA 0.329 4.679 4.350 0.000 0.000 0.257 698 E C -0.775 175.822 176.600 -0.006 0.000 1.134 698 E CA -0.568 55.834 56.400 0.004 0.000 0.919 698 E CB 1.624 31.371 29.700 0.079 0.000 1.025 698 E HN 0.492 nan 8.360 nan 0.000 0.438 699 V N 1.081 120.995 119.914 -0.001 0.000 2.604 699 V HA 0.608 4.728 4.120 0.000 0.000 0.305 699 V C -1.686 174.441 176.094 0.055 0.000 1.043 699 V CA -0.023 62.267 62.300 -0.017 0.000 0.888 699 V CB 1.319 33.083 31.823 -0.099 0.000 0.995 699 V HN 0.992 nan 8.190 nan 0.000 0.429 700 D N 3.129 123.579 120.400 0.085 0.000 2.710 700 D HA 0.269 4.910 4.640 0.000 0.000 0.276 700 D C 0.348 176.793 176.300 0.241 0.000 1.267 700 D CA -0.143 53.947 54.000 0.150 0.000 0.772 700 D CB 1.478 42.260 40.800 -0.030 0.000 1.299 700 D HN 0.296 nan 8.370 nan 0.000 0.421 701 V N 0.178 120.258 119.914 0.277 0.000 2.660 701 V HA -0.229 3.891 4.120 0.000 0.000 0.257 701 V C 2.280 178.557 176.094 0.305 0.000 1.088 701 V CA 1.806 64.329 62.300 0.371 0.000 1.106 701 V CB -1.093 30.865 31.823 0.224 0.000 0.686 701 V HN 0.521 nan 8.190 nan 0.000 0.481 702 R N 1.220 121.909 120.500 0.314 0.000 2.105 702 R HA -0.169 4.171 4.340 0.000 0.000 0.239 702 R C 2.696 179.138 176.300 0.237 0.000 1.135 702 R CA 1.757 58.042 56.100 0.307 0.000 0.967 702 R CB -0.596 29.893 30.300 0.314 0.000 0.861 702 R HN 0.755 nan 8.270 nan 0.000 0.442 703 S N 0.798 116.601 115.700 0.172 0.000 2.368 703 S HA -0.137 4.333 4.470 0.000 0.000 0.225 703 S C 2.281 176.863 174.600 -0.030 0.000 1.030 703 S CA 1.028 59.274 58.200 0.077 0.000 0.999 703 S CB -0.312 62.932 63.200 0.073 0.000 0.844 703 S HN 0.374 nan 8.310 nan 0.000 0.459 704 A N 0.830 123.688 122.820 0.063 0.000 1.908 704 A HA -0.056 4.264 4.320 0.000 0.000 0.218 704 A C 2.120 179.704 177.584 0.001 0.000 1.181 704 A CA 1.692 53.752 52.037 0.039 0.000 0.627 704 A CB -1.263 17.875 19.000 0.231 0.000 0.818 704 A HN 0.714 nan 8.150 nan 0.000 0.445 705 Y N 0.037 120.322 120.300 -0.024 0.000 2.163 705 Y HA -0.219 4.331 4.550 0.000 0.000 0.288 705 Y C 2.558 178.435 175.900 -0.039 0.000 1.136 705 Y CA 1.252 59.325 58.100 -0.046 0.000 1.147 705 Y CB -0.907 37.549 38.460 -0.006 0.000 0.987 705 Y HN 0.365 nan 8.280 nan 0.000 0.509 706 C N 0.589 119.764 119.300 -0.208 0.000 2.413 706 C HA -0.161 4.299 4.460 0.000 0.000 0.276 706 C C 3.081 177.988 174.990 -0.139 0.000 1.236 706 C CA 1.351 60.242 59.018 -0.211 0.000 1.735 706 C CB -1.778 25.971 27.740 0.015 0.000 2.031 706 C HN 0.742 nan 8.230 nan 0.000 0.474 707 A N 0.455 123.159 122.820 -0.194 0.000 1.858 707 A HA 0.067 4.387 4.320 0.000 0.000 0.216 707 A C 2.382 179.979 177.584 0.021 0.000 1.190 707 A CA 2.149 54.067 52.037 -0.198 0.000 0.617 707 A CB -1.045 17.526 19.000 -0.715 0.000 0.827 707 A HN 0.580 nan 8.150 nan 0.000 0.443 708 A N -0.832 121.942 122.820 -0.078 0.000 1.933 708 A HA -0.106 4.215 4.320 0.000 0.000 0.218 708 A C 2.483 180.012 177.584 -0.092 0.000 1.175 708 A CA 2.249 54.150 52.037 -0.226 0.000 0.628 708 A CB -0.954 17.755 19.000 -0.484 0.000 0.814 708 A HN 0.584 nan 8.150 nan 0.000 0.444 709 S N -0.310 115.298 115.700 -0.154 0.000 2.343 709 S HA -0.163 4.307 4.470 0.000 0.000 0.219 709 S C 2.100 176.758 174.600 0.097 0.000 1.033 709 S CA 2.345 60.552 58.200 0.011 0.000 1.014 709 S CB -0.867 62.258 63.200 -0.125 0.000 0.915 709 S HN 1.020 nan 8.310 nan 0.000 0.435 710 V N 0.564 120.492 119.914 0.023 0.000 2.427 710 V HA 0.116 4.236 4.120 0.000 0.000 0.248 710 V C 2.524 178.597 176.094 -0.035 0.000 1.051 710 V CA 1.685 63.970 62.300 -0.026 0.000 1.048 710 V CB -1.680 30.138 31.823 -0.008 0.000 0.666 710 V HN 0.526 nan 8.190 nan 0.000 0.456 711 A N 1.656 124.501 122.820 0.042 0.000 1.930 711 A HA -0.113 4.207 4.320 0.000 0.000 0.217 711 A C 2.581 180.194 177.584 0.049 0.000 1.175 711 A CA 2.386 54.466 52.037 0.073 0.000 0.627 711 A CB -0.938 18.205 19.000 0.238 0.000 0.815 711 A HN 0.905 nan 8.150 nan 0.000 0.443 712 S N 0.038 115.783 115.700 0.075 0.000 2.371 712 S HA -0.040 4.430 4.470 0.000 0.000 0.224 712 S C 1.911 176.505 174.600 -0.010 0.000 1.029 712 S CA 1.260 59.502 58.200 0.071 0.000 0.978 712 S CB -0.743 62.544 63.200 0.145 0.000 0.833 712 S HN 0.415 nan 8.310 nan 0.000 0.466 713 L N 1.942 123.117 121.223 -0.080 0.000 2.046 713 L HA -0.068 4.272 4.340 0.000 0.000 0.208 713 L C 2.931 179.666 176.870 -0.225 0.000 1.077 713 L CA 1.683 56.403 54.840 -0.201 0.000 0.747 713 L CB -1.063 40.828 42.059 -0.280 0.000 0.896 713 L HN 0.612 nan 8.230 nan 0.000 0.432 714 T N -4.099 110.212 114.554 -0.405 0.000 3.169 714 T HA 0.038 4.388 4.350 0.000 0.000 0.250 714 T C 0.828 175.312 174.700 -0.360 0.000 1.111 714 T CA 0.165 61.762 62.100 -0.839 0.000 1.010 714 T CB -0.385 68.000 68.868 -0.805 0.000 0.984 714 T HN 0.352 nan 8.240 nan 0.000 0.537 715 N N 1.324 119.945 118.700 -0.132 0.000 2.696 715 N HA -0.177 4.563 4.740 0.000 0.000 0.256 715 N C 0.233 175.709 175.510 -0.057 0.000 1.031 715 N CA 0.929 53.954 53.050 -0.043 0.000 0.730 715 N CB -1.871 36.622 38.487 0.011 0.000 0.894 715 N HN 0.920 nan 8.380 nan 0.000 0.544 716 I N -2.629 117.915 120.570 -0.043 0.000 3.966 716 I HA 0.379 4.549 4.170 0.000 0.000 0.324 716 I C 0.053 176.186 176.117 0.027 0.000 1.517 716 I CA -0.661 60.620 61.300 -0.031 0.000 1.117 716 I CB 0.094 38.067 38.000 -0.046 0.000 1.190 716 I HN 0.019 nan 8.210 nan 0.000 0.466 717 I N 3.522 124.133 120.570 0.068 0.000 2.533 717 I HA 0.136 4.307 4.170 0.000 0.000 0.284 717 I C 0.804 176.977 176.117 0.093 0.000 1.109 717 I CA 0.290 61.676 61.300 0.144 0.000 1.412 717 I CB 1.158 39.294 38.000 0.227 0.000 1.396 717 I HN 0.361 nan 8.210 nan 0.000 0.543 718 T N 3.576 118.194 114.554 0.108 0.000 2.950 718 T HA 0.402 4.752 4.350 0.000 0.000 0.288 718 T C -1.485 173.280 174.700 0.108 0.000 1.035 718 T CA -1.790 60.372 62.100 0.103 0.000 1.028 718 T CB 1.796 70.763 68.868 0.164 0.000 1.109 718 T HN 0.385 nan 8.240 nan 0.000 0.514 719 P HA -0.114 nan 4.420 nan 0.000 0.218 719 P C 0.843 178.183 177.300 0.067 0.000 1.148 719 P CA 1.336 64.492 63.100 0.093 0.000 0.822 719 P CB 0.086 31.839 31.700 0.088 0.000 0.784 720 D N -0.636 119.784 120.400 0.034 0.000 2.346 720 D HA -0.059 4.581 4.640 0.000 0.000 0.206 720 D C 2.026 178.219 176.300 -0.178 0.000 1.001 720 D CA -0.005 53.966 54.000 -0.048 0.000 0.871 720 D CB -0.850 39.917 40.800 -0.055 0.000 0.943 720 D HN 0.047 nan 8.370 nan 0.000 0.518 721 L N 0.336 121.434 121.223 -0.209 0.000 2.013 721 L HA -0.113 4.227 4.340 0.000 0.000 0.212 721 L C 1.272 177.835 176.870 -0.512 0.000 1.073 721 L CA 1.730 56.288 54.840 -0.470 0.000 0.753 721 L CB -0.743 41.045 42.059 -0.453 0.000 0.890 721 L HN -0.057 nan 8.230 nan 0.000 0.432 722 F N -0.518 119.465 119.950 0.054 0.000 2.684 722 F HA 0.243 4.770 4.527 0.000 0.000 0.298 722 F C 0.696 176.515 175.800 0.031 0.000 1.120 722 F CA -0.734 57.324 58.000 0.097 0.000 1.332 722 F CB -0.266 38.805 39.000 0.117 0.000 0.986 722 F HN 0.090 nan 8.300 nan 0.000 0.524 723 E N 0.957 121.194 120.200 0.061 0.000 2.415 723 E HA 0.312 4.662 4.350 0.000 0.000 0.260 723 E C 1.265 177.877 176.600 0.019 0.000 1.016 723 E CA 0.826 57.244 56.400 0.030 0.000 0.924 723 E CB 0.502 30.181 29.700 -0.035 0.000 0.961 723 E HN 0.446 nan 8.360 nan 0.000 0.459 724 G N 3.405 112.240 108.800 0.059 0.000 2.267 724 G HA2 -0.373 3.587 3.960 0.000 0.000 0.257 724 G HA3 -0.373 3.587 3.960 0.000 0.000 0.257 724 G C 1.213 176.194 174.900 0.135 0.000 0.998 724 G CA 0.618 45.758 45.100 0.067 0.000 0.620 724 G HN 0.608 nan 8.290 nan 0.000 0.529 725 T N 1.215 115.876 114.554 0.178 0.000 2.708 725 T HA 0.106 4.457 4.350 0.000 0.000 0.266 725 T C 2.794 177.654 174.700 0.265 0.000 1.037 725 T CA 2.658 64.923 62.100 0.276 0.000 1.146 725 T CB -0.527 68.602 68.868 0.435 0.000 0.865 725 T HN 1.269 nan 8.240 nan 0.000 0.435 726 A N 1.576 124.502 122.820 0.177 0.000 1.908 726 A HA -0.168 4.152 4.320 0.000 0.000 0.218 726 A C 2.229 179.876 177.584 0.105 0.000 1.181 726 A CA 1.837 53.943 52.037 0.115 0.000 0.627 726 A CB -0.571 18.471 19.000 0.070 0.000 0.818 726 A HN 0.440 nan 8.150 nan 0.000 0.445 727 E N -1.473 118.794 120.200 0.113 0.000 2.106 727 E HA -0.179 4.171 4.350 0.000 0.000 0.192 727 E C 1.561 178.218 176.600 0.094 0.000 0.984 727 E CA 1.190 57.639 56.400 0.080 0.000 0.806 727 E CB -0.391 29.354 29.700 0.075 0.000 0.750 727 E HN 0.843 nan 8.360 nan 0.000 0.458 728 W N 0.902 122.203 121.300 0.001 0.000 2.358 728 W HA -0.090 4.570 4.660 0.000 0.000 0.303 728 W C 1.690 178.201 176.519 -0.014 0.000 1.208 728 W CA 1.390 58.731 57.345 -0.007 0.000 1.274 728 W CB -0.150 29.312 29.460 0.004 0.000 1.138 728 W HN -0.016 nan 8.180 nan 0.000 0.515 729 I N 0.593 121.259 120.570 0.160 0.000 2.226 729 I HA -0.312 3.859 4.170 0.000 0.000 0.245 729 I C 2.607 178.616 176.117 -0.180 0.000 1.100 729 I CA 1.461 62.750 61.300 -0.019 0.000 1.374 729 I CB -1.094 36.972 38.000 0.110 0.000 1.057 729 I HN 0.068 nan 8.210 nan 0.000 0.413 730 A N 0.793 123.547 122.820 -0.109 0.000 1.940 730 A HA -0.214 4.106 4.320 0.000 0.000 0.219 730 A C 2.341 179.811 177.584 -0.190 0.000 1.176 730 A CA 1.483 53.445 52.037 -0.124 0.000 0.631 730 A CB -0.606 18.354 19.000 -0.068 0.000 0.814 730 A HN 0.342 nan 8.150 nan 0.000 0.446 731 R N -1.242 119.105 120.500 -0.255 0.000 2.237 731 R HA -0.094 4.247 4.340 0.000 0.000 0.219 731 R C 1.722 177.796 176.300 -0.376 0.000 1.080 731 R CA 1.191 57.113 56.100 -0.297 0.000 0.995 731 R CB -0.557 29.536 30.300 -0.345 0.000 0.875 731 R HN 0.616 nan 8.270 nan 0.000 0.462 732 C N 0.237 119.253 119.300 -0.474 0.000 2.514 732 C HA 0.012 4.472 4.460 0.000 0.000 0.271 732 C C 1.327 176.120 174.990 -0.327 0.000 1.399 732 C CA -0.389 58.354 59.018 -0.458 0.000 1.765 732 C CB -0.724 26.685 27.740 -0.551 0.000 1.893 732 C HN 0.459 nan 8.230 nan 0.000 0.531 733 Q N 2.614 122.247 119.800 -0.279 0.000 2.332 733 Q HA 0.162 4.502 4.340 0.000 0.000 0.263 733 Q C 0.116 175.964 176.000 -0.253 0.000 0.979 733 Q CA 0.342 55.981 55.803 -0.274 0.000 0.885 733 Q CB 0.591 29.201 28.738 -0.213 0.000 1.218 733 Q HN 0.702 nan 8.270 nan 0.000 0.405 734 N N 3.328 121.835 118.700 -0.321 0.000 2.906 734 N HA 0.139 4.879 4.740 0.000 0.000 0.327 734 N C 0.773 176.132 175.510 -0.251 0.000 1.344 734 N CA -0.599 52.297 53.050 -0.257 0.000 0.823 734 N CB -0.442 37.855 38.487 -0.317 0.000 1.351 734 N HN 0.892 nan 8.380 nan 0.000 0.604 735 W N -0.498 120.740 121.300 -0.104 0.000 2.359 735 W HA -0.045 4.616 4.660 0.000 0.000 0.275 735 W C 0.425 176.912 176.519 -0.053 0.000 1.217 735 W CA 0.869 58.175 57.345 -0.065 0.000 1.196 735 W CB -0.915 28.521 29.460 -0.041 0.000 1.129 735 W HN 0.580 nan 8.180 nan 0.000 0.566 736 E N 0.179 119.844 120.200 -0.891 0.000 2.285 736 E HA 0.124 4.475 4.350 0.000 0.000 0.194 736 E C 2.139 178.518 176.600 -0.368 0.000 0.997 736 E CA 0.960 56.919 56.400 -0.734 0.000 0.845 736 E CB -0.329 28.752 29.700 -1.032 0.000 0.782 736 E HN 0.425 nan 8.360 nan 0.000 0.491 737 G N 0.674 109.217 108.800 -0.428 0.000 2.284 737 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 737 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 737 G C 0.598 175.198 174.900 -0.501 0.000 1.009 737 G CA -0.235 44.701 45.100 -0.273 0.000 0.625 737 G HN 0.523 nan 8.290 nan 0.000 0.501 738 G N -0.312 107.772 108.800 -1.194 0.000 2.535 738 G HA2 0.617 4.578 3.960 0.000 0.000 0.282 738 G HA3 0.617 4.578 3.960 0.000 0.000 0.282 738 G C -0.170 174.191 174.900 -0.898 0.000 1.350 738 G CA -0.422 43.701 45.100 -1.628 0.000 1.039 738 G HN 0.700 nan 8.290 nan 0.000 0.509 739 I N 0.025 120.177 120.570 -0.696 0.000 2.474 739 I HA 0.481 4.652 4.170 0.000 0.000 0.294 739 I C 0.767 176.732 176.117 -0.253 0.000 1.005 739 I CA -0.732 60.339 61.300 -0.383 0.000 1.113 739 I CB 2.137 39.996 38.000 -0.235 0.000 1.289 739 I HN 0.586 nan 8.210 nan 0.000 0.436 740 G N 2.479 111.134 108.800 -0.243 0.000 2.521 740 G HA2 0.436 4.396 3.960 0.000 0.000 0.323 740 G HA3 0.436 4.396 3.960 0.000 0.000 0.323 740 G C 0.891 175.579 174.900 -0.352 0.000 1.211 740 G CA -0.206 44.791 45.100 -0.173 0.000 0.979 740 G HN 0.792 nan 8.290 nan 0.000 0.490 741 G N -1.349 107.053 108.800 -0.664 0.000 2.442 741 G HA2 0.196 4.157 3.960 0.000 0.000 0.219 741 G HA3 0.196 4.157 3.960 0.000 0.000 0.219 741 G C 0.690 175.293 174.900 -0.496 0.000 1.141 741 G CA 1.999 46.335 45.100 -1.274 0.000 0.763 741 G HN 1.545 nan 8.290 nan 0.000 0.554 742 V N -5.075 114.644 119.914 -0.325 0.000 3.206 742 V HA 0.663 4.783 4.120 0.000 0.000 0.305 742 V C -3.054 172.862 176.094 -0.297 0.000 1.257 742 V CA -2.947 59.217 62.300 -0.227 0.000 1.057 742 V CB 1.657 33.474 31.823 -0.010 0.000 1.075 742 V HN -0.132 nan 8.190 nan 0.000 0.443 743 P HA 0.373 nan 4.420 nan 0.000 0.262 743 P C 0.954 178.167 177.300 -0.145 0.000 1.182 743 P CA 2.137 65.067 63.100 -0.282 0.000 0.761 743 P CB 0.662 32.195 31.700 -0.278 0.000 0.795 744 G N 1.946 110.680 108.800 -0.111 0.000 2.284 744 G HA2 -0.212 3.748 3.960 0.000 0.000 0.230 744 G HA3 -0.212 3.748 3.960 0.000 0.000 0.230 744 G C 0.251 175.146 174.900 -0.008 0.000 1.021 744 G CA -0.401 44.678 45.100 -0.034 0.000 0.619 744 G HN 0.401 nan 8.290 nan 0.000 0.510 745 M N 1.477 121.042 119.600 -0.058 0.000 2.247 745 M HA 0.386 4.866 4.480 0.000 0.000 0.326 745 M C 0.780 177.055 176.300 -0.042 0.000 1.134 745 M CA -0.753 54.528 55.300 -0.032 0.000 1.136 745 M CB 0.783 33.347 32.600 -0.060 0.000 1.454 745 M HN 0.424 nan 8.290 nan 0.000 0.467 746 E N 1.144 121.355 120.200 0.017 0.000 2.442 746 E HA 0.226 4.576 4.350 0.000 0.000 0.262 746 E C -0.678 175.885 176.600 -0.063 0.000 1.004 746 E CA -0.344 56.054 56.400 -0.004 0.000 0.928 746 E CB 0.689 30.442 29.700 0.088 0.000 0.937 746 E HN 0.681 nan 8.360 nan 0.000 0.446 747 A N 5.137 127.817 122.820 -0.232 0.000 2.488 747 A HA 0.086 4.406 4.320 0.000 0.000 0.249 747 A C -0.500 177.078 177.584 -0.011 0.000 1.083 747 A CA 0.078 51.892 52.037 -0.371 0.000 0.768 747 A CB 0.303 18.721 19.000 -0.970 0.000 1.017 747 A HN 0.709 nan 8.150 nan 0.000 0.496 748 H N 1.668 120.718 119.070 -0.032 0.000 2.771 748 H HA 0.387 4.943 4.556 0.000 0.000 0.361 748 H C 1.246 176.659 175.328 0.143 0.000 1.108 748 H CA 0.167 56.279 56.048 0.107 0.000 1.201 748 H CB 1.828 31.611 29.762 0.034 0.000 1.681 748 H HN 0.671 nan 8.280 nan 0.000 0.534 749 G N 2.413 111.257 108.800 0.072 0.000 2.469 749 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 749 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 749 G C 1.505 176.526 174.900 0.202 0.000 1.136 749 G CA 0.894 46.097 45.100 0.172 0.000 0.759 749 G HN 0.674 nan 8.290 nan 0.000 0.562 750 G N -0.086 108.819 108.800 0.175 0.000 2.433 750 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 750 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 750 G C 1.616 176.378 174.900 -0.230 0.000 1.186 750 G CA 0.880 45.775 45.100 -0.342 0.000 0.779 750 G HN 0.533 nan 8.290 nan 0.000 0.543 751 Y N 0.757 121.044 120.300 -0.021 0.000 2.373 751 Y HA -0.046 4.504 4.550 0.000 0.000 0.293 751 Y C 3.292 179.165 175.900 -0.045 0.000 1.129 751 Y CA 0.999 59.073 58.100 -0.042 0.000 1.226 751 Y CB -0.020 38.409 38.460 -0.052 0.000 1.000 751 Y HN 0.127 nan 8.280 nan 0.000 0.549 752 T N 0.339 114.964 114.554 0.119 0.000 2.812 752 T HA -0.191 4.159 4.350 0.000 0.000 0.264 752 T C 1.522 176.237 174.700 0.025 0.000 1.042 752 T CA 1.228 63.340 62.100 0.021 0.000 1.140 752 T CB -0.563 68.324 68.868 0.033 0.000 0.870 752 T HN 0.325 nan 8.240 nan 0.000 0.445 753 F N 1.547 121.495 119.950 -0.004 0.000 2.075 753 F HA -0.156 4.371 4.527 0.000 0.000 0.297 753 F C 2.449 178.156 175.800 -0.156 0.000 1.113 753 F CA 0.709 58.682 58.000 -0.046 0.000 1.218 753 F CB -0.839 38.224 39.000 0.105 0.000 0.984 753 F HN 0.144 nan 8.300 nan 0.000 0.472 754 C N 0.852 120.062 119.300 -0.151 0.000 2.413 754 C HA -0.145 4.315 4.460 0.000 0.000 0.276 754 C C 3.108 177.993 174.990 -0.175 0.000 1.236 754 C CA 1.384 60.231 59.018 -0.285 0.000 1.735 754 C CB -1.948 25.827 27.740 0.059 0.000 2.031 754 C HN 0.746 nan 8.230 nan 0.000 0.474 755 G N -0.095 108.658 108.800 -0.078 0.000 2.433 755 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 755 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 755 G C 1.501 176.332 174.900 -0.114 0.000 1.186 755 G CA 1.000 46.070 45.100 -0.049 0.000 0.779 755 G HN 0.452 nan 8.290 nan 0.000 0.543 756 L N 1.322 122.434 121.223 -0.186 0.000 2.056 756 L HA 0.253 4.593 4.340 0.000 0.000 0.207 756 L C 3.033 179.757 176.870 -0.243 0.000 1.078 756 L CA 2.011 56.739 54.840 -0.185 0.000 0.749 756 L CB -0.730 41.227 42.059 -0.169 0.000 0.901 756 L HN 0.233 nan 8.230 nan 0.000 0.433 757 A N -0.461 122.087 122.820 -0.452 0.000 1.933 757 A HA -0.092 4.228 4.320 0.000 0.000 0.218 757 A C 2.446 179.954 177.584 -0.127 0.000 1.175 757 A CA 1.741 53.529 52.037 -0.415 0.000 0.628 757 A CB -1.100 17.369 19.000 -0.885 0.000 0.814 757 A HN 0.558 nan 8.150 nan 0.000 0.444 758 A N -0.259 122.537 122.820 -0.039 0.000 1.902 758 A HA -0.021 4.299 4.320 0.000 0.000 0.217 758 A C 2.153 179.681 177.584 -0.093 0.000 1.181 758 A CA 1.447 53.478 52.037 -0.009 0.000 0.623 758 A CB -0.588 18.440 19.000 0.046 0.000 0.818 758 A HN 0.466 nan 8.150 nan 0.000 0.443 759 L N -0.502 120.676 121.223 -0.074 0.000 2.083 759 L HA -0.147 4.193 4.340 0.000 0.000 0.209 759 L C 2.491 179.325 176.870 -0.060 0.000 1.083 759 L CA 0.849 55.653 54.840 -0.061 0.000 0.752 759 L CB -0.480 41.553 42.059 -0.045 0.000 0.899 759 L HN 0.247 nan 8.230 nan 0.000 0.433 760 V N 0.196 120.070 119.914 -0.067 0.000 2.343 760 V HA -0.292 3.829 4.120 0.000 0.000 0.247 760 V C 2.306 178.381 176.094 -0.032 0.000 1.051 760 V CA 1.765 64.042 62.300 -0.039 0.000 1.036 760 V CB -0.273 31.526 31.823 -0.040 0.000 0.654 760 V HN 0.322 nan 8.190 nan 0.000 0.451 761 I N -0.343 120.185 120.570 -0.070 0.000 2.226 761 I HA -0.238 3.932 4.170 0.000 0.000 0.245 761 I C 2.022 178.091 176.117 -0.079 0.000 1.100 761 I CA 1.608 62.865 61.300 -0.070 0.000 1.374 761 I CB -0.221 37.700 38.000 -0.131 0.000 1.057 761 I HN 0.258 nan 8.210 nan 0.000 0.413 762 L N 0.314 121.463 121.223 -0.123 0.000 2.599 762 L HA 0.009 4.349 4.340 0.000 0.000 0.230 762 L C 0.575 177.429 176.870 -0.027 0.000 1.141 762 L CA 0.281 55.059 54.840 -0.102 0.000 0.877 762 L CB -0.404 41.573 42.059 -0.137 0.000 1.009 762 L HN 0.220 nan 8.230 nan 0.000 0.447 763 K N 0.670 121.061 120.400 -0.015 0.000 3.117 763 K HA -0.173 4.147 4.320 0.000 0.000 0.269 763 K C 0.145 176.750 176.600 0.008 0.000 1.098 763 K CA 0.246 56.538 56.287 0.008 0.000 0.785 763 K CB -0.835 31.678 32.500 0.022 0.000 1.242 763 K HN 0.230 nan 8.250 nan 0.000 0.491 764 R N -0.034 120.464 120.500 -0.002 0.000 2.659 764 R HA 0.066 4.406 4.340 0.000 0.000 0.418 764 R C 0.517 176.815 176.300 -0.003 0.000 1.076 764 R CA -0.015 56.087 56.100 0.003 0.000 1.093 764 R CB 0.461 30.767 30.300 0.009 0.000 1.400 764 R HN 0.264 nan 8.270 nan 0.000 0.583 765 E N 0.769 120.965 120.200 -0.006 0.000 2.130 765 E HA -0.132 4.218 4.350 0.000 0.000 0.196 765 E C 1.491 178.087 176.600 -0.007 0.000 0.998 765 E CA 1.121 57.515 56.400 -0.010 0.000 0.806 765 E CB -0.062 29.636 29.700 -0.003 0.000 0.738 765 E HN 0.141 nan 8.360 nan 0.000 0.459 766 R N 0.363 120.863 120.500 0.000 0.000 2.341 766 R HA 0.005 4.345 4.340 0.000 0.000 0.213 766 R C 1.702 178.000 176.300 -0.003 0.000 1.082 766 R CA 0.767 56.868 56.100 0.001 0.000 1.017 766 R CB -0.138 30.165 30.300 0.005 0.000 0.860 766 R HN 0.078 nan 8.270 nan 0.000 0.473 767 S N 0.511 116.208 115.700 -0.006 0.000 2.481 767 S HA 0.039 4.509 4.470 0.000 0.000 0.231 767 S C 0.872 175.459 174.600 -0.022 0.000 0.996 767 S CA 0.568 58.762 58.200 -0.009 0.000 0.942 767 S CB 0.079 63.277 63.200 -0.004 0.000 0.768 767 S HN 0.161 nan 8.310 nan 0.000 0.520 768 L N 1.503 122.710 121.223 -0.027 0.000 2.358 768 L HA 0.416 4.757 4.340 0.000 0.000 0.268 768 L C 0.418 177.272 176.870 -0.027 0.000 1.032 768 L CA -0.859 53.957 54.840 -0.040 0.000 0.805 768 L CB 0.380 42.410 42.059 -0.049 0.000 1.253 768 L HN -0.014 nan 8.230 nan 0.000 0.452 769 N N 1.488 120.169 118.700 -0.032 0.000 2.521 769 N HA 0.168 4.908 4.740 0.000 0.000 0.236 769 N C 0.567 176.073 175.510 -0.006 0.000 1.067 769 N CA 0.020 53.061 53.050 -0.015 0.000 0.939 769 N CB 0.680 39.156 38.487 -0.018 0.000 1.201 769 N HN 0.578 nan 8.380 nan 0.000 0.511 770 L N 2.342 123.569 121.223 0.006 0.000 2.201 770 L HA -0.105 4.235 4.340 0.000 0.000 0.212 770 L C 2.345 179.240 176.870 0.041 0.000 1.105 770 L CA 0.854 55.707 54.840 0.022 0.000 0.775 770 L CB -0.152 41.922 42.059 0.026 0.000 0.913 770 L HN 0.528 nan 8.230 nan 0.000 0.440 771 K N 0.600 121.022 120.400 0.037 0.000 2.025 771 K HA -0.173 4.147 4.320 0.000 0.000 0.207 771 K C 2.376 179.014 176.600 0.062 0.000 1.049 771 K CA 1.783 58.100 56.287 0.050 0.000 0.933 771 K CB -0.006 32.518 32.500 0.041 0.000 0.714 771 K HN 0.326 nan 8.250 nan 0.000 0.438 772 S N 1.016 116.744 115.700 0.048 0.000 2.402 772 S HA -0.136 4.334 4.470 0.000 0.000 0.229 772 S C 2.074 176.726 174.600 0.088 0.000 1.021 772 S CA 0.758 58.992 58.200 0.058 0.000 0.974 772 S CB -0.441 62.772 63.200 0.021 0.000 0.800 772 S HN 0.397 nan 8.310 nan 0.000 0.484 773 L N 0.190 121.451 121.223 0.064 0.000 2.056 773 L HA 0.051 4.391 4.340 0.000 0.000 0.207 773 L C 2.486 179.476 176.870 0.200 0.000 1.078 773 L CA 1.169 56.070 54.840 0.103 0.000 0.749 773 L CB -0.342 41.739 42.059 0.036 0.000 0.901 773 L HN 0.367 nan 8.230 nan 0.000 0.433 774 L N -0.084 121.225 121.223 0.142 0.000 2.017 774 L HA -0.284 4.057 4.340 0.000 0.000 0.208 774 L C 2.494 179.455 176.870 0.152 0.000 1.073 774 L CA 2.041 56.969 54.840 0.146 0.000 0.745 774 L CB -0.643 41.488 42.059 0.120 0.000 0.894 774 L HN 0.371 nan 8.230 nan 0.000 0.432 775 Q N -1.839 118.046 119.800 0.140 0.000 2.124 775 Q HA -0.270 4.071 4.340 0.000 0.000 0.202 775 Q C 2.068 178.149 176.000 0.134 0.000 0.977 775 Q CA 2.107 57.982 55.803 0.121 0.000 0.850 775 Q CB -0.476 28.326 28.738 0.106 0.000 0.901 775 Q HN 0.667 nan 8.270 nan 0.000 0.429 776 W N -0.363 120.934 121.300 -0.004 0.000 2.378 776 W HA -0.197 4.463 4.660 0.000 0.000 0.313 776 W C 1.990 178.505 176.519 -0.006 0.000 1.197 776 W CA 1.608 58.934 57.345 -0.032 0.000 1.304 776 W CB -0.686 28.725 29.460 -0.081 0.000 1.148 776 W HN 0.048 nan 8.180 nan 0.000 0.494 777 V N 1.419 121.368 119.914 0.058 0.000 2.343 777 V HA -0.288 3.833 4.120 0.000 0.000 0.247 777 V C 2.460 178.507 176.094 -0.079 0.000 1.051 777 V CA 3.318 65.502 62.300 -0.192 0.000 1.036 777 V CB -1.185 30.692 31.823 0.089 0.000 0.654 777 V HN 0.478 nan 8.190 nan 0.000 0.451 778 T N -2.881 111.697 114.554 0.041 0.000 2.833 778 T HA -0.156 4.194 4.350 0.000 0.000 0.269 778 T C 1.879 176.560 174.700 -0.033 0.000 1.054 778 T CA 1.793 63.950 62.100 0.095 0.000 1.135 778 T CB -0.610 68.329 68.868 0.118 0.000 0.869 778 T HN 0.464 nan 8.240 nan 0.000 0.466 779 S N 0.972 116.598 115.700 -0.125 0.000 2.481 779 S HA 0.083 4.554 4.470 0.000 0.000 0.231 779 S C 1.980 176.418 174.600 -0.272 0.000 0.996 779 S CA 0.130 58.226 58.200 -0.173 0.000 0.942 779 S CB -0.188 62.914 63.200 -0.163 0.000 0.768 779 S HN 0.420 nan 8.310 nan 0.000 0.520 780 R N 1.286 121.573 120.500 -0.355 0.000 2.307 780 R HA 0.137 4.477 4.340 0.000 0.000 0.199 780 R C 0.908 177.005 176.300 -0.337 0.000 1.000 780 R CA 0.112 56.001 56.100 -0.352 0.000 1.023 780 R CB -0.371 29.659 30.300 -0.450 0.000 0.908 780 R HN 0.516 nan 8.270 nan 0.000 0.473 781 Q N 1.119 120.575 119.800 -0.573 0.000 2.286 781 Q HA 0.135 4.475 4.340 0.000 0.000 0.257 781 Q C -0.503 175.215 176.000 -0.469 0.000 0.941 781 Q CA -0.268 54.910 55.803 -1.042 0.000 0.912 781 Q CB 0.755 28.813 28.738 -1.133 0.000 1.192 781 Q HN -0.142 nan 8.270 nan 0.000 0.410 782 M N 4.594 123.964 119.600 -0.384 0.000 2.184 782 M HA 0.086 4.566 4.480 0.000 0.000 0.351 782 M C 1.114 177.362 176.300 -0.087 0.000 1.395 782 M CA 0.430 55.620 55.300 -0.182 0.000 1.117 782 M CB 0.389 32.903 32.600 -0.144 0.000 1.708 782 M HN 0.724 nan 8.290 nan 0.000 0.468 783 R N 1.518 122.001 120.500 -0.028 0.000 2.127 783 R HA -0.187 4.153 4.340 0.000 0.000 0.238 783 R C 1.411 177.764 176.300 0.088 0.000 1.134 783 R CA 1.694 57.813 56.100 0.032 0.000 0.975 783 R CB -0.480 29.831 30.300 0.018 0.000 0.865 783 R HN 0.541 nan 8.270 nan 0.000 0.447 784 F N 1.764 121.700 119.950 -0.024 0.000 2.222 784 F HA 0.146 4.673 4.527 0.000 0.000 0.285 784 F C 1.777 177.774 175.800 0.329 0.000 1.068 784 F CA 1.045 59.064 58.000 0.032 0.000 1.265 784 F CB 0.113 39.100 39.000 -0.021 0.000 1.087 784 F HN -0.111 nan 8.300 nan 0.000 0.511 785 E N 0.130 120.411 120.200 0.135 0.000 2.150 785 E HA 0.075 4.426 4.350 0.000 0.000 0.193 785 E C 1.876 178.539 176.600 0.105 0.000 0.985 785 E CA 1.290 57.731 56.400 0.069 0.000 0.814 785 E CB -0.595 29.044 29.700 -0.102 0.000 0.752 785 E HN 0.602 nan 8.360 nan 0.000 0.466 786 G N -0.275 108.521 108.800 -0.007 0.000 2.268 786 G HA2 -0.252 3.709 3.960 0.000 0.000 0.240 786 G HA3 -0.252 3.709 3.960 0.000 0.000 0.240 786 G C 0.674 175.508 174.900 -0.111 0.000 1.010 786 G CA 0.044 45.141 45.100 -0.004 0.000 0.618 786 G HN 0.638 nan 8.290 nan 0.000 0.516 787 G N -0.652 107.934 108.800 -0.356 0.000 2.525 787 G HA2 0.608 4.568 3.960 0.000 0.000 0.287 787 G HA3 0.608 4.568 3.960 0.000 0.000 0.287 787 G C -0.527 174.191 174.900 -0.303 0.000 1.350 787 G CA -0.697 44.196 45.100 -0.346 0.000 1.039 787 G HN 0.308 nan 8.290 nan 0.000 0.513 788 F N -0.516 119.358 119.950 -0.126 0.000 2.492 788 F HA 0.407 4.934 4.527 0.000 0.000 0.327 788 F C 0.703 176.496 175.800 -0.012 0.000 1.079 788 F CA -0.679 57.268 58.000 -0.088 0.000 0.967 788 F CB 2.165 41.120 39.000 -0.075 0.000 1.169 788 F HN 0.530 nan 8.300 nan 0.000 0.472 789 Q N 0.588 120.416 119.800 0.047 0.000 2.193 789 Q HA 0.597 4.937 4.340 0.000 0.000 0.246 789 Q C 0.479 176.236 176.000 -0.405 0.000 0.959 789 Q CA -0.575 55.204 55.803 -0.040 0.000 0.904 789 Q CB 1.644 30.318 28.738 -0.107 0.000 1.238 789 Q HN 0.819 nan 8.270 nan 0.000 0.469 790 G N 0.788 109.137 108.800 -0.751 0.000 2.494 790 G HA2 0.049 4.009 3.960 0.000 0.000 0.216 790 G HA3 0.049 4.009 3.960 0.000 0.000 0.216 790 G C 0.129 174.446 174.900 -0.971 0.000 1.140 790 G CA 0.056 44.265 45.100 -1.484 0.000 0.801 790 G HN 0.674 nan 8.290 nan 0.000 0.536 791 R N -2.124 118.088 120.500 -0.481 0.000 2.692 791 R HA 0.434 4.775 4.340 0.000 0.000 0.269 791 R C -1.189 175.047 176.300 -0.106 0.000 1.030 791 R CA -0.940 55.049 56.100 -0.186 0.000 0.882 791 R CB 0.132 30.389 30.300 -0.072 0.000 1.250 791 R HN -0.039 nan 8.270 nan 0.000 0.465 792 C N 2.414 121.702 119.300 -0.020 0.000 2.563 792 C HA 0.043 4.503 4.460 0.000 0.000 0.411 792 C C 0.738 175.732 174.990 0.007 0.000 1.386 792 C CA 1.149 60.154 59.018 -0.021 0.000 1.703 792 C CB -1.297 26.471 27.740 0.047 0.000 2.596 792 C HN 0.991 nan 8.230 nan 0.000 0.605 793 N N 2.349 121.044 118.700 -0.009 0.000 2.782 793 N HA -0.135 4.606 4.740 0.000 0.000 0.251 793 N C -0.360 175.158 175.510 0.014 0.000 1.101 793 N CA 1.337 54.392 53.050 0.009 0.000 0.764 793 N CB -0.634 37.873 38.487 0.034 0.000 1.122 793 N HN 0.791 nan 8.380 nan 0.000 0.561 794 K N -0.187 120.214 120.400 0.000 0.000 2.312 794 K HA 0.562 4.882 4.320 0.000 0.000 0.236 794 K C 0.560 177.173 176.600 0.021 0.000 1.079 794 K CA -0.791 55.509 56.287 0.023 0.000 0.900 794 K CB 1.079 33.601 32.500 0.037 0.000 1.297 794 K HN -0.067 nan 8.250 nan 0.000 0.498 795 L N 0.980 122.237 121.223 0.058 0.000 2.421 795 L HA 0.297 4.637 4.340 0.000 0.000 0.263 795 L C 0.558 177.486 176.870 0.097 0.000 1.122 795 L CA -0.852 54.027 54.840 0.065 0.000 0.804 795 L CB 1.054 43.158 42.059 0.075 0.000 1.150 795 L HN 0.253 nan 8.230 nan 0.000 0.457 796 V N 1.337 121.280 119.914 0.049 0.000 2.999 796 V HA 0.097 4.217 4.120 0.000 0.000 0.307 796 V C -0.484 175.694 176.094 0.140 0.000 1.084 796 V CA 0.547 62.859 62.300 0.020 0.000 1.155 796 V CB 1.285 32.992 31.823 -0.193 0.000 0.975 796 V HN 0.888 nan 8.190 nan 0.000 0.490 797 D N 3.010 123.542 120.400 0.221 0.000 2.931 797 D HA 0.329 4.969 4.640 0.000 0.000 0.215 797 D C 0.715 177.166 176.300 0.251 0.000 1.297 797 D CA 0.190 54.324 54.000 0.223 0.000 0.892 797 D CB 1.664 42.550 40.800 0.142 0.000 1.642 797 D HN 0.595 nan 8.370 nan 0.000 0.560 798 G N 1.817 110.813 108.800 0.327 0.000 2.475 798 G HA2 -0.298 3.662 3.960 0.000 0.000 0.220 798 G HA3 -0.298 3.662 3.960 0.000 0.000 0.220 798 G C 1.771 176.785 174.900 0.191 0.000 1.125 798 G CA 1.414 46.708 45.100 0.323 0.000 0.755 798 G HN 0.759 nan 8.290 nan 0.000 0.565 799 C N -1.370 118.012 119.300 0.137 0.000 2.432 799 C HA 0.111 4.571 4.460 0.000 0.000 0.280 799 C C 2.345 177.299 174.990 -0.061 0.000 1.353 799 C CA 0.271 59.253 59.018 -0.060 0.000 1.766 799 C CB -1.630 25.987 27.740 -0.205 0.000 1.924 799 C HN 0.478 nan 8.230 nan 0.000 0.509 800 Y N 1.966 122.406 120.300 0.233 0.000 2.632 800 Y HA -0.039 4.511 4.550 0.000 0.000 0.301 800 Y C 2.706 178.566 175.900 -0.067 0.000 1.172 800 Y CA 0.512 58.701 58.100 0.149 0.000 1.328 800 Y CB -0.314 38.242 38.460 0.160 0.000 1.016 800 Y HN 0.331 nan 8.280 nan 0.000 0.529 801 S N 0.034 115.799 115.700 0.108 0.000 2.419 801 S HA -0.184 4.286 4.470 0.000 0.000 0.233 801 S C 1.493 175.999 174.600 -0.156 0.000 1.016 801 S CA 1.315 59.528 58.200 0.021 0.000 0.974 801 S CB -0.298 62.983 63.200 0.137 0.000 0.786 801 S HN 0.566 nan 8.310 nan 0.000 0.492 802 F N 0.129 119.914 119.950 -0.275 0.000 2.298 802 F HA 0.217 4.744 4.527 0.000 0.000 0.282 802 F C 1.573 177.105 175.800 -0.447 0.000 1.045 802 F CA -0.017 57.742 58.000 -0.402 0.000 1.280 802 F CB -0.706 38.007 39.000 -0.478 0.000 1.114 802 F HN 0.136 nan 8.300 nan 0.000 0.546 803 W N 1.196 122.270 121.300 -0.377 0.000 2.321 803 W HA -0.237 4.423 4.660 0.000 0.000 0.306 803 W C 2.399 178.706 176.519 -0.352 0.000 1.217 803 W CA 1.235 58.335 57.345 -0.407 0.000 1.257 803 W CB -0.456 29.008 29.460 0.007 0.000 1.145 803 W HN 0.109 nan 8.180 nan 0.000 0.509 804 Q N -0.369 119.311 119.800 -0.200 0.000 2.084 804 Q HA 0.038 4.378 4.340 0.000 0.000 0.194 804 Q C 2.473 177.983 176.000 -0.817 0.000 0.969 804 Q CA 1.392 56.917 55.803 -0.463 0.000 0.829 804 Q CB -1.280 27.090 28.738 -0.613 0.000 0.904 804 Q HN 0.279 nan 8.270 nan 0.000 0.464 805 A N 1.175 123.225 122.820 -1.282 0.000 1.978 805 A HA -0.087 4.233 4.320 0.000 0.000 0.220 805 A C 2.220 179.349 177.584 -0.759 0.000 1.170 805 A CA 1.710 52.952 52.037 -1.326 0.000 0.636 805 A CB -1.013 17.138 19.000 -1.416 0.000 0.810 805 A HN 0.451 nan 8.150 nan 0.000 0.448 806 G N -0.435 107.949 108.800 -0.693 0.000 2.498 806 G HA2 -0.078 3.882 3.960 0.000 0.000 0.219 806 G HA3 -0.078 3.882 3.960 0.000 0.000 0.219 806 G C 1.384 176.113 174.900 -0.284 0.000 1.119 806 G CA 0.841 45.593 45.100 -0.581 0.000 0.766 806 G HN 0.473 nan 8.290 nan 0.000 0.552 807 L N -0.432 120.659 121.223 -0.220 0.000 2.291 807 L HA 0.087 4.427 4.340 0.000 0.000 0.214 807 L C 2.657 179.478 176.870 -0.083 0.000 1.120 807 L CA 0.170 54.956 54.840 -0.090 0.000 0.799 807 L CB -0.192 41.854 42.059 -0.020 0.000 0.925 807 L HN 0.185 nan 8.230 nan 0.000 0.446 808 L N -0.362 120.789 121.223 -0.120 0.000 2.093 808 L HA -0.110 4.230 4.340 0.000 0.000 0.208 808 L C -0.297 176.522 176.870 -0.084 0.000 1.085 808 L CA 1.351 56.206 54.840 0.025 0.000 0.755 808 L CB -1.398 40.818 42.059 0.263 0.000 0.904 808 L HN 0.174 nan 8.230 nan 0.000 0.435 809 P HA -0.118 nan 4.420 nan 0.000 0.219 809 P C 1.861 179.074 177.300 -0.144 0.000 1.150 809 P CA 1.165 63.816 63.100 -0.748 0.000 0.814 809 P CB 0.121 31.167 31.700 -1.089 0.000 0.787 810 L N -1.518 119.639 121.223 -0.110 0.000 2.056 810 L HA -0.144 4.196 4.340 0.000 0.000 0.207 810 L C 2.382 179.277 176.870 0.043 0.000 1.078 810 L CA 1.325 56.149 54.840 -0.028 0.000 0.749 810 L CB -0.951 41.064 42.059 -0.072 0.000 0.901 810 L HN -0.026 nan 8.230 nan 0.000 0.433 811 L N -1.112 120.151 121.223 0.066 0.000 2.056 811 L HA -0.239 4.101 4.340 0.000 0.000 0.207 811 L C 2.630 179.603 176.870 0.171 0.000 1.078 811 L CA 1.130 56.034 54.840 0.107 0.000 0.749 811 L CB -0.618 41.513 42.059 0.121 0.000 0.901 811 L HN 0.291 nan 8.230 nan 0.000 0.433 812 H N 0.120 119.297 119.070 0.178 0.000 2.290 812 H HA -0.243 4.313 4.556 0.000 0.000 0.298 812 H C 2.393 177.859 175.328 0.230 0.000 1.087 812 H CA 2.106 58.319 56.048 0.276 0.000 1.291 812 H CB 0.133 30.189 29.762 0.491 0.000 1.369 812 H HN -0.001 nan 8.280 nan 0.000 0.492 813 R N 0.542 121.225 120.500 0.304 0.000 2.083 813 R HA -0.070 4.271 4.340 0.000 0.000 0.237 813 R C 2.369 178.767 176.300 0.163 0.000 1.137 813 R CA 1.615 57.852 56.100 0.228 0.000 0.951 813 R CB -0.922 29.475 30.300 0.162 0.000 0.851 813 R HN 0.420 nan 8.270 nan 0.000 0.434 814 A N 0.390 123.276 122.820 0.111 0.000 1.877 814 A HA -0.098 4.222 4.320 0.000 0.000 0.216 814 A C 2.268 179.887 177.584 0.059 0.000 1.186 814 A CA 1.601 53.681 52.037 0.071 0.000 0.620 814 A CB -0.637 18.392 19.000 0.048 0.000 0.822 814 A HN 0.362 nan 8.150 nan 0.000 0.443 815 L N -1.734 119.522 121.223 0.055 0.000 2.093 815 L HA -0.159 4.181 4.340 0.000 0.000 0.208 815 L C 2.626 179.510 176.870 0.024 0.000 1.085 815 L CA 1.629 56.485 54.840 0.028 0.000 0.755 815 L CB -0.681 41.388 42.059 0.016 0.000 0.904 815 L HN 0.625 nan 8.230 nan 0.000 0.435 816 H N 0.424 119.453 119.070 -0.068 0.000 2.387 816 H HA -0.114 4.442 4.556 0.000 0.000 0.299 816 H C 2.108 177.438 175.328 0.003 0.000 1.090 816 H CA 1.368 57.387 56.048 -0.048 0.000 1.332 816 H CB 0.154 29.900 29.762 -0.027 0.000 1.386 816 H HN 0.269 nan 8.280 nan 0.000 0.516 817 A N 0.154 122.973 122.820 -0.001 0.000 2.015 817 A HA -0.140 4.180 4.320 0.000 0.000 0.219 817 A C 1.992 179.536 177.584 -0.066 0.000 1.163 817 A CA 1.487 53.499 52.037 -0.042 0.000 0.646 817 A CB -0.245 18.774 19.000 0.032 0.000 0.806 817 A HN 0.691 nan 8.150 nan 0.000 0.448 818 Q N -1.388 118.383 119.800 -0.049 0.000 2.360 818 Q HA 0.299 4.639 4.340 0.000 0.000 0.202 818 Q C 0.890 176.856 176.000 -0.056 0.000 0.915 818 Q CA 0.262 56.043 55.803 -0.038 0.000 0.943 818 Q CB 0.214 28.944 28.738 -0.013 0.000 1.064 818 Q HN 0.810 nan 8.270 nan 0.000 0.511 819 G N 2.239 110.975 108.800 -0.106 0.000 2.160 819 G HA2 -0.232 3.728 3.960 0.000 0.000 0.244 819 G HA3 -0.232 3.728 3.960 0.000 0.000 0.244 819 G C -0.410 174.462 174.900 -0.048 0.000 1.022 819 G CA 0.093 45.133 45.100 -0.101 0.000 0.741 819 G HN 0.383 nan 8.290 nan 0.000 0.508 820 D N 0.872 121.255 120.400 -0.030 0.000 2.389 820 D HA 0.187 4.827 4.640 0.000 0.000 0.263 820 D C 0.157 176.468 176.300 0.018 0.000 1.255 820 D CA -0.803 53.197 54.000 0.000 0.000 0.914 820 D CB 1.068 41.872 40.800 0.007 0.000 1.116 820 D HN 0.281 nan 8.370 nan 0.000 0.502 821 P HA 0.010 nan 4.420 nan 0.000 0.237 821 P C 0.574 177.894 177.300 0.033 0.000 1.178 821 P CA 0.224 63.340 63.100 0.027 0.000 0.766 821 P CB 0.406 32.116 31.700 0.017 0.000 0.876 822 A N -0.393 122.446 122.820 0.032 0.000 2.267 822 A HA 0.199 4.519 4.320 0.000 0.000 0.213 822 A C 1.179 178.791 177.584 0.046 0.000 1.192 822 A CA -0.228 51.828 52.037 0.033 0.000 0.851 822 A CB -0.626 18.391 19.000 0.029 0.000 0.881 822 A HN 0.121 nan 8.150 nan 0.000 0.494 823 L N 1.076 122.333 121.223 0.056 0.000 2.514 823 L HA 0.049 4.389 4.340 0.000 0.000 0.280 823 L C 1.120 178.066 176.870 0.127 0.000 1.223 823 L CA -0.167 54.722 54.840 0.082 0.000 0.864 823 L CB 0.731 42.789 42.059 -0.001 0.000 1.118 823 L HN 0.322 nan 8.230 nan 0.000 0.494 824 S N 2.920 118.719 115.700 0.165 0.000 2.585 824 S HA 0.225 4.696 4.470 0.000 0.000 0.273 824 S C 0.621 175.256 174.600 0.058 0.000 1.339 824 S CA -0.350 57.875 58.200 0.040 0.000 1.028 824 S CB 0.611 63.769 63.200 -0.071 0.000 0.906 824 S HN 0.623 nan 8.310 nan 0.000 0.528 825 M N 3.104 122.631 119.600 -0.121 0.000 2.484 825 M HA 0.146 4.626 4.480 0.000 0.000 0.307 825 M C 0.760 176.783 176.300 -0.462 0.000 1.149 825 M CA -0.146 55.111 55.300 -0.072 0.000 0.972 825 M CB 0.377 32.981 32.600 0.006 0.000 1.400 825 M HN 0.815 nan 8.290 nan 0.000 0.508 826 S N -2.448 112.594 115.700 -1.096 0.000 2.560 826 S HA 0.218 4.688 4.470 0.000 0.000 0.281 826 S C 0.083 173.533 174.600 -1.916 0.000 1.075 826 S CA -0.406 56.961 58.200 -1.388 0.000 1.295 826 S CB 0.453 63.061 63.200 -0.986 0.000 1.156 826 S HN 0.441 nan 8.310 nan 0.000 0.627 827 H N -0.909 117.251 119.070 -1.516 0.000 2.895 827 H HA 0.600 5.156 4.556 0.000 0.000 0.373 827 H C -1.362 173.601 175.328 -0.608 0.000 1.174 827 H CA -0.771 54.706 56.048 -0.953 0.000 1.144 827 H CB 0.738 30.192 29.762 -0.513 0.000 1.793 827 H HN 0.305 nan 8.280 nan 0.000 0.551 828 W N 1.691 122.979 121.300 -0.021 0.000 2.183 828 W HA 0.253 4.913 4.660 0.000 0.000 0.348 828 W C 0.507 177.039 176.519 0.020 0.000 1.257 828 W CA -0.706 56.699 57.345 0.100 0.000 1.324 828 W CB 0.600 30.120 29.460 0.100 0.000 1.144 828 W HN 0.345 nan 8.180 nan 0.000 0.622 829 M N 3.573 123.455 119.600 0.471 0.000 3.607 829 M HA 0.172 4.652 4.480 0.000 0.000 0.206 829 M C -1.138 175.391 176.300 0.381 0.000 1.314 829 M CA 0.207 55.694 55.300 0.311 0.000 1.526 829 M CB -1.020 31.755 32.600 0.291 0.000 1.101 829 M HN 0.309 nan 8.290 nan 0.000 0.539 830 F N -3.599 116.491 119.950 0.233 0.000 2.711 830 F HA 0.426 4.953 4.527 0.000 0.000 0.313 830 F C -0.631 175.265 175.800 0.161 0.000 1.141 830 F CA -1.346 56.792 58.000 0.230 0.000 0.941 830 F CB 0.854 40.095 39.000 0.402 0.000 1.349 830 F HN -0.052 nan 8.300 nan 0.000 0.464 831 H N 2.745 121.929 119.070 0.191 0.000 3.205 831 H HA 0.195 4.752 4.556 0.000 0.000 0.262 831 H C 0.643 175.967 175.328 -0.007 0.000 1.333 831 H CA 0.781 56.792 56.048 -0.062 0.000 1.499 831 H CB 0.980 30.646 29.762 -0.160 0.000 1.609 831 H HN 0.860 nan 8.280 nan 0.000 0.498 832 Q N 2.497 122.150 119.800 -0.244 0.000 2.096 832 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 832 Q C 2.094 178.178 176.000 0.140 0.000 0.982 832 Q CA 1.594 57.340 55.803 -0.096 0.000 0.850 832 Q CB 0.205 28.823 28.738 -0.199 0.000 0.901 832 Q HN 0.703 nan 8.270 nan 0.000 0.422 833 Q N -0.106 119.758 119.800 0.106 0.000 2.046 833 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 833 Q C 2.058 178.142 176.000 0.140 0.000 0.975 833 Q CA 1.279 57.155 55.803 0.121 0.000 0.836 833 Q CB -0.150 28.639 28.738 0.086 0.000 0.896 833 Q HN 0.396 nan 8.270 nan 0.000 0.428 834 A N 0.768 123.681 122.820 0.156 0.000 1.940 834 A HA -0.202 4.118 4.320 0.000 0.000 0.219 834 A C 1.971 179.635 177.584 0.132 0.000 1.176 834 A CA 1.422 53.425 52.037 -0.055 0.000 0.631 834 A CB -0.755 17.994 19.000 -0.419 0.000 0.814 834 A HN 0.487 nan 8.150 nan 0.000 0.446 835 L N -0.177 121.206 121.223 0.267 0.000 2.056 835 L HA -0.173 4.167 4.340 0.000 0.000 0.207 835 L C 2.439 179.480 176.870 0.286 0.000 1.078 835 L CA 2.241 57.291 54.840 0.349 0.000 0.749 835 L CB -0.755 41.627 42.059 0.539 0.000 0.901 835 L HN 0.508 nan 8.230 nan 0.000 0.433 836 Q N -0.652 119.279 119.800 0.218 0.000 2.124 836 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 836 Q C 2.069 178.113 176.000 0.074 0.000 0.977 836 Q CA 1.871 57.753 55.803 0.131 0.000 0.850 836 Q CB -0.137 28.654 28.738 0.089 0.000 0.901 836 Q HN 0.647 nan 8.270 nan 0.000 0.429 837 E N -0.184 120.052 120.200 0.060 0.000 2.072 837 E HA -0.206 4.145 4.350 0.000 0.000 0.191 837 E C 1.691 178.330 176.600 0.066 0.000 0.985 837 E CA 0.953 57.343 56.400 -0.017 0.000 0.801 837 E CB -0.127 29.508 29.700 -0.110 0.000 0.750 837 E HN 0.331 nan 8.360 nan 0.000 0.452 838 Y N 1.439 121.785 120.300 0.077 0.000 2.145 838 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 838 Y C 1.904 177.850 175.900 0.077 0.000 1.145 838 Y CA 1.416 59.596 58.100 0.133 0.000 1.148 838 Y CB -0.207 38.334 38.460 0.134 0.000 0.981 838 Y HN -0.060 nan 8.280 nan 0.000 0.507 839 I N -0.358 120.196 120.570 -0.027 0.000 2.142 839 I HA -0.348 3.822 4.170 0.000 0.000 0.240 839 I C 2.379 178.413 176.117 -0.138 0.000 1.078 839 I CA 1.591 62.824 61.300 -0.112 0.000 1.343 839 I CB -0.581 37.442 38.000 0.040 0.000 1.046 839 I HN 0.226 nan 8.210 nan 0.000 0.405 840 L N -0.389 120.786 121.223 -0.081 0.000 2.046 840 L HA -0.211 4.130 4.340 0.000 0.000 0.208 840 L C 2.563 179.339 176.870 -0.157 0.000 1.077 840 L CA 1.483 56.273 54.840 -0.083 0.000 0.747 840 L CB -0.353 41.665 42.059 -0.068 0.000 0.896 840 L HN 0.304 nan 8.230 nan 0.000 0.432 841 M N -1.984 117.461 119.600 -0.257 0.000 2.394 841 M HA -0.076 4.404 4.480 0.000 0.000 0.266 841 M C 1.840 178.052 176.300 -0.146 0.000 1.098 841 M CA 0.886 55.948 55.300 -0.397 0.000 1.149 841 M CB 0.108 32.395 32.600 -0.522 0.000 1.369 841 M HN 0.359 nan 8.290 nan 0.000 0.450 842 C N -1.758 117.393 119.300 -0.248 0.000 3.188 842 C HA 0.165 4.625 4.460 0.000 0.000 0.315 842 C C 1.840 176.632 174.990 -0.329 0.000 1.285 842 C CA -0.512 58.323 59.018 -0.306 0.000 1.729 842 C CB -0.431 27.008 27.740 -0.502 0.000 2.257 842 C HN 0.558 nan 8.230 nan 0.000 0.645 843 C N 1.064 120.163 119.300 -0.335 0.000 2.884 843 C HA 0.215 4.675 4.460 0.000 0.000 0.287 843 C C 0.582 175.503 174.990 -0.115 0.000 1.310 843 C CA -0.157 58.721 59.018 -0.233 0.000 1.725 843 C CB -1.739 25.855 27.740 -0.244 0.000 2.060 843 C HN 0.602 nan 8.230 nan 0.000 0.618 844 Q N 0.355 120.123 119.800 -0.055 0.000 2.290 844 Q HA 0.323 4.663 4.340 0.000 0.000 0.259 844 Q C -0.475 175.540 176.000 0.026 0.000 0.941 844 Q CA -0.092 55.735 55.803 0.041 0.000 0.912 844 Q CB 1.795 30.606 28.738 0.122 0.000 1.244 844 Q HN 0.456 nan 8.270 nan 0.000 0.441 845 C N 4.895 124.207 119.300 0.020 0.000 2.499 845 C HA 0.271 4.731 4.460 0.000 0.000 0.386 845 C C -1.220 173.754 174.990 -0.026 0.000 1.293 845 C CA -1.771 57.222 59.018 -0.042 0.000 1.884 845 C CB 0.009 27.671 27.740 -0.129 0.000 2.509 845 C HN 0.740 nan 8.230 nan 0.000 0.566 846 P HA -0.102 nan 4.420 nan 0.000 0.217 846 P C 1.084 178.353 177.300 -0.052 0.000 1.148 846 P CA 2.014 65.096 63.100 -0.031 0.000 0.828 846 P CB 0.094 31.780 31.700 -0.023 0.000 0.783 847 A N -1.310 121.470 122.820 -0.068 0.000 2.238 847 A HA 0.479 4.799 4.320 0.000 0.000 0.208 847 A C 0.982 178.512 177.584 -0.089 0.000 1.177 847 A CA 0.698 52.692 52.037 -0.071 0.000 0.804 847 A CB -0.936 18.019 19.000 -0.075 0.000 0.823 847 A HN 0.311 nan 8.150 nan 0.000 0.482 848 G N -2.519 106.218 108.800 -0.105 0.000 2.770 848 G HA2 0.544 4.504 3.960 0.000 0.000 0.686 848 G HA3 0.544 4.504 3.960 0.000 0.000 0.686 848 G C 0.353 175.136 174.900 -0.195 0.000 1.180 848 G CA -0.246 44.827 45.100 -0.046 0.000 0.767 848 G HN 2.423 nan 8.290 nan 0.000 0.646 849 G N -0.905 108.026 108.800 0.218 0.000 2.662 849 G HA2 0.397 4.357 3.960 0.000 0.000 0.686 849 G HA3 0.397 4.357 3.960 0.000 0.000 0.686 849 G C -0.681 174.145 174.900 -0.123 0.000 1.271 849 G CA 0.065 45.063 45.100 -0.169 0.000 0.816 849 G HN 1.668 nan 8.290 nan 0.000 0.608 850 L N -0.081 121.052 121.223 -0.150 0.000 2.256 850 L HA 0.995 5.335 4.340 0.000 0.000 0.261 850 L C 0.350 177.174 176.870 -0.076 0.000 1.022 850 L CA -0.914 53.849 54.840 -0.129 0.000 0.828 850 L CB 1.827 43.781 42.059 -0.176 0.000 1.374 850 L HN 1.142 nan 8.230 nan 0.000 0.436 851 L N -3.421 117.749 121.223 -0.088 0.000 2.669 851 L HA 0.664 5.004 4.340 0.000 0.000 0.255 851 L C 0.313 177.031 176.870 -0.253 0.000 1.123 851 L CA -0.652 54.088 54.840 -0.167 0.000 0.941 851 L CB 0.213 42.159 42.059 -0.189 0.000 1.552 851 L HN 0.430 nan 8.230 nan 0.000 0.394 852 D N 0.143 120.188 120.400 -0.591 0.000 2.081 852 D HA -0.081 4.560 4.640 0.000 0.000 0.194 852 D C 0.042 176.312 176.300 -0.051 0.000 0.986 852 D CA 2.442 56.201 54.000 -0.402 0.000 0.837 852 D CB 0.337 40.844 40.800 -0.489 0.000 0.985 852 D HN 0.724 nan 8.370 nan 0.000 0.448 853 K N -1.902 118.459 120.400 -0.065 0.000 2.578 853 K HA 0.528 4.848 4.320 0.000 0.000 0.287 853 K C -3.015 173.563 176.600 -0.036 0.000 1.010 853 K CA -1.713 54.591 56.287 0.028 0.000 0.889 853 K CB 1.352 33.923 32.500 0.118 0.000 1.514 853 K HN -0.289 nan 8.250 nan 0.000 0.424 854 P HA 0.021 nan 4.420 nan 0.000 0.262 854 P C 0.466 177.750 177.300 -0.028 0.000 1.182 854 P CA 1.706 64.784 63.100 -0.037 0.000 0.761 854 P CB 0.540 32.223 31.700 -0.028 0.000 0.795 855 G N 1.629 110.408 108.800 -0.036 0.000 2.232 855 G HA2 -0.172 3.788 3.960 0.000 0.000 0.226 855 G HA3 -0.172 3.788 3.960 0.000 0.000 0.226 855 G C 0.169 175.044 174.900 -0.041 0.000 0.996 855 G CA -0.333 44.748 45.100 -0.031 0.000 0.626 855 G HN 0.464 nan 8.290 nan 0.000 0.509 856 K N 1.369 121.733 120.400 -0.059 0.000 2.090 856 K HA 0.651 4.971 4.320 0.000 0.000 0.249 856 K C 0.748 177.297 176.600 -0.085 0.000 0.995 856 K CA 0.250 56.490 56.287 -0.077 0.000 0.914 856 K CB 1.399 33.827 32.500 -0.121 0.000 1.057 856 K HN 0.609 nan 8.250 nan 0.000 0.462 857 S N 0.420 116.073 115.700 -0.078 0.000 2.616 857 S HA 0.390 4.861 4.470 0.000 0.000 0.277 857 S C 0.198 174.745 174.600 -0.089 0.000 1.234 857 S CA -0.964 57.191 58.200 -0.075 0.000 1.028 857 S CB 1.120 64.290 63.200 -0.050 0.000 0.988 857 S HN 0.565 nan 8.310 nan 0.000 0.522 858 R N 0.463 120.893 120.500 -0.116 0.000 2.738 858 R HA 0.513 4.853 4.340 0.000 0.000 0.268 858 R C -1.052 175.217 176.300 -0.051 0.000 1.062 858 R CA -0.324 55.691 56.100 -0.142 0.000 1.158 858 R CB -0.313 29.787 30.300 -0.335 0.000 1.046 858 R HN 0.847 nan 8.270 nan 0.000 0.493 859 D N 0.021 120.429 120.400 0.014 0.000 2.648 859 D HA 0.121 4.761 4.640 0.000 0.000 0.244 859 D C -0.367 175.955 176.300 0.036 0.000 1.244 859 D CA -0.835 53.206 54.000 0.069 0.000 0.772 859 D CB 0.170 41.065 40.800 0.159 0.000 1.379 859 D HN 0.388 nan 8.370 nan 0.000 0.428 860 F N -0.584 119.552 119.950 0.311 0.000 2.234 860 F HA -0.054 4.473 4.527 0.000 0.000 0.299 860 F C 1.987 177.680 175.800 -0.179 0.000 1.087 860 F CA 0.677 58.773 58.000 0.160 0.000 1.340 860 F CB -0.385 38.778 39.000 0.271 0.000 1.031 860 F HN 0.494 nan 8.300 nan 0.000 0.500 861 Y N 0.544 120.523 120.300 -0.536 0.000 2.114 861 Y HA -0.293 4.257 4.550 0.000 0.000 0.284 861 Y C 2.455 178.013 175.900 -0.570 0.000 1.143 861 Y CA 2.074 59.439 58.100 -1.224 0.000 1.135 861 Y CB -0.898 36.846 38.460 -1.194 0.000 0.980 861 Y HN 0.048 nan 8.280 nan 0.000 0.499 862 H N -1.106 117.869 119.070 -0.157 0.000 2.423 862 H HA -0.087 4.469 4.556 0.000 0.000 0.297 862 H C 2.160 177.363 175.328 -0.209 0.000 1.075 862 H CA 1.847 57.793 56.048 -0.171 0.000 1.342 862 H CB -0.221 29.532 29.762 -0.016 0.000 1.395 862 H HN 0.319 nan 8.280 nan 0.000 0.530 863 T N -0.533 113.980 114.554 -0.068 0.000 2.746 863 T HA -0.235 4.115 4.350 0.000 0.000 0.267 863 T C 2.348 176.921 174.700 -0.212 0.000 1.039 863 T CA 1.298 63.343 62.100 -0.090 0.000 1.142 863 T CB -0.658 68.254 68.868 0.072 0.000 0.866 863 T HN 0.569 nan 8.240 nan 0.000 0.444 864 C N 0.622 119.722 119.300 -0.334 0.000 2.436 864 C HA -0.088 4.372 4.460 0.000 0.000 0.277 864 C C 2.351 176.930 174.990 -0.685 0.000 1.241 864 C CA 0.497 59.198 59.018 -0.528 0.000 1.721 864 C CB -1.456 25.874 27.740 -0.683 0.000 2.043 864 C HN 0.652 nan 8.230 nan 0.000 0.472 865 Y N -0.181 119.829 120.300 -0.484 0.000 2.395 865 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 865 Y C 2.888 178.628 175.900 -0.267 0.000 1.123 865 Y CA 1.329 59.132 58.100 -0.496 0.000 1.227 865 Y CB -0.565 37.437 38.460 -0.763 0.000 1.012 865 Y HN 0.398 nan 8.280 nan 0.000 0.552 866 C N -0.095 119.142 119.300 -0.105 0.000 2.446 866 C HA -0.140 4.321 4.460 0.000 0.000 0.277 866 C C 2.665 177.620 174.990 -0.058 0.000 1.275 866 C CA 0.917 59.913 59.018 -0.037 0.000 1.727 866 C CB -1.174 26.538 27.740 -0.048 0.000 2.010 866 C HN 0.521 nan 8.230 nan 0.000 0.486 867 L N 0.294 121.435 121.223 -0.137 0.000 2.056 867 L HA -0.116 4.225 4.340 0.000 0.000 0.207 867 L C 2.653 179.467 176.870 -0.095 0.000 1.078 867 L CA 1.315 56.076 54.840 -0.131 0.000 0.749 867 L CB -0.690 41.249 42.059 -0.200 0.000 0.901 867 L HN 0.287 nan 8.230 nan 0.000 0.433 868 S N 0.165 115.781 115.700 -0.141 0.000 2.368 868 S HA -0.145 4.325 4.470 0.000 0.000 0.225 868 S C 2.021 176.707 174.600 0.144 0.000 1.030 868 S CA 1.361 59.537 58.200 -0.040 0.000 0.999 868 S CB -0.621 62.443 63.200 -0.228 0.000 0.844 868 S HN 0.612 nan 8.310 nan 0.000 0.459 869 G N 1.443 110.323 108.800 0.134 0.000 2.408 869 G HA2 -0.132 3.828 3.960 0.000 0.000 0.217 869 G HA3 -0.132 3.828 3.960 0.000 0.000 0.217 869 G C 1.378 176.369 174.900 0.152 0.000 1.150 869 G CA 0.714 45.898 45.100 0.140 0.000 0.776 869 G HN 0.409 nan 8.290 nan 0.000 0.542 870 L N 1.151 122.443 121.223 0.115 0.000 2.046 870 L HA -0.000 4.340 4.340 0.000 0.000 0.208 870 L C 2.866 179.816 176.870 0.134 0.000 1.077 870 L CA 2.447 57.356 54.840 0.116 0.000 0.747 870 L CB -0.800 41.294 42.059 0.058 0.000 0.896 870 L HN 0.229 nan 8.230 nan 0.000 0.432 871 S N -0.751 115.037 115.700 0.146 0.000 2.368 871 S HA -0.162 4.308 4.470 0.000 0.000 0.225 871 S C 2.069 176.866 174.600 0.328 0.000 1.030 871 S CA 1.609 59.949 58.200 0.232 0.000 0.999 871 S CB -0.431 62.901 63.200 0.219 0.000 0.844 871 S HN 0.497 nan 8.310 nan 0.000 0.459 872 I N 1.507 122.258 120.570 0.303 0.000 2.226 872 I HA -0.157 4.013 4.170 0.000 0.000 0.245 872 I C 2.742 179.166 176.117 0.512 0.000 1.100 872 I CA 1.158 62.669 61.300 0.353 0.000 1.374 872 I CB -0.463 37.645 38.000 0.180 0.000 1.057 872 I HN 0.392 nan 8.210 nan 0.000 0.413 873 A N -0.041 123.052 122.820 0.455 0.000 2.015 873 A HA -0.209 4.112 4.320 0.000 0.000 0.219 873 A C 2.192 179.910 177.584 0.224 0.000 1.163 873 A CA 1.325 53.654 52.037 0.488 0.000 0.646 873 A CB -0.397 18.872 19.000 0.449 0.000 0.806 873 A HN 0.505 nan 8.150 nan 0.000 0.448 874 Q N -1.155 118.685 119.800 0.067 0.000 2.269 874 Q HA 0.012 4.353 4.340 0.000 0.000 0.201 874 Q C -0.349 175.435 176.000 -0.361 0.000 0.946 874 Q CA 0.638 56.297 55.803 -0.241 0.000 0.877 874 Q CB 0.111 28.544 28.738 -0.508 0.000 0.963 874 Q HN 0.870 nan 8.270 nan 0.000 0.472 875 H N -0.839 118.350 119.070 0.199 0.000 2.589 875 H HA 0.326 4.882 4.556 0.000 0.000 0.335 875 H C -1.588 173.875 175.328 0.226 0.000 1.019 875 H CA -0.740 55.402 56.048 0.156 0.000 1.213 875 H CB 1.041 30.887 29.762 0.140 0.000 1.472 875 H HN 0.016 nan 8.280 nan 0.000 0.508 876 F N 2.451 122.313 119.950 -0.146 0.000 2.443 876 F HA 0.713 5.240 4.527 0.000 0.000 0.335 876 F C -0.097 175.481 175.800 -0.371 0.000 1.104 876 F CA -0.415 57.158 58.000 -0.710 0.000 1.013 876 F CB 1.551 39.940 39.000 -1.018 0.000 1.136 876 F HN 0.617 nan 8.300 nan 0.000 0.470 877 G N 2.747 110.710 108.800 -1.395 0.000 2.684 877 G HA2 0.476 4.436 3.960 0.000 0.000 0.289 877 G HA3 0.476 4.436 3.960 0.000 0.000 0.289 877 G C -2.023 172.340 174.900 -0.894 0.000 1.416 877 G CA -0.704 43.905 45.100 -0.818 0.000 1.235 877 G HN 0.787 nan 8.290 nan 0.000 0.576 878 S N 1.483 116.782 115.700 -0.669 0.000 2.689 878 S HA 0.692 5.162 4.470 0.000 0.000 0.274 878 S C 0.846 175.337 174.600 -0.182 0.000 1.176 878 S CA 1.056 59.031 58.200 -0.374 0.000 1.014 878 S CB 0.520 63.557 63.200 -0.272 0.000 1.071 878 S HN 2.614 nan 8.310 nan 0.000 0.478 879 G N 4.116 112.841 108.800 -0.125 0.000 2.561 879 G HA2 -0.183 3.777 3.960 0.000 0.000 0.289 879 G HA3 -0.183 3.777 3.960 0.000 0.000 0.289 879 G C 0.911 175.803 174.900 -0.013 0.000 1.169 879 G CA 0.288 45.374 45.100 -0.025 0.000 0.980 879 G HN 1.868 nan 8.290 nan 0.000 0.550 880 A N -0.646 122.181 122.820 0.011 0.000 2.308 880 A HA 0.603 4.923 4.320 0.000 0.000 0.217 880 A C 1.187 178.777 177.584 0.010 0.000 1.216 880 A CA 0.986 53.031 52.037 0.012 0.000 0.864 880 A CB -0.072 18.944 19.000 0.026 0.000 0.902 880 A HN 0.518 nan 8.150 nan 0.000 0.499 881 M N 0.867 120.475 119.600 0.013 0.000 2.162 881 M HA 0.455 4.935 4.480 0.000 0.000 0.356 881 M C -0.924 175.394 176.300 0.030 0.000 1.303 881 M CA 0.105 55.436 55.300 0.050 0.000 1.116 881 M CB 0.190 32.865 32.600 0.124 0.000 1.632 881 M HN 0.117 nan 8.290 nan 0.000 0.469 882 L N 3.351 124.613 121.223 0.064 0.000 2.438 882 L HA 0.428 4.768 4.340 0.000 0.000 0.270 882 L C -1.032 175.919 176.870 0.135 0.000 0.972 882 L CA -0.559 54.316 54.840 0.059 0.000 0.831 882 L CB 2.042 44.109 42.059 0.013 0.000 1.273 882 L HN 0.688 nan 8.230 nan 0.000 0.405 883 H N 1.758 120.852 119.070 0.040 0.000 3.108 883 H HA 0.418 4.974 4.556 0.000 0.000 0.329 883 H C -1.539 173.733 175.328 -0.093 0.000 0.978 883 H CA -0.479 55.520 56.048 -0.080 0.000 1.413 883 H CB 1.290 30.896 29.762 -0.260 0.000 1.670 883 H HN 0.428 nan 8.280 nan 0.000 0.512 884 D N 3.505 123.625 120.400 -0.468 0.000 2.175 884 D HA 0.358 4.998 4.640 0.000 0.000 0.248 884 D C -0.456 175.554 176.300 -0.484 0.000 1.047 884 D CA -0.386 53.410 54.000 -0.341 0.000 0.883 884 D CB 2.296 43.017 40.800 -0.133 0.000 1.180 884 D HN 0.261 nan 8.370 nan 0.000 0.438 885 V N 2.410 122.133 119.914 -0.318 0.000 2.465 885 V HA 0.130 4.250 4.120 0.000 0.000 0.263 885 V C -0.322 175.678 176.094 -0.156 0.000 0.981 885 V CA -0.682 61.487 62.300 -0.218 0.000 0.838 885 V CB 1.435 33.176 31.823 -0.136 0.000 1.068 885 V HN 0.275 nan 8.190 nan 0.000 0.458 886 V N 5.440 125.269 119.914 -0.141 0.000 2.320 886 V HA 0.328 4.448 4.120 0.000 0.000 0.265 886 V C 0.148 176.206 176.094 -0.059 0.000 1.048 886 V CA -0.378 61.860 62.300 -0.103 0.000 0.865 886 V CB 1.304 33.075 31.823 -0.087 0.000 1.043 886 V HN 0.612 nan 8.190 nan 0.000 0.474 887 L N 5.877 127.075 121.223 -0.040 0.000 2.426 887 L HA 0.775 5.115 4.340 0.000 0.000 0.271 887 L C 0.839 177.700 176.870 -0.014 0.000 1.169 887 L CA 1.929 56.755 54.840 -0.024 0.000 0.836 887 L CB 0.497 42.548 42.059 -0.014 0.000 1.112 887 L HN 0.935 nan 8.230 nan 0.000 0.465 888 G N 2.742 111.537 108.800 -0.008 0.000 2.527 888 G HA2 -0.111 3.850 3.960 0.000 0.000 0.227 888 G HA3 -0.111 3.850 3.960 0.000 0.000 0.227 888 G C -0.347 174.560 174.900 0.011 0.000 1.291 888 G CA -0.325 44.780 45.100 0.008 0.000 0.904 888 G HN 1.618 nan 8.290 nan 0.000 0.577 889 V N -0.801 119.127 119.914 0.024 0.000 2.740 889 V HA 0.472 4.593 4.120 0.000 0.000 0.303 889 V C 0.015 176.116 176.094 0.012 0.000 1.054 889 V CA 0.031 62.344 62.300 0.023 0.000 1.106 889 V CB 0.928 32.770 31.823 0.031 0.000 0.957 889 V HN 0.799 nan 8.190 nan 0.000 0.486 890 P HA -0.167 nan 4.420 nan 0.000 0.218 890 P C 1.031 178.335 177.300 0.008 0.000 1.146 890 P CA 1.451 64.553 63.100 0.002 0.000 0.813 890 P CB 0.290 31.991 31.700 0.001 0.000 0.778 891 E N -0.330 119.877 120.200 0.011 0.000 2.401 891 E HA -0.109 4.242 4.350 0.000 0.000 0.199 891 E C 1.651 178.262 176.600 0.019 0.000 1.023 891 E CA 0.497 56.905 56.400 0.012 0.000 0.859 891 E CB -1.002 28.704 29.700 0.011 0.000 0.780 891 E HN 0.277 nan 8.360 nan 0.000 0.523 892 N N 0.757 119.469 118.700 0.019 0.000 2.453 892 N HA -0.038 4.702 4.740 0.000 0.000 0.183 892 N C 0.071 175.596 175.510 0.025 0.000 1.041 892 N CA 0.779 53.844 53.050 0.024 0.000 0.900 892 N CB -0.284 38.213 38.487 0.017 0.000 0.961 892 N HN 0.128 nan 8.380 nan 0.000 0.443 893 A N 1.163 123.997 122.820 0.025 0.000 2.561 893 A HA 0.159 4.479 4.320 0.000 0.000 0.251 893 A C 0.354 177.995 177.584 0.095 0.000 1.062 893 A CA 0.213 52.283 52.037 0.055 0.000 0.761 893 A CB -0.302 18.742 19.000 0.074 0.000 0.986 893 A HN 0.233 nan 8.150 nan 0.000 0.510 894 L N 2.047 123.363 121.223 0.155 0.000 2.365 894 L HA 0.325 4.665 4.340 0.000 0.000 0.267 894 L C 0.502 177.479 176.870 0.179 0.000 1.033 894 L CA -1.061 53.861 54.840 0.137 0.000 0.802 894 L CB 0.732 42.854 42.059 0.106 0.000 1.267 894 L HN 0.637 nan 8.230 nan 0.000 0.457 895 Q N 1.954 121.788 119.800 0.057 0.000 2.373 895 Q HA 0.245 4.585 4.340 0.000 0.000 0.255 895 Q C -2.191 173.803 176.000 -0.011 0.000 0.980 895 Q CA -1.587 54.212 55.803 -0.006 0.000 0.882 895 Q CB 0.585 29.314 28.738 -0.015 0.000 1.249 895 Q HN 0.268 nan 8.270 nan 0.000 0.438 896 P HA 0.044 nan 4.420 nan 0.000 0.272 896 P C -0.419 176.937 177.300 0.093 0.000 1.240 896 P CA -0.098 62.961 63.100 -0.068 0.000 0.791 896 P CB 0.819 32.414 31.700 -0.175 0.000 0.978 897 T N -0.285 114.376 114.554 0.177 0.000 2.900 897 T HA 0.193 4.543 4.350 0.000 0.000 0.295 897 T C -0.831 174.039 174.700 0.284 0.000 1.044 897 T CA -0.508 61.753 62.100 0.268 0.000 0.995 897 T CB 0.437 69.501 68.868 0.326 0.000 1.072 897 T HN 0.383 nan 8.240 nan 0.000 0.473 898 H N 5.717 124.939 119.070 0.253 0.000 2.767 898 H HA 0.244 4.801 4.556 0.000 0.000 0.316 898 H C -1.594 173.932 175.328 0.330 0.000 1.059 898 H CA -1.717 54.496 56.048 0.274 0.000 1.461 898 H CB 1.913 31.873 29.762 0.330 0.000 1.475 898 H HN 0.428 nan 8.280 nan 0.000 0.531 899 P HA -0.137 nan 4.420 nan 0.000 0.220 899 P C 1.350 178.968 177.300 0.530 0.000 1.148 899 P CA 0.597 63.885 63.100 0.314 0.000 0.803 899 P CB 0.651 32.364 31.700 0.021 0.000 0.782 900 V N -1.232 119.033 119.914 0.586 0.000 2.331 900 V HA -0.151 3.969 4.120 0.000 0.000 0.242 900 V C 2.390 178.702 176.094 0.363 0.000 1.034 900 V CA 1.666 64.139 62.300 0.289 0.000 1.027 900 V CB -1.352 30.403 31.823 -0.113 0.000 0.667 900 V HN -0.030 nan 8.190 nan 0.000 0.457 901 Y N -0.588 120.034 120.300 0.537 0.000 2.503 901 Y HA 0.234 4.784 4.550 0.000 0.000 0.278 901 Y C 1.416 177.535 175.900 0.366 0.000 1.111 901 Y CA 0.337 58.674 58.100 0.396 0.000 1.270 901 Y CB -0.088 38.404 38.460 0.053 0.000 1.063 901 Y HN 0.380 nan 8.280 nan 0.000 0.548 902 N N 0.825 119.819 118.700 0.491 0.000 2.756 902 N HA -0.191 4.549 4.740 0.000 0.000 0.248 902 N C -0.966 174.422 175.510 -0.203 0.000 1.062 902 N CA 0.909 54.050 53.050 0.151 0.000 0.696 902 N CB -1.479 36.904 38.487 -0.173 0.000 0.946 902 N HN 0.635 nan 8.380 nan 0.000 0.548 903 I N -4.131 116.473 120.570 0.055 0.000 3.095 903 I HA 0.742 4.912 4.170 0.000 0.000 0.310 903 I C 0.984 177.238 176.117 0.228 0.000 1.196 903 I CA -0.991 60.330 61.300 0.036 0.000 0.985 903 I CB 1.563 39.583 38.000 0.033 0.000 1.250 903 I HN 0.020 nan 8.210 nan 0.000 0.446 904 G N 2.537 111.472 108.800 0.226 0.000 2.391 904 G HA2 0.250 4.210 3.960 0.000 0.000 0.234 904 G HA3 0.250 4.210 3.960 0.000 0.000 0.234 904 G C -2.015 172.996 174.900 0.186 0.000 1.284 904 G CA -0.606 44.606 45.100 0.187 0.000 0.873 904 G HN 0.613 nan 8.290 nan 0.000 0.549 905 P HA -0.104 nan 4.420 nan 0.000 0.218 905 P C 1.605 178.995 177.300 0.150 0.000 1.148 905 P CA 1.439 64.684 63.100 0.242 0.000 0.822 905 P CB 0.188 31.997 31.700 0.182 0.000 0.784 906 D N -0.203 120.257 120.400 0.099 0.000 2.144 906 D HA -0.185 4.455 4.640 0.000 0.000 0.199 906 D C 1.409 177.745 176.300 0.061 0.000 0.984 906 D CA 1.319 55.359 54.000 0.067 0.000 0.834 906 D CB -0.648 40.179 40.800 0.045 0.000 0.955 906 D HN 0.089 nan 8.370 nan 0.000 0.465 907 K N 0.722 121.161 120.400 0.065 0.000 2.097 907 K HA 0.004 4.324 4.320 0.000 0.000 0.205 907 K C 2.492 179.102 176.600 0.016 0.000 1.050 907 K CA 0.331 56.650 56.287 0.054 0.000 0.938 907 K CB -0.658 31.876 32.500 0.055 0.000 0.718 907 K HN 0.189 nan 8.250 nan 0.000 0.442 908 V N 2.012 121.918 119.914 -0.014 0.000 2.295 908 V HA -0.213 3.907 4.120 0.000 0.000 0.246 908 V C 2.399 178.448 176.094 -0.076 0.000 1.049 908 V CA 1.495 63.711 62.300 -0.140 0.000 1.024 908 V CB -0.424 31.291 31.823 -0.180 0.000 0.648 908 V HN 0.163 nan 8.190 nan 0.000 0.447 909 I N -0.309 120.267 120.570 0.009 0.000 2.179 909 I HA -0.326 3.844 4.170 0.000 0.000 0.242 909 I C 2.672 178.793 176.117 0.007 0.000 1.088 909 I CA 1.978 63.291 61.300 0.023 0.000 1.357 909 I CB -0.431 37.600 38.000 0.052 0.000 1.051 909 I HN 0.380 nan 8.210 nan 0.000 0.409 910 Q N 0.908 120.721 119.800 0.021 0.000 2.084 910 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 910 Q C 2.316 178.288 176.000 -0.047 0.000 0.978 910 Q CA 1.975 57.797 55.803 0.032 0.000 0.844 910 Q CB -0.068 28.723 28.738 0.089 0.000 0.898 910 Q HN 0.556 nan 8.270 nan 0.000 0.426 911 A N 0.307 123.085 122.820 -0.070 0.000 1.855 911 A HA -0.188 4.133 4.320 0.000 0.000 0.215 911 A C 2.296 179.812 177.584 -0.113 0.000 1.191 911 A CA 2.092 53.977 52.037 -0.254 0.000 0.613 911 A CB -1.311 17.675 19.000 -0.022 0.000 0.829 911 A HN 0.663 nan 8.150 nan 0.000 0.442 912 T N -2.938 111.591 114.554 -0.041 0.000 2.759 912 T HA -0.162 4.189 4.350 0.000 0.000 0.269 912 T C 1.793 176.489 174.700 -0.008 0.000 1.042 912 T CA 2.227 64.329 62.100 0.004 0.000 1.140 912 T CB -1.110 67.741 68.868 -0.029 0.000 0.864 912 T HN 0.316 nan 8.240 nan 0.000 0.455 913 T N 0.639 115.172 114.554 -0.034 0.000 2.746 913 T HA -0.035 4.315 4.350 0.000 0.000 0.267 913 T C 1.461 176.111 174.700 -0.083 0.000 1.039 913 T CA 1.407 63.486 62.100 -0.035 0.000 1.142 913 T CB -0.609 68.252 68.868 -0.011 0.000 0.866 913 T HN 0.531 nan 8.240 nan 0.000 0.444 914 Y N 0.986 121.097 120.300 -0.315 0.000 2.114 914 Y HA -0.124 4.426 4.550 0.000 0.000 0.284 914 Y C 1.840 177.468 175.900 -0.453 0.000 1.143 914 Y CA 1.237 59.050 58.100 -0.478 0.000 1.135 914 Y CB -0.631 37.266 38.460 -0.938 0.000 0.980 914 Y HN 0.239 nan 8.280 nan 0.000 0.499 915 F N -0.549 119.279 119.950 -0.203 0.000 2.293 915 F HA -0.155 4.373 4.527 0.000 0.000 0.300 915 F C 2.119 177.806 175.800 -0.188 0.000 1.086 915 F CA 0.648 58.521 58.000 -0.211 0.000 1.375 915 F CB -0.362 38.561 39.000 -0.128 0.000 1.045 915 F HN 0.031 nan 8.300 nan 0.000 0.516 916 L N -0.276 120.944 121.223 -0.006 0.000 2.362 916 L HA -0.196 4.144 4.340 0.000 0.000 0.219 916 L C 1.882 178.705 176.870 -0.078 0.000 1.134 916 L CA 1.054 55.876 54.840 -0.030 0.000 0.807 916 L CB -0.452 41.593 42.059 -0.024 0.000 0.927 916 L HN 0.246 nan 8.230 nan 0.000 0.447 917 Q N -0.454 119.256 119.800 -0.151 0.000 2.444 917 Q HA 0.032 4.372 4.340 0.000 0.000 0.206 917 Q C 0.077 175.983 176.000 -0.157 0.000 0.948 917 Q CA 0.418 56.121 55.803 -0.167 0.000 0.946 917 Q CB 0.387 28.980 28.738 -0.242 0.000 1.027 917 Q HN 0.392 nan 8.270 nan 0.000 0.513 918 K N 1.398 121.718 120.400 -0.132 0.000 2.156 918 K HA 0.375 4.695 4.320 0.000 0.000 0.250 918 K C -2.468 174.095 176.600 -0.062 0.000 0.955 918 K CA -2.033 54.203 56.287 -0.085 0.000 0.855 918 K CB 1.324 33.801 32.500 -0.039 0.000 1.101 918 K HN -0.120 nan 8.250 nan 0.000 0.434 919 P HA 0.106 nan 4.420 nan 0.000 0.278 919 P C -0.513 176.725 177.300 -0.103 0.000 1.258 919 P CA -0.517 62.530 63.100 -0.088 0.000 0.811 919 P CB 0.781 32.455 31.700 -0.043 0.000 1.063 920 V N 3.042 122.843 119.914 -0.189 0.000 2.521 920 V HA 0.072 4.192 4.120 0.000 0.000 0.286 920 V C -1.897 174.134 176.094 -0.106 0.000 1.034 920 V CA -1.213 60.990 62.300 -0.160 0.000 1.045 920 V CB -0.291 31.389 31.823 -0.237 0.000 0.974 920 V HN 0.554 nan 8.190 nan 0.000 0.480 921 P HA 0.050 nan 4.420 nan 0.000 0.253 921 P C 0.982 178.263 177.300 -0.032 0.000 1.159 921 P CA 1.588 64.659 63.100 -0.047 0.000 0.779 921 P CB 0.053 31.715 31.700 -0.064 0.000 0.745 922 G N 2.868 111.676 108.800 0.014 0.000 2.166 922 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 922 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 922 G C 0.326 175.321 174.900 0.159 0.000 0.986 922 G CA -0.026 45.103 45.100 0.048 0.000 0.683 922 G HN 0.601 nan 8.290 nan 0.000 0.527 923 F N 0.000 119.932 119.950 -0.030 0.000 2.286 923 F HA 0.000 4.527 4.527 0.000 0.000 0.279 923 F CA 0.000 57.992 58.000 -0.014 0.000 1.383 923 F CB 0.000 38.995 39.000 -0.009 0.000 1.145 923 F HN 0.000 nan 8.300 nan 0.000 0.574