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 3eh1_1_A DATA FIRST_RESID 518 DATA SEQUENCE QPESLRPVNL TQERNILPMT PVWAPVPNLN ADLKKLNCSP DSFRCTLTNI DATA SEQUENCE PQTQALLNKA KLPLGLLLHP FRDLTQLPVI TSNTIVRCRS CRTYINPFVS DATA SEQUENCE FIDQRRWKCN LCYRVNDVPE EFMXXXXXXX XXEPHKRPEV QNSTVEFIAS DATA SEQUENCE SDYMLRPPQP AVYLFVLDVS HNAVEAGYLT ILCQSLLENL DKLPGDSRTR DATA SEQUENCE IGFMTFDSTI HFYNLQEGLS QPQMLIVSDI DDVFLPTPDS LLVNLYESKE DATA SEQUENCE LIKDLLNALP NMFTNTRETH SALGPALQAA FKLMSPTGGR VSVFQTQLPS DATA SEQUENCE LGAGLLQSRE DPNQRSSTKV VQHLGPATDF YKKLALDCSG QQTAVDLFLL DATA SEQUENCE SSQYSDLASL ACMSKYSAGC IYYYPSFHYT HNPSQAEKLQ KDLKRYLTRK DATA SEQUENCE IGFEAVMRIR CTKGLSMHTF HGNFFVRSTD LLSLANINPD AGFAVQLSIE DATA SEQUENCE ESLTDTSLVC FQTALLYTSS KGERRIRVHT LCLPVVSSLA DVYAGVDVQA DATA SEQUENCE AICLLANMAV DRSVSSSLSD ARDALVNAVV DSLSAYGSTV XXXXXSALMA DATA SEQUENCE PSSLKLFPLY VLALLKQKAF RTGTSTRLDD RVYAMCQIKS QPLVHLMKMI DATA SEQUENCE HPNLYRIDRL TDEGAVHVND RIVPQPPLQK LSAEKLTREG AFLMDCGSVF DATA SEQUENCE YIWVGKGCDN NFIEDVLGYT NFASIPQKMT HLPELDTLSS ERARSFITWL DATA SEQUENCE RDSRPLSPIL HIVKDESPAK AEFFQHLIED RTEAAFSYYE FLLHVQQQIC DATA SEQUENCE K 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 518 Q HA 0.000 nan 4.340 nan 0.000 0.214 518 Q C 0.000 176.018 176.000 0.031 0.000 1.003 518 Q CA 0.000 55.822 55.803 0.032 0.000 1.022 518 Q CB 0.000 28.758 28.738 0.033 0.000 1.108 519 P HA -0.056 nan 4.420 nan 0.000 0.269 519 P C 0.412 177.730 177.300 0.030 0.000 1.215 519 P CA 0.087 63.204 63.100 0.028 0.000 0.780 519 P CB 0.963 32.681 31.700 0.030 0.000 0.898 520 E N 0.483 120.697 120.200 0.023 0.000 2.204 520 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 520 E C 1.438 178.050 176.600 0.021 0.000 0.990 520 E CA 1.337 57.750 56.400 0.022 0.000 0.821 520 E CB -0.558 29.153 29.700 0.018 0.000 0.750 520 E HN 0.460 nan 8.360 nan 0.000 0.477 521 S N 0.728 116.441 115.700 0.023 0.000 2.500 521 S HA -0.052 4.417 4.470 -0.001 0.000 0.239 521 S C 1.759 176.368 174.600 0.015 0.000 0.989 521 S CA 0.662 58.873 58.200 0.018 0.000 0.951 521 S CB -0.256 62.958 63.200 0.023 0.000 0.759 521 S HN 0.325 nan 8.310 nan 0.000 0.523 522 L N 0.276 121.520 121.223 0.035 0.000 2.693 522 L HA 0.325 4.664 4.340 -0.001 0.000 0.235 522 L C 1.196 178.102 176.870 0.061 0.000 1.127 522 L CA -0.400 54.476 54.840 0.060 0.000 0.914 522 L CB 0.028 42.147 42.059 0.101 0.000 1.193 522 L HN 0.195 nan 8.230 nan 0.000 0.502 523 R N 2.463 122.985 120.500 0.036 0.000 2.502 523 R HA 0.077 4.416 4.340 -0.001 0.000 0.292 523 R C -2.261 174.059 176.300 0.034 0.000 0.998 523 R CA -1.280 54.843 56.100 0.037 0.000 1.056 523 R CB 0.429 30.744 30.300 0.024 0.000 0.939 523 R HN -0.130 nan 8.270 nan 0.000 0.411 524 P HA -0.010 nan 4.420 nan 0.000 0.268 524 P C -1.234 176.086 177.300 0.033 0.000 1.205 524 P CA -0.097 63.048 63.100 0.075 0.000 0.771 524 P CB 0.900 32.660 31.700 0.101 0.000 0.858 525 V N 3.246 123.169 119.914 0.016 0.000 2.525 525 V HA 0.276 4.396 4.120 -0.001 0.000 0.299 525 V C 0.028 176.132 176.094 0.015 0.000 1.034 525 V CA -0.686 61.619 62.300 0.008 0.000 0.863 525 V CB 1.801 33.617 31.823 -0.012 0.000 0.999 525 V HN 0.485 nan 8.190 nan 0.000 0.423 526 N N 4.548 123.261 118.700 0.021 0.000 2.448 526 N HA 0.245 4.985 4.740 -0.001 0.000 0.250 526 N C 0.900 176.424 175.510 0.023 0.000 1.136 526 N CA -0.054 53.007 53.050 0.019 0.000 0.953 526 N CB 0.970 39.468 38.487 0.019 0.000 1.251 526 N HN 0.710 nan 8.380 nan 0.000 0.502 527 L N 1.800 123.031 121.223 0.014 0.000 2.201 527 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 527 L C 1.901 178.786 176.870 0.025 0.000 1.105 527 L CA 0.945 55.807 54.840 0.037 0.000 0.775 527 L CB -0.393 41.673 42.059 0.012 0.000 0.913 527 L HN 0.420 nan 8.230 nan 0.000 0.440 528 T N -1.052 113.490 114.554 -0.020 0.000 2.788 528 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 528 T C 1.897 176.626 174.700 0.048 0.000 1.044 528 T CA 1.104 63.186 62.100 -0.031 0.000 1.139 528 T CB 0.003 68.838 68.868 -0.055 0.000 0.867 528 T HN 0.324 nan 8.240 nan 0.000 0.454 529 Q N 0.390 120.220 119.800 0.050 0.000 2.324 529 Q HA 0.188 4.528 4.340 -0.001 0.000 0.207 529 Q C 0.961 177.005 176.000 0.073 0.000 0.928 529 Q CA 0.249 56.090 55.803 0.063 0.000 0.890 529 Q CB -0.206 28.556 28.738 0.041 0.000 1.001 529 Q HN 0.404 nan 8.270 nan 0.000 0.517 530 E N 2.003 122.245 120.200 0.070 0.000 2.328 530 E HA -0.032 4.318 4.350 -0.001 0.000 0.265 530 E C 0.285 176.939 176.600 0.090 0.000 1.057 530 E CA 0.359 56.799 56.400 0.066 0.000 0.916 530 E CB 0.308 30.039 29.700 0.052 0.000 0.993 530 E HN 0.018 nan 8.360 nan 0.000 0.446 531 R N 3.399 123.938 120.500 0.066 0.000 2.362 531 R HA 0.195 4.535 4.340 -0.001 0.000 0.227 531 R C -0.206 176.101 176.300 0.012 0.000 0.905 531 R CA 0.086 56.221 56.100 0.058 0.000 1.067 531 R CB 0.221 30.553 30.300 0.052 0.000 1.078 531 R HN 0.422 nan 8.270 nan 0.000 0.516 532 N N 1.198 119.903 118.700 0.009 0.000 2.746 532 N HA 0.180 4.920 4.740 -0.001 0.000 0.250 532 N C 0.504 176.006 175.510 -0.015 0.000 1.146 532 N CA -0.132 52.914 53.050 -0.008 0.000 0.828 532 N CB 1.130 39.620 38.487 0.005 0.000 1.158 532 N HN 0.139 nan 8.380 nan 0.000 0.519 533 I N -1.674 118.869 120.570 -0.045 0.000 4.124 533 I HA 0.305 4.475 4.170 -0.001 0.000 0.311 533 I C 0.118 176.188 176.117 -0.077 0.000 1.259 533 I CA -0.071 61.197 61.300 -0.052 0.000 1.315 533 I CB 0.316 38.280 38.000 -0.060 0.000 1.223 533 I HN 0.169 nan 8.210 nan 0.000 0.441 534 L N 5.751 126.913 121.223 -0.102 0.000 2.500 534 L HA 0.403 4.742 4.340 -0.001 0.000 0.272 534 L C -1.941 174.907 176.870 -0.036 0.000 1.149 534 L CA -1.575 53.203 54.840 -0.104 0.000 0.897 534 L CB -0.223 41.773 42.059 -0.105 0.000 1.178 534 L HN 0.091 nan 8.230 nan 0.000 0.473 535 P HA 0.011 nan 4.420 nan 0.000 0.269 535 P C 0.386 177.715 177.300 0.049 0.000 1.215 535 P CA -0.145 62.973 63.100 0.031 0.000 0.780 535 P CB 0.678 32.410 31.700 0.054 0.000 0.898 536 M N -0.177 119.465 119.600 0.070 0.000 2.492 536 M HA -0.000 4.479 4.480 -0.001 0.000 0.262 536 M C 1.023 177.398 176.300 0.125 0.000 1.090 536 M CA 1.004 56.358 55.300 0.091 0.000 1.110 536 M CB -0.414 32.237 32.600 0.085 0.000 1.407 536 M HN 0.471 nan 8.290 nan 0.000 0.470 537 T N -2.430 112.195 114.554 0.119 0.000 2.926 537 T HA 0.550 4.900 4.350 -0.001 0.000 0.289 537 T C -2.776 171.964 174.700 0.066 0.000 1.054 537 T CA -2.146 60.031 62.100 0.128 0.000 1.015 537 T CB 1.242 70.202 68.868 0.153 0.000 1.167 537 T HN -0.209 nan 8.240 nan 0.000 0.526 538 P HA 0.215 nan 4.420 nan 0.000 0.266 538 P C -0.604 176.559 177.300 -0.229 0.000 1.195 538 P CA -0.427 62.602 63.100 -0.118 0.000 0.768 538 P CB 0.261 31.839 31.700 -0.204 0.000 0.838 539 V N 3.848 123.687 119.914 -0.126 0.000 2.508 539 V HA 0.054 4.174 4.120 -0.001 0.000 0.281 539 V C 0.038 176.067 176.094 -0.108 0.000 1.041 539 V CA -0.076 62.199 62.300 -0.043 0.000 1.016 539 V CB -0.363 31.493 31.823 0.055 0.000 0.984 539 V HN 0.540 nan 8.190 nan 0.000 0.478 540 W N 2.574 123.906 121.300 0.053 0.000 2.313 540 W HA 0.628 5.287 4.660 -0.001 0.000 0.328 540 W C 0.518 177.058 176.519 0.034 0.000 1.197 540 W CA -0.424 56.948 57.345 0.045 0.000 1.235 540 W CB 0.724 30.211 29.460 0.044 0.000 1.158 540 W HN 0.675 nan 8.180 nan 0.000 0.578 541 A N 3.773 126.756 122.820 0.271 0.000 2.462 541 A HA 0.411 4.730 4.320 -0.001 0.000 0.243 541 A C -2.211 175.463 177.584 0.150 0.000 1.076 541 A CA -1.134 50.997 52.037 0.157 0.000 0.773 541 A CB -0.537 18.533 19.000 0.118 0.000 1.010 541 A HN 0.420 nan 8.150 nan 0.000 0.493 542 P HA 0.240 nan 4.420 nan 0.000 0.271 542 P C -0.681 176.649 177.300 0.050 0.000 1.220 542 P CA -0.158 62.981 63.100 0.066 0.000 0.768 542 P CB 0.740 32.463 31.700 0.038 0.000 0.848 543 V N 7.013 126.952 119.914 0.041 0.000 2.470 543 V HA 0.121 4.241 4.120 -0.001 0.000 0.276 543 V C -1.797 174.309 176.094 0.019 0.000 1.040 543 V CA -1.319 61.000 62.300 0.032 0.000 1.008 543 V CB 0.168 32.003 31.823 0.020 0.000 0.990 543 V HN 0.569 nan 8.190 nan 0.000 0.477 544 P HA 0.019 nan 4.420 nan 0.000 0.263 544 P C 0.003 177.307 177.300 0.007 0.000 1.195 544 P CA -0.005 63.096 63.100 0.000 0.000 0.762 544 P CB 0.168 31.859 31.700 -0.015 0.000 0.799 545 N N 3.886 122.588 118.700 0.004 0.000 2.892 545 N HA 0.043 4.782 4.740 -0.001 0.000 0.300 545 N C -0.680 174.837 175.510 0.011 0.000 1.211 545 N CA 0.401 53.456 53.050 0.009 0.000 1.158 545 N CB -0.814 37.677 38.487 0.007 0.000 1.455 545 N HN 0.308 nan 8.380 nan 0.000 0.524 546 L N 0.735 121.971 121.223 0.021 0.000 2.335 546 L HA 0.455 4.795 4.340 -0.001 0.000 0.268 546 L C 0.669 177.566 176.870 0.045 0.000 1.016 546 L CA -1.526 53.334 54.840 0.033 0.000 0.805 546 L CB 0.797 42.884 42.059 0.047 0.000 1.311 546 L HN 0.398 nan 8.230 nan 0.000 0.456 547 N N 0.130 118.863 118.700 0.055 0.000 2.415 547 N HA 0.096 4.836 4.740 -0.001 0.000 0.248 547 N C 0.675 176.220 175.510 0.059 0.000 1.271 547 N CA 0.290 53.370 53.050 0.051 0.000 0.913 547 N CB 0.682 39.201 38.487 0.052 0.000 1.129 547 N HN 0.693 nan 8.380 nan 0.000 0.444 548 A N 0.906 123.753 122.820 0.045 0.000 1.903 548 A HA -0.298 4.021 4.320 -0.001 0.000 0.219 548 A C 1.624 179.242 177.584 0.056 0.000 1.191 548 A CA 2.069 54.132 52.037 0.044 0.000 0.638 548 A CB -0.957 18.062 19.000 0.031 0.000 0.823 548 A HN 0.853 nan 8.150 nan 0.000 0.451 549 D N -0.053 120.382 120.400 0.059 0.000 2.104 549 D HA -0.135 4.504 4.640 -0.001 0.000 0.194 549 D C 2.017 178.373 176.300 0.094 0.000 0.994 549 D CA 1.478 55.516 54.000 0.063 0.000 0.830 549 D CB -0.396 40.437 40.800 0.055 0.000 0.959 549 D HN 0.502 nan 8.370 nan 0.000 0.452 550 L N 0.667 121.973 121.223 0.139 0.000 2.093 550 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 550 L C 2.466 179.488 176.870 0.253 0.000 1.085 550 L CA 0.916 55.909 54.840 0.256 0.000 0.755 550 L CB -0.315 41.933 42.059 0.316 0.000 0.904 550 L HN -0.047 nan 8.230 nan 0.000 0.435 551 K N 0.589 121.081 120.400 0.154 0.000 2.063 551 K HA -0.210 4.109 4.320 -0.001 0.000 0.208 551 K C 2.106 178.781 176.600 0.124 0.000 1.048 551 K CA 1.492 57.853 56.287 0.123 0.000 0.928 551 K CB -0.107 32.437 32.500 0.074 0.000 0.713 551 K HN 0.256 nan 8.250 nan 0.000 0.442 552 K N 0.576 121.037 120.400 0.101 0.000 2.209 552 K HA -0.078 4.241 4.320 -0.001 0.000 0.204 552 K C 1.791 178.450 176.600 0.097 0.000 1.048 552 K CA 0.857 57.193 56.287 0.082 0.000 0.940 552 K CB 0.036 32.570 32.500 0.056 0.000 0.729 552 K HN 0.133 nan 8.250 nan 0.000 0.451 553 L N 0.385 121.684 121.223 0.128 0.000 2.529 553 L HA 0.036 4.376 4.340 -0.001 0.000 0.223 553 L C 0.730 177.765 176.870 0.275 0.000 1.113 553 L CA -0.363 54.540 54.840 0.105 0.000 0.861 553 L CB -0.183 41.835 42.059 -0.069 0.000 1.012 553 L HN 0.097 nan 8.230 nan 0.000 0.461 554 N N -0.034 118.881 118.700 0.358 0.000 2.415 554 N HA -0.021 4.718 4.740 -0.001 0.000 0.248 554 N C -0.231 175.441 175.510 0.269 0.000 1.271 554 N CA -0.096 53.183 53.050 0.382 0.000 0.913 554 N CB 0.714 39.331 38.487 0.217 0.000 1.129 554 N HN 0.035 nan 8.380 nan 0.000 0.444 555 C N 1.308 120.772 119.300 0.273 0.000 2.679 555 C HA 0.109 4.568 4.460 -0.001 0.000 0.417 555 C C 1.256 176.355 174.990 0.181 0.000 1.302 555 C CA -0.304 58.866 59.018 0.253 0.000 1.973 555 C CB -0.485 27.444 27.740 0.315 0.000 2.715 555 C HN 0.645 nan 8.230 nan 0.000 0.628 556 S N 5.625 121.426 115.700 0.167 0.000 2.533 556 S HA 0.216 4.685 4.470 -0.001 0.000 0.282 556 S C -0.864 173.805 174.600 0.115 0.000 1.304 556 S CA -0.845 57.431 58.200 0.127 0.000 1.063 556 S CB 0.930 64.194 63.200 0.106 0.000 0.881 556 S HN 0.766 nan 8.310 nan 0.000 0.493 557 P HA -0.028 nan 4.420 nan 0.000 0.230 557 P C 0.303 177.652 177.300 0.082 0.000 1.158 557 P CA 0.716 63.869 63.100 0.088 0.000 0.769 557 P CB 0.105 31.860 31.700 0.091 0.000 0.807 558 D N -0.790 119.655 120.400 0.076 0.000 2.317 558 D HA 0.003 4.642 4.640 -0.001 0.000 0.211 558 D C 1.672 178.007 176.300 0.060 0.000 0.966 558 D CA 0.847 54.883 54.000 0.060 0.000 0.876 558 D CB 0.160 40.985 40.800 0.042 0.000 0.927 558 D HN 0.164 nan 8.370 nan 0.000 0.519 559 S N -0.689 115.035 115.700 0.040 0.000 2.545 559 S HA 0.130 4.600 4.470 -0.001 0.000 0.232 559 S C 0.058 174.689 174.600 0.052 0.000 1.070 559 S CA -0.281 57.885 58.200 -0.055 0.000 0.923 559 S CB 1.322 64.374 63.200 -0.247 0.000 0.806 559 S HN 0.102 nan 8.310 nan 0.000 0.506 560 F N 2.622 122.531 119.950 -0.067 0.000 2.651 560 F HA 0.517 5.044 4.527 -0.001 0.000 0.329 560 F C -1.001 174.799 175.800 -0.000 0.000 1.186 560 F CA -1.226 56.758 58.000 -0.026 0.000 1.046 560 F CB 1.115 40.106 39.000 -0.016 0.000 1.296 560 F HN 0.052 nan 8.300 nan 0.000 0.497 561 R N 3.657 124.163 120.500 0.011 0.000 2.764 561 R HA 0.854 5.193 4.340 -0.001 0.000 0.270 561 R C -2.013 174.139 176.300 -0.247 0.000 1.014 561 R CA -0.818 55.195 56.100 -0.144 0.000 0.904 561 R CB 1.593 31.874 30.300 -0.032 0.000 1.236 561 R HN 0.638 nan 8.270 nan 0.000 0.466 562 C N 1.443 120.591 119.300 -0.253 0.000 2.493 562 C HA 0.469 4.928 4.460 -0.001 0.000 0.326 562 C C 1.893 176.788 174.990 -0.158 0.000 1.200 562 C CA 0.212 59.063 59.018 -0.277 0.000 1.739 562 C CB 1.804 29.333 27.740 -0.352 0.000 2.300 562 C HN 1.012 nan 8.230 nan 0.000 0.500 563 T N 1.769 116.237 114.554 -0.143 0.000 2.915 563 T HA 0.054 4.404 4.350 -0.001 0.000 0.269 563 T C 0.354 174.998 174.700 -0.094 0.000 1.071 563 T CA 1.039 63.080 62.100 -0.100 0.000 1.132 563 T CB -0.245 68.569 68.868 -0.090 0.000 0.878 563 T HN 0.588 nan 8.240 nan 0.000 0.479 564 L N 2.644 123.806 121.223 -0.100 0.000 2.401 564 L HA 0.384 4.723 4.340 -0.001 0.000 0.263 564 L C 1.532 178.364 176.870 -0.063 0.000 1.004 564 L CA -0.557 54.235 54.840 -0.080 0.000 0.881 564 L CB 1.627 43.637 42.059 -0.081 0.000 1.219 564 L HN 0.198 nan 8.230 nan 0.000 0.441 565 T N -1.883 112.640 114.554 -0.051 0.000 2.962 565 T HA -0.013 4.337 4.350 -0.001 0.000 0.270 565 T C 0.848 175.536 174.700 -0.021 0.000 1.088 565 T CA 0.644 62.723 62.100 -0.035 0.000 1.127 565 T CB -0.153 68.700 68.868 -0.026 0.000 0.883 565 T HN 0.317 nan 8.240 nan 0.000 0.493 566 N N 2.053 120.736 118.700 -0.028 0.000 2.527 566 N HA 0.351 5.090 4.740 -0.001 0.000 0.236 566 N C -0.786 174.706 175.510 -0.030 0.000 0.999 566 N CA -0.566 52.469 53.050 -0.026 0.000 0.935 566 N CB 0.775 39.243 38.487 -0.032 0.000 1.132 566 N HN 0.286 nan 8.380 nan 0.000 0.511 567 I N 3.417 123.983 120.570 -0.007 0.000 2.471 567 I HA 0.184 4.353 4.170 -0.001 0.000 0.286 567 I C -1.903 174.206 176.117 -0.015 0.000 1.079 567 I CA -2.043 59.261 61.300 0.006 0.000 1.398 567 I CB 0.354 38.386 38.000 0.054 0.000 1.403 567 I HN 0.093 nan 8.210 nan 0.000 0.530 568 P HA 0.042 nan 4.420 nan 0.000 0.268 568 P C 0.547 177.837 177.300 -0.018 0.000 1.204 568 P CA -0.032 63.045 63.100 -0.039 0.000 0.768 568 P CB 0.586 32.255 31.700 -0.051 0.000 0.842 569 Q N 2.011 121.799 119.800 -0.020 0.000 2.167 569 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 569 Q C 0.358 176.354 176.000 -0.006 0.000 0.970 569 Q CA 1.222 57.019 55.803 -0.011 0.000 0.855 569 Q CB 0.163 28.893 28.738 -0.013 0.000 0.911 569 Q HN 0.637 nan 8.270 nan 0.000 0.438 570 T N -4.173 110.376 114.554 -0.010 0.000 2.901 570 T HA 0.211 4.560 4.350 -0.001 0.000 0.293 570 T C 0.233 174.929 174.700 -0.006 0.000 1.084 570 T CA -0.759 61.339 62.100 -0.005 0.000 1.008 570 T CB 1.497 70.361 68.868 -0.006 0.000 1.170 570 T HN -0.032 nan 8.240 nan 0.000 0.509 571 Q N 0.880 120.680 119.800 -0.000 0.000 2.224 571 Q HA 0.112 4.451 4.340 -0.001 0.000 0.203 571 Q C 2.205 178.201 176.000 -0.007 0.000 0.970 571 Q CA 2.202 58.004 55.803 -0.001 0.000 0.865 571 Q CB -0.927 27.815 28.738 0.006 0.000 0.922 571 Q HN 0.886 nan 8.270 nan 0.000 0.445 572 A N 0.078 122.894 122.820 -0.006 0.000 1.877 572 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 572 A C 1.962 179.538 177.584 -0.014 0.000 1.186 572 A CA 1.448 53.481 52.037 -0.007 0.000 0.620 572 A CB -0.821 18.177 19.000 -0.005 0.000 0.822 572 A HN 0.470 nan 8.150 nan 0.000 0.443 573 L N -0.769 120.441 121.223 -0.021 0.000 2.056 573 L HA -0.086 4.254 4.340 -0.001 0.000 0.207 573 L C 2.223 179.062 176.870 -0.051 0.000 1.078 573 L CA 1.891 56.709 54.840 -0.036 0.000 0.749 573 L CB -0.596 41.438 42.059 -0.042 0.000 0.901 573 L HN 0.359 nan 8.230 nan 0.000 0.433 574 L N -0.061 121.136 121.223 -0.043 0.000 2.046 574 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 574 L C 2.221 179.070 176.870 -0.035 0.000 1.077 574 L CA 1.746 56.557 54.840 -0.049 0.000 0.747 574 L CB -1.066 40.973 42.059 -0.034 0.000 0.896 574 L HN 0.364 nan 8.230 nan 0.000 0.432 575 N N 0.102 118.791 118.700 -0.020 0.000 2.166 575 N HA -0.178 4.561 4.740 -0.001 0.000 0.186 575 N C 1.732 177.245 175.510 0.005 0.000 1.019 575 N CA 1.388 54.435 53.050 -0.006 0.000 0.856 575 N CB -0.203 38.283 38.487 -0.002 0.000 0.993 575 N HN 0.473 nan 8.380 nan 0.000 0.426 576 K N 0.655 121.054 120.400 -0.001 0.000 2.211 576 K HA 0.053 4.372 4.320 -0.001 0.000 0.203 576 K C 1.856 178.479 176.600 0.038 0.000 1.050 576 K CA 0.897 57.193 56.287 0.017 0.000 0.945 576 K CB 0.023 32.527 32.500 0.006 0.000 0.732 576 K HN 0.125 nan 8.250 nan 0.000 0.451 577 A N 1.163 123.976 122.820 -0.011 0.000 2.016 577 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 577 A C 0.810 178.456 177.584 0.102 0.000 1.162 577 A CA 1.066 53.086 52.037 -0.029 0.000 0.662 577 A CB 0.081 18.954 19.000 -0.213 0.000 0.812 577 A HN 0.161 nan 8.150 nan 0.000 0.450 578 K N -2.585 117.854 120.400 0.064 0.000 3.467 578 K HA -0.203 4.116 4.320 -0.001 0.000 0.375 578 K C 0.218 176.857 176.600 0.065 0.000 0.589 578 K CA 1.450 57.785 56.287 0.080 0.000 1.651 578 K CB -2.446 30.132 32.500 0.130 0.000 1.135 578 K HN 0.492 nan 8.250 nan 0.000 0.459 579 L N 4.522 125.776 121.223 0.052 0.000 2.514 579 L HA 0.088 4.427 4.340 -0.001 0.000 0.280 579 L C -1.441 175.418 176.870 -0.018 0.000 1.223 579 L CA -1.208 53.633 54.840 0.003 0.000 0.864 579 L CB -0.185 41.845 42.059 -0.048 0.000 1.118 579 L HN 0.045 nan 8.230 nan 0.000 0.494 580 P HA 0.133 nan 4.420 nan 0.000 0.280 580 P C -0.939 176.330 177.300 -0.051 0.000 1.244 580 P CA -0.564 62.521 63.100 -0.026 0.000 0.784 580 P CB 1.588 33.283 31.700 -0.008 0.000 0.913 581 L N 3.550 124.738 121.223 -0.058 0.000 2.264 581 L HA 0.765 5.105 4.340 -0.001 0.000 0.289 581 L C 0.080 176.899 176.870 -0.085 0.000 1.044 581 L CA 0.321 55.117 54.840 -0.073 0.000 0.807 581 L CB 0.621 42.647 42.059 -0.055 0.000 1.192 581 L HN 0.684 nan 8.230 nan 0.000 0.425 582 G N 4.681 113.410 108.800 -0.118 0.000 2.608 582 G HA2 0.555 4.515 3.960 -0.001 0.000 0.291 582 G HA3 0.555 4.515 3.960 -0.001 0.000 0.291 582 G C -2.059 172.730 174.900 -0.184 0.000 1.425 582 G CA -0.829 44.196 45.100 -0.124 0.000 0.787 582 G HN 0.600 nan 8.290 nan 0.000 0.484 583 L N -0.441 120.697 121.223 -0.141 0.000 2.354 583 L HA 0.706 5.046 4.340 -0.001 0.000 0.269 583 L C -1.015 175.894 176.870 0.065 0.000 1.005 583 L CA -0.898 53.875 54.840 -0.111 0.000 0.819 583 L CB 2.140 44.151 42.059 -0.080 0.000 1.311 583 L HN 0.269 nan 8.230 nan 0.000 0.423 584 L N 3.841 125.132 121.223 0.112 0.000 2.365 584 L HA 0.700 5.039 4.340 -0.001 0.000 0.273 584 L C -0.658 176.382 176.870 0.284 0.000 1.000 584 L CA -0.220 54.718 54.840 0.164 0.000 0.819 584 L CB 1.972 44.077 42.059 0.077 0.000 1.284 584 L HN 0.409 nan 8.230 nan 0.000 0.418 585 L N -0.458 120.934 121.223 0.280 0.000 2.424 585 L HA 0.698 5.037 4.340 -0.001 0.000 0.258 585 L C -1.013 176.036 176.870 0.299 0.000 0.995 585 L CA -0.791 54.207 54.840 0.264 0.000 0.821 585 L CB 2.214 44.350 42.059 0.128 0.000 1.383 585 L HN 0.514 nan 8.230 nan 0.000 0.410 586 H N 2.547 121.682 119.070 0.108 0.000 2.439 586 H HA 0.349 4.905 4.556 -0.001 0.000 0.228 586 H C -2.356 173.022 175.328 0.083 0.000 1.423 586 H CA -2.334 53.785 56.048 0.117 0.000 1.386 586 H CB 0.935 30.730 29.762 0.055 0.000 1.641 586 H HN 0.469 nan 8.280 nan 0.000 0.508 587 P HA -0.149 nan 4.420 nan 0.000 0.219 587 P C 0.619 178.133 177.300 0.357 0.000 1.146 587 P CA 0.880 64.094 63.100 0.191 0.000 0.808 587 P CB 0.192 31.979 31.700 0.146 0.000 0.779 588 F N 0.785 120.792 119.950 0.095 0.000 2.735 588 F HA 0.271 4.798 4.527 -0.001 0.000 0.308 588 F C 1.031 176.797 175.800 -0.057 0.000 1.112 588 F CA -1.650 56.356 58.000 0.010 0.000 1.235 588 F CB -0.123 38.858 39.000 -0.031 0.000 1.027 588 F HN -0.242 nan 8.300 nan 0.000 0.528 589 R N 0.454 120.844 120.500 -0.183 0.000 2.756 589 R HA 0.042 4.381 4.340 -0.001 0.000 0.264 589 R C -0.669 175.458 176.300 -0.290 0.000 1.026 589 R CA -0.186 55.660 56.100 -0.423 0.000 1.121 589 R CB 0.065 29.812 30.300 -0.922 0.000 0.999 589 R HN 0.042 nan 8.270 nan 0.000 0.449 590 D N 2.478 122.743 120.400 -0.224 0.000 2.417 590 D HA 0.127 4.766 4.640 -0.001 0.000 0.250 590 D C -0.013 176.214 176.300 -0.121 0.000 1.166 590 D CA 0.289 54.183 54.000 -0.177 0.000 0.881 590 D CB 0.670 41.404 40.800 -0.110 0.000 1.164 590 D HN 0.335 nan 8.370 nan 0.000 0.467 591 L N 1.077 122.239 121.223 -0.101 0.000 2.330 591 L HA 0.293 4.632 4.340 -0.001 0.000 0.271 591 L C 1.842 178.694 176.870 -0.031 0.000 1.013 591 L CA -0.709 54.101 54.840 -0.050 0.000 0.816 591 L CB 1.868 43.908 42.059 -0.032 0.000 1.287 591 L HN 0.383 nan 8.230 nan 0.000 0.435 592 T N -2.185 112.365 114.554 -0.008 0.000 3.014 592 T HA -0.006 4.344 4.350 -0.001 0.000 0.263 592 T C 0.367 175.068 174.700 0.002 0.000 1.078 592 T CA 0.339 62.440 62.100 0.002 0.000 1.135 592 T CB 0.010 68.889 68.868 0.018 0.000 0.895 592 T HN 0.678 nan 8.240 nan 0.000 0.480 593 Q N -0.050 119.751 119.800 0.002 0.000 2.340 593 Q HA 0.699 5.039 4.340 -0.001 0.000 0.276 593 Q C -2.040 173.957 176.000 -0.006 0.000 1.048 593 Q CA -1.381 54.421 55.803 -0.001 0.000 0.832 593 Q CB 2.160 30.901 28.738 0.006 0.000 1.373 593 Q HN 0.201 nan 8.270 nan 0.000 0.409 594 L N 1.988 123.200 121.223 -0.017 0.000 2.639 594 L HA 0.543 4.882 4.340 -0.001 0.000 0.264 594 L C -2.919 173.921 176.870 -0.051 0.000 0.948 594 L CA -1.088 53.734 54.840 -0.030 0.000 0.912 594 L CB 2.039 44.080 42.059 -0.029 0.000 1.294 594 L HN 0.565 nan 8.230 nan 0.000 0.412 595 P HA 0.268 nan 4.420 nan 0.000 0.270 595 P C -1.057 176.161 177.300 -0.137 0.000 1.242 595 P CA -0.039 63.004 63.100 -0.095 0.000 0.768 595 P CB 0.870 32.506 31.700 -0.107 0.000 0.820 596 V N 6.022 125.873 119.914 -0.105 0.000 2.370 596 V HA 0.322 4.441 4.120 -0.001 0.000 0.279 596 V C 0.415 176.445 176.094 -0.108 0.000 1.029 596 V CA -0.424 61.810 62.300 -0.110 0.000 0.870 596 V CB 1.064 32.855 31.823 -0.054 0.000 0.984 596 V HN 0.406 nan 8.190 nan 0.000 0.451 597 I N 4.737 125.217 120.570 -0.150 0.000 2.339 597 I HA 0.407 4.577 4.170 -0.001 0.000 0.290 597 I C 0.281 176.434 176.117 0.060 0.000 0.994 597 I CA -0.224 61.038 61.300 -0.062 0.000 1.191 597 I CB 1.971 39.895 38.000 -0.127 0.000 1.343 597 I HN 0.680 nan 8.210 nan 0.000 0.458 598 T N 1.313 115.903 114.554 0.059 0.000 2.963 598 T HA 0.594 4.943 4.350 -0.001 0.000 0.343 598 T C -0.299 174.452 174.700 0.085 0.000 1.146 598 T CA -0.588 61.554 62.100 0.071 0.000 1.016 598 T CB 0.633 69.523 68.868 0.036 0.000 1.046 598 T HN 0.416 nan 8.240 nan 0.000 0.496 599 S N 2.474 118.247 115.700 0.121 0.000 2.549 599 S HA 0.385 4.854 4.470 -0.001 0.000 0.280 599 S C 0.934 175.592 174.600 0.096 0.000 1.109 599 S CA -1.142 57.126 58.200 0.113 0.000 0.905 599 S CB 1.686 64.984 63.200 0.164 0.000 1.081 599 S HN 0.767 nan 8.310 nan 0.000 0.477 600 N N 0.750 119.498 118.700 0.080 0.000 2.289 600 N HA -0.081 4.658 4.740 -0.001 0.000 0.184 600 N C 0.399 175.953 175.510 0.074 0.000 1.016 600 N CA 0.791 53.883 53.050 0.069 0.000 0.872 600 N CB 0.219 38.740 38.487 0.057 0.000 0.973 600 N HN 0.417 nan 8.380 nan 0.000 0.433 601 T N 0.371 114.976 114.554 0.085 0.000 2.879 601 T HA 0.451 4.800 4.350 -0.001 0.000 0.290 601 T C -0.999 173.734 174.700 0.055 0.000 0.993 601 T CA -0.627 61.516 62.100 0.072 0.000 0.975 601 T CB 0.848 69.760 68.868 0.072 0.000 0.981 601 T HN -0.064 nan 8.240 nan 0.000 0.439 602 I N 5.486 126.049 120.570 -0.012 0.000 2.297 602 I HA 0.296 4.465 4.170 -0.001 0.000 0.291 602 I C 0.185 176.210 176.117 -0.154 0.000 1.033 602 I CA -0.892 60.298 61.300 -0.183 0.000 1.253 602 I CB 1.509 39.313 38.000 -0.326 0.000 1.396 602 I HN 0.345 nan 8.210 nan 0.000 0.476 603 V N 8.037 127.848 119.914 -0.172 0.000 2.446 603 V HA 0.202 4.322 4.120 -0.001 0.000 0.276 603 V C 0.444 176.419 176.094 -0.197 0.000 1.030 603 V CA 0.083 62.254 62.300 -0.214 0.000 1.033 603 V CB -0.272 31.237 31.823 -0.523 0.000 0.993 603 V HN 0.713 nan 8.190 nan 0.000 0.477 604 R N 2.925 123.391 120.500 -0.058 0.000 2.771 604 R HA 0.490 4.830 4.340 -0.001 0.000 0.274 604 R C -0.812 175.611 176.300 0.205 0.000 0.987 604 R CA -0.720 55.358 56.100 -0.037 0.000 0.908 604 R CB 1.701 31.825 30.300 -0.293 0.000 1.213 604 R HN 0.693 nan 8.270 nan 0.000 0.468 605 C N 2.655 122.102 119.300 0.245 0.000 2.642 605 C HA 0.051 4.510 4.460 -0.001 0.000 0.420 605 C C 2.044 176.988 174.990 -0.076 0.000 1.349 605 C CA -0.144 58.887 59.018 0.022 0.000 1.821 605 C CB -0.134 27.580 27.740 -0.042 0.000 2.637 605 C HN 0.957 nan 8.230 nan 0.000 0.605 606 R N 3.262 123.680 120.500 -0.137 0.000 2.189 606 R HA -0.024 4.315 4.340 -0.001 0.000 0.223 606 R C 1.568 177.805 176.300 -0.105 0.000 1.092 606 R CA 1.870 57.903 56.100 -0.111 0.000 0.989 606 R CB -0.284 29.942 30.300 -0.122 0.000 0.876 606 R HN 0.647 nan 8.270 nan 0.000 0.457 607 S N 0.281 115.909 115.700 -0.120 0.000 2.502 607 S HA 0.010 4.479 4.470 -0.001 0.000 0.228 607 S C 1.737 176.286 174.600 -0.085 0.000 1.061 607 S CA 0.409 58.549 58.200 -0.099 0.000 0.935 607 S CB 0.613 63.749 63.200 -0.106 0.000 0.809 607 S HN 0.690 nan 8.310 nan 0.000 0.510 608 C N 0.413 119.660 119.300 -0.088 0.000 3.336 608 C HA 0.548 5.007 4.460 -0.001 0.000 0.291 608 C C 0.669 175.622 174.990 -0.063 0.000 1.363 608 C CA -0.492 58.484 59.018 -0.069 0.000 1.737 608 C CB -0.224 27.472 27.740 -0.073 0.000 2.274 608 C HN 0.376 nan 8.230 nan 0.000 0.663 609 R N 0.452 120.902 120.500 -0.082 0.000 3.951 609 R HA -0.126 4.213 4.340 -0.001 0.000 0.352 609 R C 0.010 176.197 176.300 -0.188 0.000 1.178 609 R CA 1.240 57.260 56.100 -0.133 0.000 0.949 609 R CB -3.369 26.853 30.300 -0.129 0.000 1.452 609 R HN 0.675 nan 8.270 nan 0.000 0.540 610 T N 1.470 115.990 114.554 -0.057 0.000 2.940 610 T HA 0.195 4.544 4.350 -0.001 0.000 0.309 610 T C 0.495 175.189 174.700 -0.010 0.000 1.056 610 T CA 0.161 62.278 62.100 0.029 0.000 1.137 610 T CB 0.219 69.154 68.868 0.112 0.000 0.976 610 T HN 0.024 nan 8.240 nan 0.000 0.547 611 Y N 2.125 122.478 120.300 0.088 0.000 2.359 611 Y HA 0.283 4.832 4.550 -0.001 0.000 0.330 611 Y C 1.008 176.892 175.900 -0.027 0.000 1.143 611 Y CA -0.626 57.489 58.100 0.025 0.000 1.318 611 Y CB 0.333 38.840 38.460 0.079 0.000 1.234 611 Y HN 0.539 nan 8.280 nan 0.000 0.522 612 I N 5.711 126.197 120.570 -0.140 0.000 2.815 612 I HA -0.096 4.074 4.170 -0.001 0.000 0.291 612 I C -0.160 175.915 176.117 -0.070 0.000 1.209 612 I CA 0.438 61.457 61.300 -0.469 0.000 1.431 612 I CB -0.026 37.388 38.000 -0.977 0.000 1.351 612 I HN 0.881 nan 8.210 nan 0.000 0.585 613 N N 5.589 124.255 118.700 -0.057 0.000 2.972 613 N HA 0.388 5.127 4.740 -0.001 0.000 0.262 613 N C -2.757 172.728 175.510 -0.042 0.000 1.478 613 N CA -1.448 51.628 53.050 0.044 0.000 0.841 613 N CB 1.195 39.782 38.487 0.167 0.000 1.512 613 N HN 0.121 nan 8.380 nan 0.000 0.548 614 P HA 0.048 nan 4.420 nan 0.000 0.223 614 P C 0.206 177.166 177.300 -0.566 0.000 1.144 614 P CA 1.190 64.023 63.100 -0.446 0.000 0.783 614 P CB -0.132 31.122 31.700 -0.744 0.000 0.771 615 F N -1.738 118.264 119.950 0.087 0.000 2.664 615 F HA 0.093 4.619 4.527 -0.001 0.000 0.303 615 F C 1.358 177.198 175.800 0.067 0.000 1.092 615 F CA -0.562 57.485 58.000 0.078 0.000 1.305 615 F CB -0.886 38.159 39.000 0.075 0.000 1.054 615 F HN -0.239 nan 8.300 nan 0.000 0.565 616 V N -1.003 118.983 119.914 0.119 0.000 3.214 616 V HA 0.689 4.809 4.120 -0.001 0.000 0.306 616 V C 0.254 176.346 176.094 -0.004 0.000 1.078 616 V CA -0.801 61.548 62.300 0.081 0.000 1.077 616 V CB 1.320 33.153 31.823 0.016 0.000 1.121 616 V HN 0.171 nan 8.190 nan 0.000 0.468 617 S N 0.789 116.477 115.700 -0.020 0.000 2.521 617 S HA 0.742 5.211 4.470 -0.001 0.000 0.295 617 S C -1.065 173.491 174.600 -0.074 0.000 1.098 617 S CA -0.535 57.666 58.200 0.001 0.000 0.999 617 S CB 1.106 64.352 63.200 0.077 0.000 1.034 617 S HN 0.575 nan 8.310 nan 0.000 0.483 618 F N 2.607 122.667 119.950 0.183 0.000 2.411 618 F HA 0.412 4.939 4.527 -0.001 0.000 0.355 618 F C 1.283 177.162 175.800 0.133 0.000 1.117 618 F CA -1.210 56.908 58.000 0.196 0.000 1.139 618 F CB 1.202 40.325 39.000 0.205 0.000 1.120 618 F HN 0.695 nan 8.300 nan 0.000 0.493 619 I N -0.522 120.203 120.570 0.259 0.000 3.904 619 I HA 0.313 4.482 4.170 -0.001 0.000 0.333 619 I C -0.327 175.881 176.117 0.150 0.000 1.361 619 I CA 0.037 61.434 61.300 0.161 0.000 1.116 619 I CB -0.077 37.978 38.000 0.092 0.000 1.028 619 I HN 0.574 nan 8.210 nan 0.000 0.398 620 D N -0.461 120.059 120.400 0.199 0.000 3.478 620 D HA -0.080 4.559 4.640 -0.001 0.000 0.329 620 D C 0.730 177.126 176.300 0.160 0.000 1.124 620 D CA -0.010 54.079 54.000 0.148 0.000 0.888 620 D CB -0.810 40.056 40.800 0.110 0.000 1.789 620 D HN 0.320 nan 8.370 nan 0.000 0.318 621 Q N -0.470 119.458 119.800 0.213 0.000 2.217 621 Q HA -0.366 3.973 4.340 -0.001 0.000 0.170 621 Q C 0.786 176.883 176.000 0.162 0.000 0.597 621 Q CA 1.964 57.849 55.803 0.136 0.000 1.426 621 Q CB -0.684 28.100 28.738 0.076 0.000 1.504 621 Q HN 0.512 nan 8.270 nan 0.000 0.860 622 R N -0.353 120.274 120.500 0.212 0.000 2.509 622 R HA 0.275 4.615 4.340 -0.001 0.000 0.297 622 R C -0.425 176.031 176.300 0.260 0.000 0.951 622 R CA -0.019 56.203 56.100 0.204 0.000 1.103 622 R CB 0.729 31.107 30.300 0.131 0.000 1.283 622 R HN 0.021 nan 8.270 nan 0.000 0.534 623 R N 0.716 121.409 120.500 0.322 0.000 2.651 623 R HA 0.308 4.647 4.340 -0.001 0.000 0.278 623 R C -1.560 174.963 176.300 0.371 0.000 1.010 623 R CA -0.780 55.483 56.100 0.272 0.000 0.896 623 R CB 1.649 32.017 30.300 0.113 0.000 1.211 623 R HN 0.084 nan 8.270 nan 0.000 0.456 624 W N 1.786 123.096 121.300 0.017 0.000 2.819 624 W HA 0.552 5.211 4.660 -0.001 0.000 0.337 624 W C -1.274 175.162 176.519 -0.139 0.000 1.077 624 W CA -1.108 56.118 57.345 -0.198 0.000 1.226 624 W CB 0.917 30.083 29.460 -0.490 0.000 1.419 624 W HN 0.390 nan 8.180 nan 0.000 0.502 625 K N 2.790 123.158 120.400 -0.054 0.000 2.211 625 K HA 0.377 4.697 4.320 -0.001 0.000 0.275 625 K C -0.320 176.263 176.600 -0.027 0.000 1.024 625 K CA -0.379 55.831 56.287 -0.128 0.000 0.887 625 K CB 1.427 33.920 32.500 -0.012 0.000 1.084 625 K HN 0.662 nan 8.250 nan 0.000 0.463 626 C N 5.174 124.353 119.300 -0.202 0.000 2.634 626 C HA 0.089 4.548 4.460 -0.001 0.000 0.418 626 C C 1.550 176.561 174.990 0.035 0.000 1.373 626 C CA -0.440 58.559 59.018 -0.032 0.000 1.756 626 C CB -0.728 26.897 27.740 -0.192 0.000 2.589 626 C HN 1.040 nan 8.230 nan 0.000 0.602 627 N N 3.997 122.756 118.700 0.098 0.000 2.398 627 N HA -0.033 4.706 4.740 -0.001 0.000 0.188 627 N C 0.689 176.107 175.510 -0.153 0.000 1.122 627 N CA 0.462 53.553 53.050 0.070 0.000 0.866 627 N CB -0.013 38.566 38.487 0.154 0.000 0.970 627 N HN 0.634 nan 8.380 nan 0.000 0.462 628 L N 0.123 121.193 121.223 -0.255 0.000 2.467 628 L HA 0.190 4.529 4.340 -0.001 0.000 0.213 628 L C 2.013 178.523 176.870 -0.601 0.000 1.053 628 L CA 0.622 55.248 54.840 -0.356 0.000 0.847 628 L CB 0.065 42.029 42.059 -0.159 0.000 1.075 628 L HN 0.471 nan 8.230 nan 0.000 0.479 629 C N -4.362 114.611 119.300 -0.545 0.000 3.491 629 C HA 0.350 4.809 4.460 -0.001 0.000 0.298 629 C C 0.721 175.488 174.990 -0.373 0.000 1.424 629 C CA -0.565 58.170 59.018 -0.472 0.000 1.772 629 C CB -0.562 27.046 27.740 -0.220 0.000 2.447 629 C HN 0.556 nan 8.230 nan 0.000 0.670 630 Y N -0.606 119.651 120.300 -0.072 0.000 4.798 630 Y HA -0.175 4.374 4.550 -0.001 0.000 0.237 630 Y C 0.741 176.567 175.900 -0.123 0.000 1.017 630 Y CA 0.708 58.758 58.100 -0.083 0.000 2.010 630 Y CB -2.457 35.967 38.460 -0.060 0.000 1.582 630 Y HN 0.407 nan 8.280 nan 0.000 0.621 631 R N 0.381 120.833 120.500 -0.080 0.000 2.490 631 R HA 0.567 4.907 4.340 -0.001 0.000 0.280 631 R C -0.104 176.039 176.300 -0.262 0.000 1.077 631 R CA -0.473 55.541 56.100 -0.144 0.000 1.065 631 R CB 0.643 30.841 30.300 -0.170 0.000 1.003 631 R HN 0.033 nan 8.270 nan 0.000 0.470 632 V N 4.337 124.112 119.914 -0.232 0.000 2.583 632 V HA 0.262 4.381 4.120 -0.001 0.000 0.287 632 V C 0.260 176.109 176.094 -0.409 0.000 1.051 632 V CA -0.309 61.812 62.300 -0.299 0.000 1.010 632 V CB 0.940 32.666 31.823 -0.161 0.000 0.988 632 V HN 0.702 nan 8.190 nan 0.000 0.478 633 N N 2.178 120.485 118.700 -0.655 0.000 2.265 633 N HA 0.388 5.128 4.740 -0.001 0.000 0.300 633 N C -1.403 173.908 175.510 -0.332 0.000 1.148 633 N CA -0.755 51.914 53.050 -0.635 0.000 0.772 633 N CB 2.272 40.050 38.487 -1.183 0.000 1.434 633 N HN 0.589 nan 8.380 nan 0.000 0.481 634 D N 0.777 121.128 120.400 -0.083 0.000 2.255 634 D HA 0.181 4.821 4.640 -0.001 0.000 0.249 634 D C -0.058 176.382 176.300 0.233 0.000 1.078 634 D CA -0.108 53.937 54.000 0.075 0.000 0.896 634 D CB 1.932 42.763 40.800 0.052 0.000 1.194 634 D HN 0.044 nan 8.370 nan 0.000 0.429 635 V N 4.554 124.643 119.914 0.291 0.000 2.432 635 V HA 0.183 4.303 4.120 -0.001 0.000 0.271 635 V C -1.696 174.519 176.094 0.202 0.000 1.046 635 V CA -1.268 61.211 62.300 0.298 0.000 0.945 635 V CB 0.962 33.011 31.823 0.376 0.000 0.992 635 V HN 0.434 nan 8.190 nan 0.000 0.471 636 P HA 0.098 nan 4.420 nan 0.000 0.269 636 P C 0.535 177.940 177.300 0.175 0.000 1.209 636 P CA -0.103 63.083 63.100 0.145 0.000 0.776 636 P CB 1.419 33.192 31.700 0.121 0.000 0.876 637 E N 1.785 122.059 120.200 0.123 0.000 2.097 637 E HA -0.245 4.104 4.350 -0.001 0.000 0.196 637 E C 1.812 178.475 176.600 0.104 0.000 1.000 637 E CA 1.672 58.133 56.400 0.101 0.000 0.804 637 E CB -0.456 29.285 29.700 0.068 0.000 0.740 637 E HN 0.584 nan 8.360 nan 0.000 0.454 638 E N -0.995 119.272 120.200 0.112 0.000 2.118 638 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 638 E C 1.694 178.367 176.600 0.122 0.000 0.992 638 E CA 0.948 57.407 56.400 0.099 0.000 0.804 638 E CB -0.311 29.451 29.700 0.103 0.000 0.741 638 E HN 0.362 nan 8.360 nan 0.000 0.458 639 F N 0.669 120.634 119.950 0.025 0.000 2.583 639 F HA -0.025 4.501 4.527 -0.001 0.000 0.297 639 F C 0.916 176.710 175.800 -0.012 0.000 1.131 639 F CA 0.797 58.808 58.000 0.017 0.000 1.467 639 F CB 0.150 39.171 39.000 0.034 0.000 1.097 639 F HN -0.059 nan 8.300 nan 0.000 0.586 651 P HA -0.202 nan 4.420 nan 0.000 0.225 651 P C 0.928 177.965 177.300 -0.437 0.000 1.148 651 P CA 1.286 64.139 63.100 -0.412 0.000 0.779 651 P CB -0.044 31.593 31.700 -0.105 0.000 0.780 652 H N -1.178 117.582 119.070 -0.517 0.000 2.547 652 H HA 0.152 4.708 4.556 -0.001 0.000 0.272 652 H C 1.667 176.950 175.328 -0.074 0.000 0.989 652 H CA 0.753 56.651 56.048 -0.249 0.000 1.214 652 H CB -0.435 29.184 29.762 -0.239 0.000 1.389 652 H HN -0.012 nan 8.280 nan 0.000 0.577 653 K N 0.615 120.840 120.400 -0.290 0.000 2.387 653 K HA 0.163 4.482 4.320 -0.001 0.000 0.198 653 K C 0.157 176.659 176.600 -0.163 0.000 1.022 653 K CA -0.273 55.927 56.287 -0.144 0.000 1.128 653 K CB 0.141 32.523 32.500 -0.197 0.000 0.853 653 K HN 0.074 nan 8.250 nan 0.000 0.523 654 R N 0.459 120.828 120.500 -0.219 0.000 2.643 654 R HA 0.103 4.442 4.340 -0.001 0.000 0.270 654 R C -1.875 174.361 176.300 -0.108 0.000 1.061 654 R CA -1.318 54.613 56.100 -0.282 0.000 1.107 654 R CB 0.373 30.301 30.300 -0.620 0.000 0.999 654 R HN -0.011 nan 8.270 nan 0.000 0.460 655 P HA -0.175 nan 4.420 nan 0.000 0.216 655 P C 0.133 177.419 177.300 -0.023 0.000 1.153 655 P CA 1.431 64.494 63.100 -0.063 0.000 0.858 655 P CB 0.215 31.866 31.700 -0.082 0.000 0.789 656 E N -1.075 119.156 120.200 0.052 0.000 2.209 656 E HA -0.103 4.246 4.350 -0.001 0.000 0.196 656 E C 1.526 178.191 176.600 0.108 0.000 0.993 656 E CA 0.939 57.415 56.400 0.127 0.000 0.819 656 E CB -0.665 29.252 29.700 0.362 0.000 0.745 656 E HN 0.138 nan 8.360 nan 0.000 0.477 657 V N 0.445 120.431 119.914 0.120 0.000 3.621 657 V HA 0.031 4.151 4.120 -0.001 0.000 0.285 657 V C 1.115 177.217 176.094 0.012 0.000 1.346 657 V CA 0.444 62.801 62.300 0.095 0.000 1.104 657 V CB 0.204 32.179 31.823 0.253 0.000 0.913 657 V HN 0.145 nan 8.190 nan 0.000 0.432 658 Q N 0.369 120.166 119.800 -0.005 0.000 2.217 658 Q HA 0.337 4.676 4.340 -0.001 0.000 0.217 658 Q C -0.232 175.748 176.000 -0.034 0.000 0.844 658 Q CA 0.182 55.971 55.803 -0.024 0.000 0.957 658 Q CB 0.838 29.567 28.738 -0.015 0.000 1.127 658 Q HN 0.593 nan 8.270 nan 0.000 0.503 659 N N -0.339 118.339 118.700 -0.037 0.000 2.369 659 N HA 0.098 4.837 4.740 -0.001 0.000 0.287 659 N C 0.047 175.558 175.510 0.001 0.000 1.067 659 N CA 0.041 53.081 53.050 -0.018 0.000 0.888 659 N CB 2.043 40.513 38.487 -0.029 0.000 1.616 659 N HN -0.090 nan 8.380 nan 0.000 0.482 660 S N -0.792 114.946 115.700 0.063 0.000 2.528 660 S HA 0.057 4.526 4.470 -0.001 0.000 0.219 660 S C 0.611 175.308 174.600 0.162 0.000 0.985 660 S CA 0.475 58.771 58.200 0.159 0.000 0.914 660 S CB 0.105 63.484 63.200 0.299 0.000 0.776 660 S HN 0.456 nan 8.310 nan 0.000 0.526 661 T N 2.671 117.283 114.554 0.097 0.000 2.847 661 T HA 0.661 5.011 4.350 -0.001 0.000 0.291 661 T C -0.562 174.086 174.700 -0.087 0.000 0.998 661 T CA -0.467 61.657 62.100 0.041 0.000 0.967 661 T CB 1.478 70.455 68.868 0.182 0.000 0.954 661 T HN 0.389 nan 8.240 nan 0.000 0.441 662 V N 0.933 120.718 119.914 -0.214 0.000 3.182 662 V HA 0.853 4.972 4.120 -0.001 0.000 0.308 662 V C -1.352 174.509 176.094 -0.387 0.000 1.240 662 V CA -1.137 60.977 62.300 -0.311 0.000 1.063 662 V CB 2.471 34.023 31.823 -0.452 0.000 1.076 662 V HN 0.774 nan 8.190 nan 0.000 0.446 663 E N 0.425 120.373 120.200 -0.419 0.000 2.274 663 E HA 0.588 4.937 4.350 -0.001 0.000 0.269 663 E C -2.064 174.320 176.600 -0.360 0.000 0.891 663 E CA -0.579 55.638 56.400 -0.305 0.000 0.784 663 E CB 1.840 31.480 29.700 -0.100 0.000 1.225 663 E HN 0.614 nan 8.360 nan 0.000 0.412 664 F N 3.518 123.388 119.950 -0.134 0.000 2.397 664 F HA 0.452 4.978 4.527 -0.001 0.000 0.331 664 F C 0.464 176.177 175.800 -0.145 0.000 1.090 664 F CA -0.678 57.248 58.000 -0.124 0.000 1.065 664 F CB 1.009 39.920 39.000 -0.147 0.000 1.184 664 F HN 0.338 nan 8.300 nan 0.000 0.499 665 I N 2.979 123.608 120.570 0.098 0.000 2.304 665 I HA 0.441 4.610 4.170 -0.001 0.000 0.291 665 I C 0.111 176.230 176.117 0.004 0.000 1.018 665 I CA -0.416 60.890 61.300 0.009 0.000 1.260 665 I CB 0.785 38.795 38.000 0.016 0.000 1.390 665 I HN 0.692 nan 8.210 nan 0.000 0.475 666 A N 4.966 127.744 122.820 -0.070 0.000 2.256 666 A HA 0.767 5.086 4.320 -0.001 0.000 0.318 666 A C -0.033 177.578 177.584 0.045 0.000 1.103 666 A CA -0.268 51.728 52.037 -0.067 0.000 0.860 666 A CB 1.623 20.442 19.000 -0.302 0.000 1.182 666 A HN 0.606 nan 8.150 nan 0.000 0.501 667 S N -1.390 114.395 115.700 0.142 0.000 2.855 667 S HA 0.412 4.881 4.470 -0.001 0.000 0.308 667 S C 1.496 176.176 174.600 0.134 0.000 1.077 667 S CA 0.332 58.600 58.200 0.114 0.000 0.896 667 S CB 0.794 64.048 63.200 0.090 0.000 1.339 667 S HN 0.738 nan 8.310 nan 0.000 0.602 668 S N 2.167 117.913 115.700 0.076 0.000 2.413 668 S HA -0.184 4.286 4.470 -0.001 0.000 0.237 668 S C 1.311 175.925 174.600 0.024 0.000 1.044 668 S CA 1.954 60.181 58.200 0.046 0.000 1.024 668 S CB -0.757 62.456 63.200 0.022 0.000 0.829 668 S HN 0.825 nan 8.310 nan 0.000 0.475 669 D N -0.444 119.961 120.400 0.009 0.000 2.378 669 D HA -0.132 4.507 4.640 -0.001 0.000 0.222 669 D C 0.481 176.597 176.300 -0.308 0.000 0.980 669 D CA 0.747 54.662 54.000 -0.142 0.000 0.907 669 D CB -0.335 40.348 40.800 -0.194 0.000 0.899 669 D HN 0.521 nan 8.370 nan 0.000 0.527 670 Y N 0.394 120.690 120.300 -0.008 0.000 2.660 670 Y HA 0.303 4.853 4.550 -0.001 0.000 0.254 670 Y C 0.564 176.462 175.900 -0.004 0.000 1.176 670 Y CA -0.638 57.459 58.100 -0.005 0.000 1.195 670 Y CB 0.199 38.657 38.460 -0.004 0.000 1.190 670 Y HN -0.073 nan 8.280 nan 0.000 0.535 671 M N -1.634 118.013 119.600 0.079 0.000 2.326 671 M HA 0.442 4.921 4.480 -0.001 0.000 0.292 671 M C -1.061 175.251 176.300 0.020 0.000 1.081 671 M CA -0.757 54.576 55.300 0.055 0.000 0.919 671 M CB 2.032 34.664 32.600 0.054 0.000 1.634 671 M HN -0.092 nan 8.290 nan 0.000 0.451 672 L N 1.886 123.121 121.223 0.020 0.000 2.529 672 L HA 0.346 4.686 4.340 -0.001 0.000 0.223 672 L C 0.717 177.592 176.870 0.007 0.000 1.113 672 L CA 0.719 55.563 54.840 0.007 0.000 0.861 672 L CB -0.432 41.633 42.059 0.010 0.000 1.012 672 L HN 0.860 nan 8.230 nan 0.000 0.461 673 R N -2.758 117.749 120.500 0.012 0.000 2.733 673 R HA 0.579 4.918 4.340 -0.001 0.000 0.272 673 R C -2.954 173.352 176.300 0.010 0.000 1.029 673 R CA -1.725 54.380 56.100 0.007 0.000 0.888 673 R CB -0.017 30.285 30.300 0.004 0.000 1.251 673 R HN -0.359 nan 8.270 nan 0.000 0.464 674 P HA 0.166 nan 4.420 nan 0.000 0.268 674 P C -2.442 174.861 177.300 0.005 0.000 1.205 674 P CA -0.937 62.166 63.100 0.005 0.000 0.771 674 P CB 0.028 31.727 31.700 -0.002 0.000 0.858 675 P HA -0.036 nan 4.420 nan 0.000 0.260 675 P C -0.294 177.002 177.300 -0.007 0.000 1.185 675 P CA 0.228 63.339 63.100 0.019 0.000 0.763 675 P CB 0.020 31.737 31.700 0.028 0.000 0.776 676 Q N 6.442 126.227 119.800 -0.025 0.000 2.395 676 Q HA 0.282 4.621 4.340 -0.001 0.000 0.271 676 Q C -2.164 173.741 176.000 -0.159 0.000 1.026 676 Q CA -1.516 54.231 55.803 -0.094 0.000 0.900 676 Q CB -0.248 28.414 28.738 -0.127 0.000 1.266 676 Q HN 0.323 nan 8.270 nan 0.000 0.430 677 P HA 0.136 nan 4.420 nan 0.000 0.276 677 P C -1.039 175.974 177.300 -0.478 0.000 1.261 677 P CA -0.477 62.494 63.100 -0.215 0.000 0.800 677 P CB 0.691 32.308 31.700 -0.138 0.000 1.066 678 A N 0.875 123.413 122.820 -0.469 0.000 2.450 678 A HA 0.427 4.746 4.320 -0.001 0.000 0.255 678 A C -0.158 176.987 177.584 -0.730 0.000 1.096 678 A CA -0.101 51.427 52.037 -0.848 0.000 0.778 678 A CB -0.372 18.482 19.000 -0.243 0.000 1.031 678 A HN 0.333 nan 8.150 nan 0.000 0.494 679 V N 3.601 122.959 119.914 -0.927 0.000 2.577 679 V HA 0.419 4.539 4.120 -0.001 0.000 0.303 679 V C -1.433 174.295 176.094 -0.609 0.000 1.042 679 V CA -0.377 61.583 62.300 -0.567 0.000 0.872 679 V CB 1.221 32.840 31.823 -0.340 0.000 0.998 679 V HN 0.759 nan 8.190 nan 0.000 0.423 680 Y N 4.916 125.205 120.300 -0.019 0.000 2.376 680 Y HA 0.779 5.328 4.550 -0.001 0.000 0.340 680 Y C -0.409 175.400 175.900 -0.153 0.000 0.965 680 Y CA -1.066 56.998 58.100 -0.061 0.000 1.078 680 Y CB 1.985 40.474 38.460 0.048 0.000 1.193 680 Y HN 0.534 nan 8.280 nan 0.000 0.452 681 L N 4.356 125.506 121.223 -0.123 0.000 2.381 681 L HA 0.662 5.002 4.340 -0.001 0.000 0.274 681 L C -1.981 174.713 176.870 -0.294 0.000 0.988 681 L CA -0.917 53.844 54.840 -0.132 0.000 0.824 681 L CB 0.709 42.764 42.059 -0.007 0.000 1.263 681 L HN 0.411 nan 8.230 nan 0.000 0.410 682 F N 4.921 124.880 119.950 0.015 0.000 2.411 682 F HA 0.575 5.101 4.527 -0.001 0.000 0.352 682 F C -0.050 175.912 175.800 0.270 0.000 1.123 682 F CA -0.687 57.422 58.000 0.181 0.000 1.044 682 F CB 1.834 40.933 39.000 0.165 0.000 1.135 682 F HN 0.109 nan 8.300 nan 0.000 0.461 683 V N 5.862 126.038 119.914 0.437 0.000 2.313 683 V HA 0.391 4.511 4.120 -0.001 0.000 0.278 683 V C -0.272 176.167 176.094 0.576 0.000 1.017 683 V CA -0.666 61.902 62.300 0.447 0.000 0.823 683 V CB 1.031 33.046 31.823 0.320 0.000 1.010 683 V HN 0.521 nan 8.190 nan 0.000 0.443 684 L N 3.421 124.930 121.223 0.476 0.000 2.313 684 L HA 0.578 4.917 4.340 -0.001 0.000 0.283 684 L C -0.125 176.547 176.870 -0.330 0.000 1.013 684 L CA -0.687 54.309 54.840 0.260 0.000 0.816 684 L CB 1.730 43.898 42.059 0.182 0.000 1.236 684 L HN 0.463 nan 8.230 nan 0.000 0.419 685 D N 2.963 123.094 120.400 -0.448 0.000 2.371 685 D HA 0.166 4.805 4.640 -0.001 0.000 0.256 685 D C 0.397 176.412 176.300 -0.475 0.000 1.193 685 D CA -0.148 53.283 54.000 -0.949 0.000 0.881 685 D CB 1.612 42.222 40.800 -0.317 0.000 1.143 685 D HN 0.339 nan 8.370 nan 0.000 0.473 686 V N 1.620 121.153 119.914 -0.635 0.000 2.988 686 V HA 0.277 4.396 4.120 -0.001 0.000 0.356 686 V C 0.560 176.437 176.094 -0.361 0.000 1.380 686 V CA -0.155 61.826 62.300 -0.533 0.000 1.184 686 V CB -0.828 30.367 31.823 -1.047 0.000 1.204 686 V HN 0.459 nan 8.190 nan 0.000 0.530 687 S N -0.735 114.830 115.700 -0.225 0.000 2.596 687 S HA 0.125 4.594 4.470 -0.001 0.000 0.260 687 S C 1.199 175.795 174.600 -0.006 0.000 1.336 687 S CA 0.504 58.666 58.200 -0.064 0.000 0.993 687 S CB 0.275 63.473 63.200 -0.004 0.000 0.923 687 S HN 0.602 nan 8.310 nan 0.000 0.567 688 H N 1.416 120.481 119.070 -0.009 0.000 2.352 688 H HA -0.174 4.381 4.556 -0.001 0.000 0.299 688 H C 2.094 177.438 175.328 0.027 0.000 1.097 688 H CA 2.173 58.230 56.048 0.015 0.000 1.311 688 H CB -0.481 29.295 29.762 0.023 0.000 1.377 688 H HN 0.821 nan 8.280 nan 0.000 0.504 689 N N 0.597 119.386 118.700 0.149 0.000 2.069 689 N HA -0.156 4.583 4.740 -0.001 0.000 0.191 689 N C 2.031 177.582 175.510 0.069 0.000 1.031 689 N CA 1.539 54.665 53.050 0.126 0.000 0.852 689 N CB -0.141 38.417 38.487 0.118 0.000 1.018 689 N HN 0.416 nan 8.380 nan 0.000 0.423 690 A N 0.797 123.644 122.820 0.044 0.000 1.902 690 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 690 A C 2.542 180.120 177.584 -0.011 0.000 1.181 690 A CA 1.333 53.424 52.037 0.090 0.000 0.623 690 A CB -0.748 18.307 19.000 0.092 0.000 0.818 690 A HN 0.206 nan 8.150 nan 0.000 0.443 691 V N 0.144 119.984 119.914 -0.123 0.000 2.343 691 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 691 V C 2.602 178.574 176.094 -0.202 0.000 1.051 691 V CA 2.386 64.569 62.300 -0.195 0.000 1.036 691 V CB -0.711 30.987 31.823 -0.209 0.000 0.654 691 V HN 0.734 nan 8.190 nan 0.000 0.451 692 E N 1.097 121.177 120.200 -0.200 0.000 2.110 692 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 692 E C 2.101 178.613 176.600 -0.147 0.000 0.988 692 E CA 1.662 57.995 56.400 -0.112 0.000 0.804 692 E CB -0.518 29.194 29.700 0.021 0.000 0.745 692 E HN 0.499 nan 8.360 nan 0.000 0.458 693 A N -0.002 122.794 122.820 -0.041 0.000 1.978 693 A HA 0.033 4.353 4.320 -0.001 0.000 0.220 693 A C 2.052 179.643 177.584 0.012 0.000 1.170 693 A CA 1.700 53.759 52.037 0.036 0.000 0.636 693 A CB -1.157 18.010 19.000 0.279 0.000 0.810 693 A HN 0.730 nan 8.150 nan 0.000 0.448 694 G N -1.894 106.873 108.800 -0.056 0.000 2.176 694 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.252 694 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.252 694 G C 0.475 175.419 174.900 0.073 0.000 1.024 694 G CA 1.052 46.091 45.100 -0.103 0.000 0.755 694 G HN 1.463 nan 8.290 nan 0.000 0.507 695 Y N -1.282 119.030 120.300 0.020 0.000 2.457 695 Y HA 0.408 4.957 4.550 -0.001 0.000 0.292 695 Y C 2.343 178.107 175.900 -0.226 0.000 1.125 695 Y CA 0.872 58.870 58.100 -0.169 0.000 1.254 695 Y CB -0.376 37.709 38.460 -0.624 0.000 1.012 695 Y HN 0.245 nan 8.280 nan 0.000 0.555 696 L N 0.453 121.061 121.223 -1.025 0.000 2.043 696 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 696 L C 2.411 179.016 176.870 -0.442 0.000 1.075 696 L CA 2.150 56.502 54.840 -0.814 0.000 0.752 696 L CB -0.938 40.695 42.059 -0.710 0.000 0.891 696 L HN 0.319 nan 8.230 nan 0.000 0.432 697 T N -0.023 114.313 114.554 -0.362 0.000 2.720 697 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 697 T C 1.939 176.541 174.700 -0.164 0.000 1.037 697 T CA 1.133 63.063 62.100 -0.283 0.000 1.144 697 T CB -0.070 68.566 68.868 -0.388 0.000 0.864 697 T HN 0.094 nan 8.240 nan 0.000 0.444 698 I N 0.929 121.461 120.570 -0.064 0.000 2.142 698 I HA -0.074 4.095 4.170 -0.001 0.000 0.240 698 I C 2.365 178.419 176.117 -0.105 0.000 1.078 698 I CA 1.069 62.374 61.300 0.008 0.000 1.343 698 I CB -1.336 36.745 38.000 0.135 0.000 1.046 698 I HN 0.228 nan 8.210 nan 0.000 0.405 699 L N 0.906 122.009 121.223 -0.201 0.000 2.017 699 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 699 L C 2.668 179.357 176.870 -0.303 0.000 1.073 699 L CA 1.934 56.587 54.840 -0.312 0.000 0.745 699 L CB -0.840 40.888 42.059 -0.551 0.000 0.894 699 L HN 0.226 nan 8.230 nan 0.000 0.432 700 C N -0.783 118.332 119.300 -0.308 0.000 2.425 700 C HA -0.131 4.329 4.460 -0.001 0.000 0.277 700 C C 2.754 177.617 174.990 -0.212 0.000 1.280 700 C CA 0.911 59.754 59.018 -0.291 0.000 1.744 700 C CB -0.848 26.708 27.740 -0.307 0.000 1.989 700 C HN 0.697 nan 8.230 nan 0.000 0.491 701 Q N 1.303 121.003 119.800 -0.167 0.000 2.084 701 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 701 Q C 2.364 178.308 176.000 -0.094 0.000 0.978 701 Q CA 2.260 57.995 55.803 -0.114 0.000 0.844 701 Q CB -0.636 28.055 28.738 -0.078 0.000 0.898 701 Q HN 0.579 nan 8.270 nan 0.000 0.426 702 S N -0.986 114.657 115.700 -0.095 0.000 2.368 702 S HA -0.061 4.408 4.470 -0.001 0.000 0.225 702 S C 1.822 176.374 174.600 -0.079 0.000 1.030 702 S CA 1.070 59.230 58.200 -0.067 0.000 0.999 702 S CB -0.281 62.886 63.200 -0.055 0.000 0.844 702 S HN 0.491 nan 8.310 nan 0.000 0.459 703 L N 0.804 121.945 121.223 -0.136 0.000 2.083 703 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 703 L C 2.426 179.242 176.870 -0.090 0.000 1.083 703 L CA 0.996 55.752 54.840 -0.141 0.000 0.752 703 L CB -0.406 41.507 42.059 -0.243 0.000 0.899 703 L HN 0.354 nan 8.230 nan 0.000 0.433 704 L N -0.555 120.608 121.223 -0.101 0.000 2.017 704 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 704 L C 2.515 179.359 176.870 -0.044 0.000 1.073 704 L CA 1.459 56.254 54.840 -0.075 0.000 0.745 704 L CB -0.456 41.548 42.059 -0.091 0.000 0.894 704 L HN 0.290 nan 8.230 nan 0.000 0.432 705 E N -0.188 119.986 120.200 -0.042 0.000 2.204 705 E HA -0.146 4.203 4.350 -0.001 0.000 0.195 705 E C 0.971 177.566 176.600 -0.010 0.000 0.990 705 E CA 0.816 57.203 56.400 -0.023 0.000 0.821 705 E CB -0.041 29.648 29.700 -0.020 0.000 0.750 705 E HN 0.509 nan 8.360 nan 0.000 0.477 706 N N 0.392 119.085 118.700 -0.012 0.000 2.204 706 N HA 0.027 4.766 4.740 -0.001 0.000 0.219 706 N C 1.173 176.687 175.510 0.006 0.000 1.151 706 N CA -0.016 53.034 53.050 0.001 0.000 0.867 706 N CB 0.655 39.144 38.487 0.003 0.000 1.043 706 N HN 0.062 nan 8.380 nan 0.000 0.516 707 L N 1.485 122.712 121.223 0.007 0.000 2.081 707 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 707 L C 0.970 177.874 176.870 0.056 0.000 1.080 707 L CA 1.874 56.732 54.840 0.030 0.000 0.754 707 L CB -0.133 41.943 42.059 0.028 0.000 0.893 707 L HN 0.035 nan 8.230 nan 0.000 0.433 708 D N -1.351 119.079 120.400 0.051 0.000 2.340 708 D HA 0.012 4.651 4.640 -0.001 0.000 0.217 708 D C 1.356 177.692 176.300 0.060 0.000 1.081 708 D CA 0.289 54.329 54.000 0.067 0.000 0.842 708 D CB 0.256 41.093 40.800 0.061 0.000 0.934 708 D HN 0.408 nan 8.370 nan 0.000 0.511 709 K N 0.108 120.536 120.400 0.047 0.000 2.374 709 K HA 0.221 4.540 4.320 -0.001 0.000 0.202 709 K C 0.504 177.130 176.600 0.043 0.000 1.040 709 K CA -0.132 56.180 56.287 0.043 0.000 1.085 709 K CB 1.124 33.642 32.500 0.030 0.000 0.873 709 K HN -0.007 nan 8.250 nan 0.000 0.539 710 L N 3.172 124.420 121.223 0.042 0.000 2.455 710 L HA 0.144 4.483 4.340 -0.001 0.000 0.272 710 L C -2.175 174.774 176.870 0.132 0.000 1.174 710 L CA -1.925 52.926 54.840 0.018 0.000 0.869 710 L CB -0.337 41.698 42.059 -0.040 0.000 1.130 710 L HN -0.213 nan 8.230 nan 0.000 0.474 711 P HA 0.237 nan 4.420 nan 0.000 0.265 711 P C 0.187 177.698 177.300 0.352 0.000 1.193 711 P CA 0.245 63.490 63.100 0.241 0.000 0.765 711 P CB 0.825 32.672 31.700 0.244 0.000 0.823 712 G N 1.767 110.723 108.800 0.261 0.000 2.369 712 G HA2 0.368 4.327 3.960 -0.001 0.000 0.293 712 G HA3 0.368 4.327 3.960 -0.001 0.000 0.293 712 G C -1.825 173.164 174.900 0.148 0.000 1.301 712 G CA -0.407 44.832 45.100 0.232 0.000 0.913 712 G HN 0.586 nan 8.290 nan 0.000 0.540 713 D N -2.355 118.110 120.400 0.108 0.000 2.846 713 D HA 0.584 5.223 4.640 -0.001 0.000 0.273 713 D C 1.747 178.077 176.300 0.049 0.000 1.145 713 D CA 0.709 54.748 54.000 0.065 0.000 1.091 713 D CB 0.154 40.981 40.800 0.046 0.000 1.364 713 D HN 1.028 nan 8.370 nan 0.000 0.613 714 S N -1.212 114.491 115.700 0.006 0.000 2.469 714 S HA -0.153 4.316 4.470 -0.001 0.000 0.238 714 S C 1.333 175.956 174.600 0.038 0.000 0.998 714 S CA 0.539 58.731 58.200 -0.013 0.000 0.957 714 S CB -0.545 62.604 63.200 -0.085 0.000 0.764 714 S HN 0.438 nan 8.310 nan 0.000 0.514 715 R N 0.912 121.430 120.500 0.030 0.000 2.310 715 R HA 0.149 4.488 4.340 -0.001 0.000 0.202 715 R C 0.032 176.342 176.300 0.018 0.000 0.933 715 R CA 0.224 56.337 56.100 0.021 0.000 1.054 715 R CB -0.317 29.981 30.300 -0.004 0.000 0.985 715 R HN 0.305 nan 8.270 nan 0.000 0.489 716 T N 2.257 116.839 114.554 0.047 0.000 2.905 716 T HA 0.026 4.375 4.350 -0.001 0.000 0.299 716 T C 0.342 175.081 174.700 0.065 0.000 1.024 716 T CA 0.711 62.844 62.100 0.054 0.000 1.151 716 T CB 0.476 69.438 68.868 0.158 0.000 0.987 716 T HN 0.170 nan 8.240 nan 0.000 0.535 717 R N 2.023 122.531 120.500 0.012 0.000 2.803 717 R HA 0.822 5.162 4.340 -0.001 0.000 0.276 717 R C -0.668 175.676 176.300 0.073 0.000 0.978 717 R CA -0.875 55.247 56.100 0.036 0.000 0.939 717 R CB 2.193 32.483 30.300 -0.017 0.000 1.179 717 R HN 0.581 nan 8.270 nan 0.000 0.472 718 I N -0.024 120.607 120.570 0.103 0.000 2.913 718 I HA 0.697 4.867 4.170 -0.001 0.000 0.302 718 I C -1.206 174.928 176.117 0.028 0.000 1.246 718 I CA -0.442 60.919 61.300 0.102 0.000 1.010 718 I CB 2.501 40.609 38.000 0.180 0.000 1.259 718 I HN 0.761 nan 8.210 nan 0.000 0.434 719 G N 4.280 113.008 108.800 -0.120 0.000 2.695 719 G HA2 0.724 4.683 3.960 -0.001 0.000 0.290 719 G HA3 0.724 4.683 3.960 -0.001 0.000 0.290 719 G C -2.159 172.543 174.900 -0.330 0.000 1.410 719 G CA -0.463 44.604 45.100 -0.055 0.000 0.844 719 G HN 0.384 nan 8.290 nan 0.000 0.478 720 F N -0.472 119.675 119.950 0.328 0.000 2.588 720 F HA 0.779 5.305 4.527 -0.001 0.000 0.310 720 F C 0.214 176.284 175.800 0.450 0.000 1.082 720 F CA -0.691 57.512 58.000 0.339 0.000 0.929 720 F CB 2.824 41.914 39.000 0.149 0.000 1.254 720 F HN 0.167 nan 8.300 nan 0.000 0.455 721 M N 1.885 121.826 119.600 0.569 0.000 2.433 721 M HA 0.550 5.029 4.480 -0.001 0.000 0.290 721 M C -0.990 175.571 176.300 0.435 0.000 1.173 721 M CA -0.575 54.981 55.300 0.427 0.000 0.905 721 M CB 3.056 35.767 32.600 0.185 0.000 1.692 721 M HN 0.727 nan 8.290 nan 0.000 0.462 722 T N -0.511 114.272 114.554 0.380 0.000 2.916 722 T HA 0.940 5.290 4.350 -0.001 0.000 0.292 722 T C -0.945 173.672 174.700 -0.138 0.000 1.064 722 T CA -0.755 61.457 62.100 0.187 0.000 1.011 722 T CB 1.889 70.936 68.868 0.300 0.000 1.152 722 T HN 0.613 nan 8.240 nan 0.000 0.510 723 F N -0.425 119.283 119.950 -0.404 0.000 2.665 723 F HA 0.766 5.292 4.527 -0.001 0.000 0.308 723 F C -0.991 174.621 175.800 -0.314 0.000 1.112 723 F CA -1.022 56.643 58.000 -0.558 0.000 0.972 723 F CB 1.006 39.824 39.000 -0.303 0.000 1.295 723 F HN 0.734 nan 8.300 nan 0.000 0.440 724 D N 0.185 120.522 120.400 -0.105 0.000 3.208 724 D HA 0.170 4.810 4.640 -0.001 0.000 0.138 724 D C 1.197 177.583 176.300 0.143 0.000 1.289 724 D CA 0.693 54.706 54.000 0.022 0.000 1.530 724 D CB -0.581 40.239 40.800 0.034 0.000 1.601 724 D HN 0.440 nan 8.370 nan 0.000 0.238 725 S N -0.907 114.888 115.700 0.159 0.000 2.496 725 S HA 0.176 4.646 4.470 -0.001 0.000 0.224 725 S C 0.840 175.493 174.600 0.089 0.000 0.996 725 S CA 0.812 59.086 58.200 0.124 0.000 0.927 725 S CB -0.982 62.301 63.200 0.140 0.000 0.774 725 S HN 0.746 nan 8.310 nan 0.000 0.524 726 T N -0.413 114.220 114.554 0.131 0.000 2.907 726 T HA 0.727 5.076 4.350 -0.001 0.000 0.290 726 T C -0.606 174.082 174.700 -0.020 0.000 1.066 726 T CA -1.077 61.098 62.100 0.125 0.000 1.012 726 T CB 1.120 70.130 68.868 0.237 0.000 1.184 726 T HN 0.027 nan 8.240 nan 0.000 0.522 727 I N 1.897 122.463 120.570 -0.007 0.000 2.359 727 I HA 0.353 4.523 4.170 -0.001 0.000 0.294 727 I C -0.151 175.902 176.117 -0.107 0.000 0.987 727 I CA -0.742 60.446 61.300 -0.187 0.000 1.225 727 I CB 0.654 38.559 38.000 -0.159 0.000 1.366 727 I HN 0.813 nan 8.210 nan 0.000 0.466 728 H N 5.796 124.742 119.070 -0.208 0.000 2.505 728 H HA 0.561 5.116 4.556 -0.001 0.000 0.338 728 H C -1.067 173.994 175.328 -0.446 0.000 1.057 728 H CA -0.579 55.325 56.048 -0.241 0.000 1.202 728 H CB 1.477 31.176 29.762 -0.104 0.000 1.466 728 H HN 0.308 nan 8.280 nan 0.000 0.499 729 F N 1.358 121.265 119.950 -0.071 0.000 2.523 729 F HA 0.382 4.908 4.527 -0.001 0.000 0.329 729 F C -0.611 175.000 175.800 -0.315 0.000 1.061 729 F CA -0.835 57.141 58.000 -0.039 0.000 0.967 729 F CB 1.219 40.245 39.000 0.044 0.000 1.218 729 F HN 0.455 nan 8.300 nan 0.000 0.480 730 Y N 0.928 121.462 120.300 0.391 0.000 2.332 730 Y HA 0.246 4.796 4.550 -0.001 0.000 0.326 730 Y C -0.146 175.892 175.900 0.230 0.000 0.978 730 Y CA -1.178 57.085 58.100 0.272 0.000 1.205 730 Y CB 1.073 39.688 38.460 0.259 0.000 1.131 730 Y HN 0.428 nan 8.280 nan 0.000 0.462 731 N N 4.399 123.254 118.700 0.258 0.000 2.420 731 N HA 0.176 4.915 4.740 -0.001 0.000 0.262 731 N C -0.487 175.132 175.510 0.182 0.000 1.144 731 N CA 0.337 53.496 53.050 0.181 0.000 0.952 731 N CB 0.643 39.198 38.487 0.113 0.000 1.081 731 N HN 0.830 nan 8.380 nan 0.000 0.480 732 L N 3.162 124.489 121.223 0.173 0.000 3.202 732 L HA 0.153 4.493 4.340 -0.001 0.000 0.278 732 L C 0.708 177.639 176.870 0.101 0.000 1.268 732 L CA -0.431 54.496 54.840 0.144 0.000 1.034 732 L CB 0.086 42.257 42.059 0.186 0.000 1.407 732 L HN 0.546 nan 8.230 nan 0.000 0.581 733 Q N 0.171 120.021 119.800 0.084 0.000 2.386 733 Q HA 0.057 4.397 4.340 -0.001 0.000 0.282 733 Q C 0.042 176.068 176.000 0.042 0.000 1.050 733 Q CA -0.275 55.563 55.803 0.059 0.000 0.918 733 Q CB 0.832 29.599 28.738 0.048 0.000 1.266 733 Q HN 0.060 nan 8.270 nan 0.000 0.423 734 E N 0.900 121.120 120.200 0.032 0.000 2.442 734 E HA 0.193 4.542 4.350 -0.001 0.000 0.262 734 E C 0.761 177.370 176.600 0.015 0.000 1.004 734 E CA 1.769 58.179 56.400 0.017 0.000 0.928 734 E CB 0.119 29.826 29.700 0.013 0.000 0.937 734 E HN 0.832 nan 8.360 nan 0.000 0.446 735 G N 3.245 112.049 108.800 0.007 0.000 2.284 735 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.216 735 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.216 735 G C 0.085 174.990 174.900 0.007 0.000 1.009 735 G CA -0.003 45.101 45.100 0.007 0.000 0.625 735 G HN 0.479 nan 8.290 nan 0.000 0.501 736 L N 1.888 123.119 121.223 0.013 0.000 2.436 736 L HA 0.451 4.790 4.340 -0.001 0.000 0.265 736 L C 2.026 178.900 176.870 0.006 0.000 1.168 736 L CA 0.382 55.231 54.840 0.015 0.000 0.815 736 L CB 1.418 43.494 42.059 0.029 0.000 1.109 736 L HN 0.392 nan 8.230 nan 0.000 0.462 737 S N 0.295 115.996 115.700 0.003 0.000 2.503 737 S HA 0.070 4.539 4.470 -0.001 0.000 0.215 737 S C 0.208 174.804 174.600 -0.007 0.000 1.003 737 S CA -0.353 57.843 58.200 -0.005 0.000 0.910 737 S CB 0.184 63.379 63.200 -0.008 0.000 0.790 737 S HN 0.732 nan 8.310 nan 0.000 0.514 738 Q N -0.291 119.510 119.800 0.003 0.000 2.472 738 Q HA 0.589 4.929 4.340 -0.001 0.000 0.281 738 Q C -3.545 172.472 176.000 0.028 0.000 0.997 738 Q CA -2.222 53.583 55.803 0.003 0.000 0.828 738 Q CB 0.599 29.333 28.738 -0.007 0.000 1.443 738 Q HN -0.071 nan 8.270 nan 0.000 0.390 739 P HA -0.045 nan 4.420 nan 0.000 0.268 739 P C -1.364 176.006 177.300 0.116 0.000 1.205 739 P CA 0.015 63.175 63.100 0.101 0.000 0.771 739 P CB 0.475 32.242 31.700 0.113 0.000 0.858 740 Q N 3.190 123.071 119.800 0.135 0.000 2.368 740 Q HA 0.400 4.739 4.340 -0.001 0.000 0.263 740 Q C -0.846 175.214 176.000 0.100 0.000 1.009 740 Q CA -0.586 55.274 55.803 0.095 0.000 0.818 740 Q CB 0.646 29.424 28.738 0.066 0.000 1.239 740 Q HN 0.426 nan 8.270 nan 0.000 0.464 741 M N 5.653 125.284 119.600 0.051 0.000 2.162 741 M HA 0.326 4.805 4.480 -0.001 0.000 0.356 741 M C -1.695 174.558 176.300 -0.078 0.000 1.303 741 M CA -0.260 54.966 55.300 -0.124 0.000 1.116 741 M CB 0.426 32.969 32.600 -0.094 0.000 1.632 741 M HN 0.644 nan 8.290 nan 0.000 0.469 742 L N 6.940 128.125 121.223 -0.064 0.000 2.313 742 L HA 0.565 4.904 4.340 -0.001 0.000 0.283 742 L C -0.832 176.112 176.870 0.123 0.000 1.013 742 L CA -0.572 54.311 54.840 0.072 0.000 0.816 742 L CB 1.675 43.830 42.059 0.160 0.000 1.236 742 L HN 0.710 nan 8.230 nan 0.000 0.419 743 I N 4.346 124.985 120.570 0.115 0.000 2.406 743 I HA 0.568 4.738 4.170 -0.001 0.000 0.290 743 I C -0.419 175.810 176.117 0.185 0.000 0.999 743 I CA -0.857 60.538 61.300 0.158 0.000 1.124 743 I CB 2.061 40.105 38.000 0.073 0.000 1.289 743 I HN 0.348 nan 8.210 nan 0.000 0.441 744 V N 1.817 121.867 119.914 0.226 0.000 3.114 744 V HA 0.578 4.697 4.120 -0.001 0.000 0.308 744 V C 0.204 176.393 176.094 0.159 0.000 1.168 744 V CA -0.359 62.060 62.300 0.197 0.000 1.015 744 V CB 1.797 33.771 31.823 0.252 0.000 1.050 744 V HN 0.783 nan 8.190 nan 0.000 0.433 745 S N -0.239 115.535 115.700 0.123 0.000 2.506 745 S HA 0.208 4.678 4.470 -0.001 0.000 0.219 745 S C 0.341 174.990 174.600 0.081 0.000 1.031 745 S CA 0.757 59.010 58.200 0.089 0.000 0.911 745 S CB -0.008 63.234 63.200 0.070 0.000 0.812 745 S HN 1.001 nan 8.310 nan 0.000 0.497 746 D N 2.047 122.505 120.400 0.098 0.000 2.427 746 D HA 0.320 4.959 4.640 -0.001 0.000 0.226 746 D C 1.134 177.504 176.300 0.117 0.000 1.076 746 D CA -0.820 53.231 54.000 0.086 0.000 0.849 746 D CB 0.738 41.580 40.800 0.070 0.000 1.052 746 D HN 0.362 nan 8.370 nan 0.000 0.515 747 I N 0.016 120.660 120.570 0.123 0.000 2.850 747 I HA -0.015 4.154 4.170 -0.001 0.000 0.266 747 I C 0.102 176.287 176.117 0.112 0.000 1.257 747 I CA 0.808 62.212 61.300 0.173 0.000 1.465 747 I CB 0.098 38.199 38.000 0.169 0.000 1.091 747 I HN 0.108 nan 8.210 nan 0.000 0.467 748 D N 1.354 121.793 120.400 0.065 0.000 2.358 748 D HA 0.023 4.663 4.640 -0.001 0.000 0.224 748 D C 0.187 176.483 176.300 -0.007 0.000 1.123 748 D CA 0.155 54.168 54.000 0.021 0.000 0.833 748 D CB -0.267 40.541 40.800 0.013 0.000 0.946 748 D HN 0.387 nan 8.370 nan 0.000 0.505 749 D N 1.651 122.063 120.400 0.020 0.000 2.570 749 D HA -0.091 4.548 4.640 -0.001 0.000 0.243 749 D C 1.765 178.024 176.300 -0.067 0.000 1.171 749 D CA 0.059 54.066 54.000 0.013 0.000 0.879 749 D CB 1.303 42.158 40.800 0.091 0.000 1.143 749 D HN -0.016 nan 8.370 nan 0.000 0.511 750 V N 2.669 122.469 119.914 -0.191 0.000 3.141 750 V HA -0.117 4.003 4.120 -0.001 0.000 0.265 750 V C 1.543 177.442 176.094 -0.324 0.000 1.126 750 V CA 0.861 62.982 62.300 -0.298 0.000 1.141 750 V CB -0.883 30.689 31.823 -0.417 0.000 0.743 750 V HN 0.364 nan 8.190 nan 0.000 0.492 751 F N 0.389 120.324 119.950 -0.025 0.000 2.789 751 F HA 0.436 4.963 4.527 -0.001 0.000 0.300 751 F C 1.202 176.974 175.800 -0.047 0.000 1.132 751 F CA -0.755 57.230 58.000 -0.026 0.000 1.404 751 F CB -0.335 38.659 39.000 -0.011 0.000 1.114 751 F HN 0.069 nan 8.300 nan 0.000 0.584 752 L N 3.012 124.268 121.223 0.055 0.000 2.485 752 L HA 0.068 4.408 4.340 -0.001 0.000 0.275 752 L C -1.430 175.402 176.870 -0.063 0.000 1.207 752 L CA -1.584 53.220 54.840 -0.059 0.000 0.855 752 L CB -0.039 41.895 42.059 -0.208 0.000 1.114 752 L HN -0.084 nan 8.230 nan 0.000 0.485 753 P HA 0.105 nan 4.420 nan 0.000 0.275 753 P C -0.554 176.703 177.300 -0.071 0.000 1.266 753 P CA -0.534 62.540 63.100 -0.044 0.000 0.793 753 P CB 0.356 32.044 31.700 -0.020 0.000 1.074 754 T N -3.062 111.466 114.554 -0.043 0.000 2.856 754 T HA 0.143 4.493 4.350 -0.001 0.000 0.306 754 T C -1.738 172.936 174.700 -0.045 0.000 1.062 754 T CA -1.151 60.921 62.100 -0.047 0.000 1.083 754 T CB -0.442 68.409 68.868 -0.029 0.000 0.984 754 T HN 0.193 nan 8.240 nan 0.000 0.542 755 P HA -0.096 nan 4.420 nan 0.000 0.217 755 P C 1.111 178.409 177.300 -0.004 0.000 1.148 755 P CA 0.952 64.032 63.100 -0.032 0.000 0.828 755 P CB -0.017 31.657 31.700 -0.044 0.000 0.783 756 D N -1.372 119.025 120.400 -0.004 0.000 2.309 756 D HA -0.065 4.575 4.640 -0.001 0.000 0.212 756 D C 1.528 177.846 176.300 0.031 0.000 0.968 756 D CA 1.086 55.093 54.000 0.011 0.000 0.882 756 D CB -0.213 40.590 40.800 0.006 0.000 0.918 756 D HN 0.192 nan 8.370 nan 0.000 0.503 757 S N -0.408 115.311 115.700 0.031 0.000 2.503 757 S HA 0.145 4.614 4.470 -0.001 0.000 0.217 757 S C 2.005 176.659 174.600 0.090 0.000 0.999 757 S CA -0.036 58.195 58.200 0.053 0.000 0.914 757 S CB 0.612 63.835 63.200 0.038 0.000 0.782 757 S HN 0.223 nan 8.310 nan 0.000 0.520 758 L N 0.065 121.341 121.223 0.088 0.000 2.349 758 L HA 0.341 4.681 4.340 -0.001 0.000 0.200 758 L C 0.214 177.176 176.870 0.154 0.000 1.064 758 L CA 0.541 55.472 54.840 0.152 0.000 0.821 758 L CB -0.067 42.077 42.059 0.141 0.000 1.027 758 L HN 0.142 nan 8.230 nan 0.000 0.476 759 L N 2.831 124.110 121.223 0.095 0.000 2.315 759 L HA 0.275 4.614 4.340 -0.001 0.000 0.278 759 L C -0.210 176.699 176.870 0.065 0.000 1.088 759 L CA -0.576 54.306 54.840 0.070 0.000 0.899 759 L CB 0.916 42.991 42.059 0.027 0.000 1.277 759 L HN -0.013 nan 8.230 nan 0.000 0.431 760 V N -0.091 119.879 119.914 0.094 0.000 2.973 760 V HA 0.379 4.498 4.120 -0.001 0.000 0.314 760 V C 0.404 176.551 176.094 0.087 0.000 1.066 760 V CA -0.985 61.368 62.300 0.088 0.000 1.021 760 V CB 1.694 33.581 31.823 0.107 0.000 1.076 760 V HN 0.686 nan 8.190 nan 0.000 0.462 761 N N 1.374 120.122 118.700 0.081 0.000 2.452 761 N HA 0.004 4.743 4.740 -0.001 0.000 0.266 761 N C 0.725 176.307 175.510 0.120 0.000 1.209 761 N CA -0.214 52.894 53.050 0.096 0.000 0.929 761 N CB 1.143 39.689 38.487 0.098 0.000 1.063 761 N HN 0.876 nan 8.380 nan 0.000 0.472 762 L N 6.953 128.264 121.223 0.146 0.000 2.013 762 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 762 L C 1.897 178.865 176.870 0.164 0.000 1.073 762 L CA 1.890 56.830 54.840 0.165 0.000 0.753 762 L CB -1.227 40.947 42.059 0.193 0.000 0.890 762 L HN 0.724 nan 8.230 nan 0.000 0.432 763 Y N 0.395 120.737 120.300 0.069 0.000 2.163 763 Y HA -0.187 4.362 4.550 -0.001 0.000 0.288 763 Y C 2.430 178.359 175.900 0.048 0.000 1.136 763 Y CA 2.057 60.191 58.100 0.055 0.000 1.147 763 Y CB -0.218 38.271 38.460 0.048 0.000 0.987 763 Y HN 0.309 nan 8.280 nan 0.000 0.509 764 E N -0.308 119.855 120.200 -0.061 0.000 2.110 764 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 764 E C 1.654 178.183 176.600 -0.118 0.000 0.988 764 E CA 1.447 57.760 56.400 -0.145 0.000 0.804 764 E CB -0.362 29.346 29.700 0.015 0.000 0.745 764 E HN 0.353 nan 8.360 nan 0.000 0.458 765 S N 0.794 116.473 115.700 -0.035 0.000 2.561 765 S HA 0.092 4.562 4.470 -0.001 0.000 0.245 765 S C 1.234 175.833 174.600 -0.002 0.000 1.001 765 S CA -0.276 57.920 58.200 -0.006 0.000 1.002 765 S CB 0.556 63.785 63.200 0.049 0.000 0.805 765 S HN 0.048 nan 8.310 nan 0.000 0.458 766 K N 2.839 123.213 120.400 -0.043 0.000 2.034 766 K HA -0.175 4.145 4.320 -0.001 0.000 0.214 766 K C 1.746 178.334 176.600 -0.020 0.000 1.051 766 K CA 1.761 58.037 56.287 -0.019 0.000 0.931 766 K CB -0.147 32.320 32.500 -0.055 0.000 0.715 766 K HN 0.112 nan 8.250 nan 0.000 0.446 767 E N 0.309 120.483 120.200 -0.044 0.000 2.077 767 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 767 E C 2.205 178.784 176.600 -0.035 0.000 0.989 767 E CA 1.169 57.545 56.400 -0.041 0.000 0.800 767 E CB -0.283 29.389 29.700 -0.047 0.000 0.746 767 E HN 0.367 nan 8.360 nan 0.000 0.452 768 L N 0.450 121.661 121.223 -0.021 0.000 2.046 768 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 768 L C 2.517 179.374 176.870 -0.021 0.000 1.077 768 L CA 0.832 55.665 54.840 -0.011 0.000 0.747 768 L CB -0.354 41.716 42.059 0.019 0.000 0.896 768 L HN 0.093 nan 8.230 nan 0.000 0.432 769 I N -0.263 120.312 120.570 0.009 0.000 2.142 769 I HA -0.326 3.843 4.170 -0.001 0.000 0.240 769 I C 2.504 178.565 176.117 -0.094 0.000 1.078 769 I CA 1.493 62.801 61.300 0.014 0.000 1.343 769 I CB -0.294 37.779 38.000 0.121 0.000 1.046 769 I HN 0.183 nan 8.210 nan 0.000 0.405 770 K N 0.532 120.891 120.400 -0.068 0.000 2.103 770 K HA -0.193 4.126 4.320 -0.001 0.000 0.207 770 K C 1.717 178.237 176.600 -0.134 0.000 1.048 770 K CA 1.587 57.815 56.287 -0.099 0.000 0.930 770 K CB -0.211 32.250 32.500 -0.065 0.000 0.716 770 K HN 0.300 nan 8.250 nan 0.000 0.444 771 D N 0.939 121.270 120.400 -0.115 0.000 2.117 771 D HA -0.158 4.482 4.640 -0.001 0.000 0.197 771 D C 1.848 178.041 176.300 -0.179 0.000 0.987 771 D CA 0.839 54.765 54.000 -0.123 0.000 0.829 771 D CB -0.209 40.538 40.800 -0.088 0.000 0.961 771 D HN 0.024 nan 8.370 nan 0.000 0.460 772 L N 0.716 121.805 121.223 -0.224 0.000 2.046 772 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 772 L C 2.188 178.799 176.870 -0.432 0.000 1.077 772 L CA 1.299 55.930 54.840 -0.348 0.000 0.747 772 L CB -0.548 41.240 42.059 -0.452 0.000 0.896 772 L HN 0.001 nan 8.230 nan 0.000 0.432 773 L N -0.646 120.320 121.223 -0.430 0.000 2.131 773 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 773 L C 2.017 178.707 176.870 -0.300 0.000 1.092 773 L CA 1.609 56.201 54.840 -0.413 0.000 0.759 773 L CB -0.614 41.243 42.059 -0.337 0.000 0.903 773 L HN 0.393 nan 8.230 nan 0.000 0.435 774 N N -0.470 118.087 118.700 -0.237 0.000 2.354 774 N HA -0.057 4.682 4.740 -0.001 0.000 0.179 774 N C 1.783 177.173 175.510 -0.200 0.000 1.021 774 N CA 0.958 53.892 53.050 -0.193 0.000 0.887 774 N CB -0.015 38.382 38.487 -0.150 0.000 0.974 774 N HN 0.279 nan 8.380 nan 0.000 0.437 775 A N 0.384 123.071 122.820 -0.221 0.000 1.943 775 A HA 0.114 4.434 4.320 -0.001 0.000 0.213 775 A C 1.987 179.422 177.584 -0.248 0.000 1.181 775 A CA 0.313 52.220 52.037 -0.218 0.000 0.653 775 A CB -0.461 18.416 19.000 -0.204 0.000 0.833 775 A HN 0.132 nan 8.150 nan 0.000 0.451 776 L N -0.218 120.836 121.223 -0.281 0.000 2.021 776 L HA -0.190 4.149 4.340 -0.001 0.000 0.215 776 L C -0.598 176.151 176.870 -0.203 0.000 1.074 776 L CA 1.854 56.546 54.840 -0.247 0.000 0.760 776 L CB -1.373 40.504 42.059 -0.304 0.000 0.889 776 L HN 0.257 nan 8.230 nan 0.000 0.433 777 P HA -0.102 nan 4.420 nan 0.000 0.228 777 P C 0.205 177.381 177.300 -0.207 0.000 1.151 777 P CA 1.294 64.249 63.100 -0.243 0.000 0.770 777 P CB 0.000 31.541 31.700 -0.265 0.000 0.786 778 N N -2.386 116.193 118.700 -0.203 0.000 2.238 778 N HA 0.261 5.000 4.740 -0.001 0.000 0.235 778 N C 1.053 176.424 175.510 -0.232 0.000 1.209 778 N CA -0.162 52.775 53.050 -0.189 0.000 0.879 778 N CB -0.067 38.318 38.487 -0.170 0.000 1.136 778 N HN 0.008 nan 8.380 nan 0.000 0.517 779 M N -0.445 118.961 119.600 -0.323 0.000 2.394 779 M HA 0.199 4.678 4.480 -0.001 0.000 0.266 779 M C -0.295 175.529 176.300 -0.792 0.000 1.098 779 M CA 1.461 56.392 55.300 -0.615 0.000 1.149 779 M CB 0.384 32.457 32.600 -0.878 0.000 1.369 779 M HN 0.033 nan 8.290 nan 0.000 0.450 780 F N -0.091 119.802 119.950 -0.094 0.000 2.791 780 F HA 0.282 4.809 4.527 -0.001 0.000 0.308 780 F C 0.331 176.080 175.800 -0.085 0.000 1.138 780 F CA -0.559 57.398 58.000 -0.072 0.000 1.294 780 F CB -0.484 38.478 39.000 -0.064 0.000 0.975 780 F HN -0.215 nan 8.300 nan 0.000 0.512 781 T N 1.238 115.786 114.554 -0.010 0.000 2.849 781 T HA -0.145 4.205 4.350 -0.001 0.000 0.289 781 T C 0.902 175.607 174.700 0.009 0.000 1.010 781 T CA 0.519 62.599 62.100 -0.033 0.000 1.161 781 T CB -0.161 68.668 68.868 -0.064 0.000 0.989 781 T HN 0.457 nan 8.240 nan 0.000 0.523 782 N N 1.415 120.113 118.700 -0.002 0.000 2.710 782 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 782 N C 0.182 175.796 175.510 0.173 0.000 1.059 782 N CA 1.140 54.242 53.050 0.086 0.000 0.720 782 N CB -1.113 37.427 38.487 0.089 0.000 0.983 782 N HN 0.808 nan 8.380 nan 0.000 0.544 783 T N -0.579 114.074 114.554 0.164 0.000 2.939 783 T HA -0.018 4.332 4.350 -0.001 0.000 0.319 783 T C 1.697 176.547 174.700 0.250 0.000 1.082 783 T CA 0.626 62.847 62.100 0.202 0.000 1.133 783 T CB 0.446 69.440 68.868 0.210 0.000 1.019 783 T HN 0.461 nan 8.240 nan 0.000 0.548 784 R N 2.430 123.024 120.500 0.157 0.000 2.240 784 R HA 0.148 4.488 4.340 -0.001 0.000 0.203 784 R C 0.239 176.595 176.300 0.094 0.000 1.011 784 R CA 0.094 56.255 56.100 0.101 0.000 1.007 784 R CB 0.083 30.424 30.300 0.069 0.000 0.911 784 R HN 0.516 nan 8.270 nan 0.000 0.468 785 E N 2.250 122.527 120.200 0.128 0.000 2.366 785 E HA -0.020 4.330 4.350 -0.001 0.000 0.266 785 E C 0.414 177.079 176.600 0.107 0.000 1.015 785 E CA 0.691 57.162 56.400 0.119 0.000 0.906 785 E CB 1.629 31.406 29.700 0.128 0.000 0.979 785 E HN 0.367 nan 8.360 nan 0.000 0.443 786 T N -1.270 113.318 114.554 0.057 0.000 2.959 786 T HA 0.049 4.399 4.350 -0.001 0.000 0.254 786 T C 0.692 175.381 174.700 -0.018 0.000 1.003 786 T CA -0.139 61.965 62.100 0.007 0.000 0.950 786 T CB 0.178 68.995 68.868 -0.084 0.000 1.090 786 T HN 0.337 nan 8.240 nan 0.000 0.503 787 H N 1.796 120.902 119.070 0.059 0.000 2.615 787 H HA 0.587 5.142 4.556 -0.001 0.000 0.363 787 H C -0.466 174.906 175.328 0.075 0.000 1.148 787 H CA 0.124 56.210 56.048 0.063 0.000 1.401 787 H CB 1.470 31.269 29.762 0.062 0.000 1.461 787 H HN 0.244 nan 8.280 nan 0.000 0.588 788 S N 1.405 117.277 115.700 0.286 0.000 2.539 788 S HA 0.431 4.900 4.470 -0.001 0.000 0.235 788 S C -0.341 174.437 174.600 0.296 0.000 1.326 788 S CA -0.650 57.722 58.200 0.286 0.000 1.183 788 S CB -0.199 63.141 63.200 0.234 0.000 1.073 788 S HN 0.738 nan 8.310 nan 0.000 0.480 789 A N 5.142 128.133 122.820 0.285 0.000 3.091 789 A HA 0.328 4.648 4.320 -0.001 0.000 0.264 789 A C 1.201 178.711 177.584 -0.124 0.000 1.673 789 A CA -0.375 51.706 52.037 0.074 0.000 1.362 789 A CB -0.586 18.425 19.000 0.018 0.000 1.137 789 A HN 0.873 nan 8.150 nan 0.000 0.617 790 L N 1.829 122.983 121.223 -0.115 0.000 2.017 790 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 790 L C 2.284 179.024 176.870 -0.217 0.000 1.073 790 L CA 2.711 57.326 54.840 -0.375 0.000 0.745 790 L CB -0.915 41.142 42.059 -0.003 0.000 0.894 790 L HN 0.494 nan 8.230 nan 0.000 0.432 791 G N -0.299 108.447 108.800 -0.090 0.000 2.586 791 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 791 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 791 G C -0.530 174.391 174.900 0.034 0.000 1.216 791 G CA 1.159 46.216 45.100 -0.072 0.000 0.786 791 G HN 0.390 nan 8.290 nan 0.000 0.583 792 P HA -0.057 nan 4.420 nan 0.000 0.216 792 P C 2.196 179.463 177.300 -0.055 0.000 1.150 792 P CA 2.063 65.152 63.100 -0.018 0.000 0.837 792 P CB -0.178 31.499 31.700 -0.040 0.000 0.786 793 A N -0.536 122.154 122.820 -0.217 0.000 1.877 793 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 793 A C 2.196 179.704 177.584 -0.127 0.000 1.186 793 A CA 1.532 53.388 52.037 -0.302 0.000 0.620 793 A CB -1.660 16.835 19.000 -0.842 0.000 0.822 793 A HN 0.112 nan 8.150 nan 0.000 0.443 794 L N -0.925 120.249 121.223 -0.082 0.000 2.093 794 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 794 L C 2.844 179.770 176.870 0.093 0.000 1.085 794 L CA 1.420 56.284 54.840 0.040 0.000 0.755 794 L CB -0.673 41.447 42.059 0.103 0.000 0.904 794 L HN 0.509 nan 8.230 nan 0.000 0.435 795 Q N -0.120 119.736 119.800 0.095 0.000 2.119 795 Q HA -0.147 4.193 4.340 -0.001 0.000 0.201 795 Q C 2.449 178.563 176.000 0.190 0.000 0.972 795 Q CA 1.458 57.339 55.803 0.129 0.000 0.847 795 Q CB -0.192 28.612 28.738 0.110 0.000 0.903 795 Q HN 0.551 nan 8.270 nan 0.000 0.433 796 A N 1.088 124.005 122.820 0.162 0.000 1.930 796 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 796 A C 2.289 180.007 177.584 0.224 0.000 1.175 796 A CA 1.380 53.555 52.037 0.231 0.000 0.627 796 A CB -0.628 18.561 19.000 0.315 0.000 0.815 796 A HN 0.375 nan 8.150 nan 0.000 0.443 797 A N -0.792 122.136 122.820 0.179 0.000 1.902 797 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 797 A C 2.020 179.695 177.584 0.151 0.000 1.181 797 A CA 1.630 53.765 52.037 0.164 0.000 0.623 797 A CB -0.767 18.314 19.000 0.135 0.000 0.818 797 A HN 0.740 nan 8.150 nan 0.000 0.443 798 F N 0.916 120.884 119.950 0.031 0.000 2.069 798 F HA -0.201 4.325 4.527 -0.001 0.000 0.298 798 F C 2.133 177.938 175.800 0.009 0.000 1.113 798 F CA 2.359 60.360 58.000 0.002 0.000 1.214 798 F CB -0.377 38.602 39.000 -0.035 0.000 0.978 798 F HN 0.225 nan 8.300 nan 0.000 0.474 799 K N -0.048 120.227 120.400 -0.208 0.000 2.057 799 K HA -0.207 4.113 4.320 -0.001 0.000 0.207 799 K C 2.142 178.609 176.600 -0.222 0.000 1.049 799 K CA 1.620 57.720 56.287 -0.310 0.000 0.931 799 K CB -0.525 31.933 32.500 -0.069 0.000 0.714 799 K HN 0.377 nan 8.250 nan 0.000 0.440 800 L N 0.808 121.984 121.223 -0.077 0.000 2.093 800 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 800 L C 1.927 178.753 176.870 -0.073 0.000 1.085 800 L CA 1.625 56.443 54.840 -0.037 0.000 0.755 800 L CB -0.192 41.915 42.059 0.080 0.000 0.904 800 L HN 0.256 nan 8.230 nan 0.000 0.435 801 M N -1.913 117.631 119.600 -0.094 0.000 2.514 801 M HA 0.034 4.514 4.480 -0.001 0.000 0.258 801 M C 2.363 178.572 176.300 -0.152 0.000 1.119 801 M CA 0.840 56.086 55.300 -0.090 0.000 1.111 801 M CB -0.909 31.676 32.600 -0.026 0.000 1.390 801 M HN 0.372 nan 8.290 nan 0.000 0.475 802 S N 1.594 117.116 115.700 -0.297 0.000 2.380 802 S HA -0.119 4.350 4.470 -0.001 0.000 0.229 802 S C -0.691 173.803 174.600 -0.177 0.000 1.043 802 S CA 1.633 59.628 58.200 -0.341 0.000 1.038 802 S CB -0.894 61.958 63.200 -0.580 0.000 0.872 802 S HN 0.213 nan 8.310 nan 0.000 0.456 803 P HA -0.013 nan 4.420 nan 0.000 0.217 803 P C 1.551 178.803 177.300 -0.078 0.000 1.150 803 P CA 1.875 64.916 63.100 -0.098 0.000 0.832 803 P CB -0.159 31.488 31.700 -0.088 0.000 0.787 804 T N -6.224 108.278 114.554 -0.087 0.000 2.999 804 T HA 0.489 4.838 4.350 -0.001 0.000 0.247 804 T C 1.001 175.648 174.700 -0.087 0.000 1.012 804 T CA 0.421 62.466 62.100 -0.091 0.000 1.048 804 T CB -0.333 68.464 68.868 -0.118 0.000 1.020 804 T HN 0.290 nan 8.240 nan 0.000 0.478 805 G N -0.098 108.659 108.800 -0.071 0.000 2.728 805 G HA2 0.400 4.360 3.960 -0.001 0.000 0.294 805 G HA3 0.400 4.360 3.960 -0.001 0.000 0.294 805 G C 0.094 174.950 174.900 -0.073 0.000 1.342 805 G CA -0.411 44.672 45.100 -0.029 0.000 0.866 805 G HN 1.856 nan 8.290 nan 0.000 0.534 806 G N -1.107 107.696 108.800 0.005 0.000 2.291 806 G HA2 0.559 4.518 3.960 -0.001 0.000 0.249 806 G HA3 0.559 4.518 3.960 -0.001 0.000 0.249 806 G C -0.626 174.369 174.900 0.158 0.000 1.340 806 G CA 0.477 45.567 45.100 -0.017 0.000 1.017 806 G HN 1.461 nan 8.290 nan 0.000 0.470 807 R N -0.246 120.340 120.500 0.143 0.000 2.476 807 R HA 0.641 4.980 4.340 -0.001 0.000 0.305 807 R C -1.178 175.193 176.300 0.119 0.000 0.965 807 R CA -0.520 55.702 56.100 0.204 0.000 0.867 807 R CB 1.855 32.359 30.300 0.339 0.000 1.176 807 R HN 0.478 nan 8.270 nan 0.000 0.447 808 V N 3.230 123.211 119.914 0.112 0.000 2.394 808 V HA 0.338 4.457 4.120 -0.001 0.000 0.282 808 V C -0.312 175.849 176.094 0.111 0.000 1.031 808 V CA -0.490 61.849 62.300 0.065 0.000 0.881 808 V CB 1.811 33.692 31.823 0.098 0.000 0.982 808 V HN 0.774 nan 8.190 nan 0.000 0.451 809 S N 4.023 119.742 115.700 0.032 0.000 2.498 809 S HA 0.531 5.000 4.470 -0.001 0.000 0.324 809 S C -0.349 174.435 174.600 0.306 0.000 1.071 809 S CA -0.495 57.833 58.200 0.213 0.000 1.113 809 S CB 1.372 64.689 63.200 0.194 0.000 0.976 809 S HN 0.447 nan 8.310 nan 0.000 0.462 810 V N 4.369 124.425 119.914 0.236 0.000 2.394 810 V HA 0.487 4.606 4.120 -0.001 0.000 0.282 810 V C -0.816 175.324 176.094 0.076 0.000 1.031 810 V CA -0.512 61.937 62.300 0.248 0.000 0.881 810 V CB 0.564 32.490 31.823 0.172 0.000 0.982 810 V HN 0.785 nan 8.190 nan 0.000 0.451 811 F N 3.627 123.665 119.950 0.147 0.000 2.403 811 F HA 0.624 5.150 4.527 -0.001 0.000 0.355 811 F C 0.125 175.876 175.800 -0.082 0.000 1.119 811 F CA -0.436 57.510 58.000 -0.091 0.000 1.007 811 F CB 1.813 40.597 39.000 -0.360 0.000 1.194 811 F HN 0.406 nan 8.300 nan 0.000 0.443 812 Q N 1.300 121.108 119.800 0.012 0.000 2.356 812 Q HA 0.427 4.766 4.340 -0.001 0.000 0.270 812 Q C 0.198 176.180 176.000 -0.030 0.000 1.058 812 Q CA -0.483 55.351 55.803 0.051 0.000 0.802 812 Q CB 2.020 30.810 28.738 0.086 0.000 1.303 812 Q HN 0.655 nan 8.270 nan 0.000 0.444 813 T N -0.058 114.497 114.554 0.001 0.000 3.040 813 T HA 0.301 4.651 4.350 -0.001 0.000 0.266 813 T C -0.015 174.715 174.700 0.050 0.000 1.005 813 T CA 0.358 62.469 62.100 0.018 0.000 0.906 813 T CB 0.067 68.962 68.868 0.044 0.000 1.082 813 T HN 0.665 nan 8.240 nan 0.000 0.531 814 Q N 0.066 119.890 119.800 0.041 0.000 2.738 814 Q HA 0.534 4.874 4.340 -0.001 0.000 0.301 814 Q C -1.571 174.433 176.000 0.007 0.000 0.901 814 Q CA -1.243 54.581 55.803 0.034 0.000 0.756 814 Q CB 0.512 29.284 28.738 0.057 0.000 1.463 814 Q HN 0.160 nan 8.270 nan 0.000 0.432 815 L N 1.922 123.137 121.223 -0.012 0.000 2.540 815 L HA 0.230 4.569 4.340 -0.001 0.000 0.276 815 L C -2.059 174.828 176.870 0.027 0.000 1.212 815 L CA -1.446 53.374 54.840 -0.033 0.000 0.893 815 L CB 0.083 42.132 42.059 -0.017 0.000 1.138 815 L HN 0.458 nan 8.230 nan 0.000 0.491 816 P HA -0.022 nan 4.420 nan 0.000 0.264 816 P C -0.059 177.286 177.300 0.074 0.000 1.193 816 P CA 0.184 63.328 63.100 0.075 0.000 0.763 816 P CB 0.758 32.501 31.700 0.072 0.000 0.810 817 S N 2.401 118.177 115.700 0.126 0.000 2.578 817 S HA 0.304 4.773 4.470 -0.001 0.000 0.228 817 S C 0.028 174.716 174.600 0.147 0.000 1.022 817 S CA -0.137 58.164 58.200 0.168 0.000 0.967 817 S CB -0.054 63.299 63.200 0.256 0.000 0.914 817 S HN 0.282 nan 8.310 nan 0.000 0.515 818 L N 1.223 122.470 121.223 0.039 0.000 2.445 818 L HA 0.774 5.113 4.340 -0.001 0.000 0.262 818 L C 0.093 176.900 176.870 -0.106 0.000 0.974 818 L CA 1.170 55.941 54.840 -0.115 0.000 0.822 818 L CB 1.282 43.145 42.059 -0.326 0.000 1.339 818 L HN 0.549 nan 8.230 nan 0.000 0.409 819 G N 2.419 111.149 108.800 -0.117 0.000 2.725 819 G HA2 0.266 4.225 3.960 -0.001 0.000 0.220 819 G HA3 0.266 4.225 3.960 -0.001 0.000 0.220 819 G C -0.171 174.626 174.900 -0.172 0.000 1.357 819 G CA -0.113 44.918 45.100 -0.115 0.000 0.866 819 G HN 1.629 nan 8.290 nan 0.000 0.548 820 A N -0.451 122.255 122.820 -0.189 0.000 2.531 820 A HA 0.619 4.938 4.320 -0.001 0.000 0.236 820 A C 2.149 179.246 177.584 -0.811 0.000 1.062 820 A CA 2.359 54.196 52.037 -0.333 0.000 0.760 820 A CB -0.269 18.668 19.000 -0.106 0.000 0.995 820 A HN 2.973 nan 8.150 nan 0.000 0.501 821 G N 0.437 108.561 108.800 -1.127 0.000 2.179 821 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.260 821 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.260 821 G C 0.184 174.830 174.900 -0.423 0.000 0.977 821 G CA 0.486 44.743 45.100 -1.405 0.000 0.641 821 G HN 2.150 nan 8.290 nan 0.000 0.533 822 L N -0.357 120.707 121.223 -0.266 0.000 2.506 822 L HA 0.692 5.032 4.340 -0.001 0.000 0.281 822 L C 0.373 177.224 176.870 -0.030 0.000 1.228 822 L CA -0.137 54.651 54.840 -0.087 0.000 0.850 822 L CB 0.338 42.362 42.059 -0.060 0.000 1.110 822 L HN 0.122 nan 8.230 nan 0.000 0.496 823 L N 2.419 123.651 121.223 0.015 0.000 2.362 823 L HA 0.523 4.862 4.340 -0.001 0.000 0.271 823 L C -0.084 176.811 176.870 0.042 0.000 1.002 823 L CA -0.896 53.964 54.840 0.032 0.000 0.818 823 L CB 1.792 43.863 42.059 0.021 0.000 1.298 823 L HN 0.659 nan 8.230 nan 0.000 0.420 824 Q N 0.784 120.617 119.800 0.054 0.000 2.260 824 Q HA 0.178 4.518 4.340 -0.001 0.000 0.242 824 Q C -0.038 176.034 176.000 0.120 0.000 0.932 824 Q CA -0.195 55.643 55.803 0.059 0.000 0.891 824 Q CB 1.691 30.445 28.738 0.027 0.000 1.222 824 Q HN 0.528 nan 8.270 nan 0.000 0.453 825 S N 1.473 117.239 115.700 0.111 0.000 3.869 825 S HA 0.084 4.554 4.470 -0.001 0.000 0.241 825 S C 0.948 175.521 174.600 -0.045 0.000 1.363 825 S CA -0.417 57.889 58.200 0.177 0.000 0.894 825 S CB -0.309 62.965 63.200 0.124 0.000 1.519 825 S HN 0.504 nan 8.310 nan 0.000 0.470 826 R N 2.181 122.602 120.500 -0.132 0.000 2.297 826 R HA 0.226 4.565 4.340 -0.001 0.000 0.197 826 R C 0.580 176.438 176.300 -0.737 0.000 0.943 826 R CA -0.204 55.601 56.100 -0.491 0.000 1.038 826 R CB -0.146 29.779 30.300 -0.625 0.000 0.957 826 R HN 0.573 nan 8.270 nan 0.000 0.484 827 E N 2.568 122.242 120.200 -0.876 0.000 2.608 827 E HA -0.138 4.212 4.350 -0.001 0.000 0.259 827 E C -0.804 175.627 176.600 -0.282 0.000 0.951 827 E CA -0.002 55.992 56.400 -0.676 0.000 0.945 827 E CB 0.474 29.557 29.700 -1.028 0.000 0.916 827 E HN 0.088 nan 8.360 nan 0.000 0.477 828 D N 5.991 126.360 120.400 -0.052 0.000 2.316 828 D HA 0.077 4.716 4.640 -0.001 0.000 0.245 828 D C -1.378 174.901 176.300 -0.034 0.000 1.171 828 D CA -2.001 52.001 54.000 0.004 0.000 0.856 828 D CB 1.399 42.247 40.800 0.080 0.000 1.090 828 D HN 0.378 nan 8.370 nan 0.000 0.476 829 P HA -0.125 nan 4.420 nan 0.000 0.220 829 P C 0.411 177.700 177.300 -0.018 0.000 1.148 829 P CA 0.233 63.314 63.100 -0.032 0.000 0.803 829 P CB 0.318 32.002 31.700 -0.027 0.000 0.782 830 N N 1.385 120.078 118.700 -0.013 0.000 2.421 830 N HA -0.012 4.727 4.740 -0.001 0.000 0.260 830 N C 1.272 176.775 175.510 -0.012 0.000 1.173 830 N CA 0.123 53.167 53.050 -0.010 0.000 0.960 830 N CB 0.368 38.850 38.487 -0.007 0.000 1.273 830 N HN -0.009 nan 8.380 nan 0.000 0.497 831 Q N 2.800 122.592 119.800 -0.013 0.000 2.112 831 Q HA -0.167 4.172 4.340 -0.001 0.000 0.206 831 Q C 1.205 177.195 176.000 -0.016 0.000 0.987 831 Q CA 1.499 57.293 55.803 -0.014 0.000 0.858 831 Q CB -0.027 28.702 28.738 -0.015 0.000 0.905 831 Q HN 0.611 nan 8.270 nan 0.000 0.420 832 R N -0.031 120.458 120.500 -0.017 0.000 2.241 832 R HA -0.015 4.324 4.340 -0.001 0.000 0.224 832 R C 2.159 178.448 176.300 -0.018 0.000 1.101 832 R CA 0.806 56.895 56.100 -0.018 0.000 0.995 832 R CB -0.023 30.267 30.300 -0.018 0.000 0.870 832 R HN 0.074 nan 8.270 nan 0.000 0.463 833 S N -0.211 115.479 115.700 -0.017 0.000 2.515 833 S HA 0.008 4.478 4.470 -0.001 0.000 0.231 833 S C 1.132 175.716 174.600 -0.027 0.000 0.987 833 S CA 0.676 58.864 58.200 -0.020 0.000 0.936 833 S CB 0.355 63.545 63.200 -0.017 0.000 0.766 833 S HN 0.165 nan 8.310 nan 0.000 0.528 834 S N 0.591 116.277 115.700 -0.023 0.000 2.602 834 S HA 0.121 4.591 4.470 -0.001 0.000 0.240 834 S C 1.362 175.953 174.600 -0.015 0.000 0.992 834 S CA -0.244 57.943 58.200 -0.023 0.000 0.971 834 S CB 0.310 63.500 63.200 -0.018 0.000 0.855 834 S HN 0.420 nan 8.310 nan 0.000 0.481 835 T N 2.462 117.005 114.554 -0.017 0.000 2.777 835 T HA -0.026 4.323 4.350 -0.001 0.000 0.266 835 T C 1.719 176.412 174.700 -0.011 0.000 1.040 835 T CA 1.177 63.267 62.100 -0.016 0.000 1.141 835 T CB 0.009 68.863 68.868 -0.022 0.000 0.868 835 T HN 0.378 nan 8.240 nan 0.000 0.444 836 K N 0.034 120.427 120.400 -0.011 0.000 2.244 836 K HA 0.233 4.553 4.320 -0.001 0.000 0.200 836 K C -0.027 176.572 176.600 -0.001 0.000 1.052 836 K CA 0.436 56.720 56.287 -0.006 0.000 0.980 836 K CB 0.738 33.233 32.500 -0.008 0.000 0.838 836 K HN 0.069 nan 8.250 nan 0.000 0.481 837 V N 2.402 122.310 119.914 -0.010 0.000 2.482 837 V HA 0.167 4.286 4.120 -0.001 0.000 0.295 837 V C -0.445 175.634 176.094 -0.025 0.000 1.026 837 V CA -0.984 61.309 62.300 -0.013 0.000 0.856 837 V CB 1.853 33.662 31.823 -0.023 0.000 1.001 837 V HN -0.133 nan 8.190 nan 0.000 0.424 838 V N 5.269 125.175 119.914 -0.012 0.000 2.485 838 V HA 0.096 4.215 4.120 -0.001 0.000 0.287 838 V C 0.502 176.563 176.094 -0.056 0.000 1.022 838 V CA -0.309 61.980 62.300 -0.017 0.000 1.067 838 V CB 0.681 32.508 31.823 0.007 0.000 0.967 838 V HN 0.792 nan 8.190 nan 0.000 0.479 839 Q N 3.795 123.541 119.800 -0.090 0.000 2.297 839 Q HA 0.177 4.517 4.340 -0.001 0.000 0.267 839 Q C 0.559 176.449 176.000 -0.184 0.000 1.006 839 Q CA 0.122 55.773 55.803 -0.254 0.000 0.896 839 Q CB -0.046 28.546 28.738 -0.245 0.000 1.186 839 Q HN 0.955 nan 8.270 nan 0.000 0.392 840 H N -0.140 118.935 119.070 0.009 0.000 2.791 840 H HA -0.214 4.342 4.556 -0.001 0.000 0.302 840 H C 0.763 176.122 175.328 0.051 0.000 1.198 840 H CA 0.446 56.513 56.048 0.031 0.000 1.145 840 H CB -1.462 28.311 29.762 0.018 0.000 1.385 840 H HN 0.460 nan 8.280 nan 0.000 0.409 841 L N -0.074 121.196 121.223 0.079 0.000 2.156 841 L HA 0.209 4.548 4.340 -0.001 0.000 0.208 841 L C 1.656 178.572 176.870 0.078 0.000 1.095 841 L CA 1.886 56.769 54.840 0.072 0.000 0.770 841 L CB -0.137 41.946 42.059 0.040 0.000 0.914 841 L HN 0.435 nan 8.230 nan 0.000 0.439 842 G N -1.109 107.739 108.800 0.080 0.000 2.502 842 G HA2 0.455 4.415 3.960 -0.001 0.000 0.305 842 G HA3 0.455 4.415 3.960 -0.001 0.000 0.305 842 G C -2.599 172.362 174.900 0.102 0.000 1.190 842 G CA -1.118 44.032 45.100 0.083 0.000 0.933 842 G HN 0.075 nan 8.290 nan 0.000 0.503 843 P HA 0.164 nan 4.420 nan 0.000 0.267 843 P C 0.525 177.897 177.300 0.119 0.000 1.200 843 P CA 0.334 63.502 63.100 0.114 0.000 0.772 843 P CB 1.094 32.867 31.700 0.122 0.000 0.855 844 A N 1.848 124.746 122.820 0.130 0.000 2.021 844 A HA 0.089 4.408 4.320 -0.001 0.000 0.216 844 A C 1.114 178.762 177.584 0.107 0.000 1.163 844 A CA 1.692 53.802 52.037 0.122 0.000 0.676 844 A CB -0.373 18.698 19.000 0.118 0.000 0.818 844 A HN 0.576 nan 8.150 nan 0.000 0.453 845 T N -1.747 112.883 114.554 0.127 0.000 2.812 845 T HA 0.420 4.769 4.350 -0.001 0.000 0.294 845 T C -0.980 173.792 174.700 0.121 0.000 1.159 845 T CA 0.179 62.348 62.100 0.115 0.000 1.008 845 T CB 1.542 70.484 68.868 0.123 0.000 1.289 845 T HN 0.199 nan 8.240 nan 0.000 0.514 846 D N 0.555 121.001 120.400 0.076 0.000 2.368 846 D HA 0.139 4.779 4.640 -0.001 0.000 0.218 846 D C 1.320 177.610 176.300 -0.017 0.000 1.112 846 D CA -0.268 53.742 54.000 0.018 0.000 0.834 846 D CB -0.343 40.433 40.800 -0.040 0.000 0.953 846 D HN 0.379 nan 8.370 nan 0.000 0.505 847 F N 0.939 120.811 119.950 -0.129 0.000 2.065 847 F HA -0.253 4.273 4.527 -0.001 0.000 0.298 847 F C 1.391 176.967 175.800 -0.374 0.000 1.112 847 F CA 1.608 59.431 58.000 -0.295 0.000 1.212 847 F CB -0.183 38.551 39.000 -0.442 0.000 0.975 847 F HN -0.084 nan 8.300 nan 0.000 0.476 848 Y N 0.272 120.644 120.300 0.120 0.000 2.314 848 Y HA -0.118 4.432 4.550 -0.001 0.000 0.293 848 Y C 2.481 178.325 175.900 -0.092 0.000 1.129 848 Y CA 1.604 59.713 58.100 0.014 0.000 1.201 848 Y CB -0.746 37.791 38.460 0.128 0.000 0.999 848 Y HN 0.088 nan 8.280 nan 0.000 0.541 849 K N 0.866 121.273 120.400 0.012 0.000 2.025 849 K HA -0.237 4.082 4.320 -0.001 0.000 0.207 849 K C 2.221 178.652 176.600 -0.282 0.000 1.049 849 K CA 1.656 57.860 56.287 -0.139 0.000 0.933 849 K CB -0.063 32.269 32.500 -0.280 0.000 0.714 849 K HN -0.004 nan 8.250 nan 0.000 0.438 850 K N 1.250 121.461 120.400 -0.315 0.000 2.063 850 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 850 K C 2.003 178.331 176.600 -0.453 0.000 1.048 850 K CA 1.541 57.604 56.287 -0.373 0.000 0.928 850 K CB -0.640 31.638 32.500 -0.370 0.000 0.713 850 K HN 0.249 nan 8.250 nan 0.000 0.442 851 L N 0.376 121.281 121.223 -0.529 0.000 2.042 851 L HA -0.046 4.293 4.340 -0.001 0.000 0.210 851 L C 2.175 178.827 176.870 -0.363 0.000 1.076 851 L CA 2.306 56.820 54.840 -0.543 0.000 0.749 851 L CB -1.038 40.697 42.059 -0.540 0.000 0.893 851 L HN 0.247 nan 8.230 nan 0.000 0.432 852 A N -0.428 122.264 122.820 -0.213 0.000 1.902 852 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 852 A C 2.245 179.698 177.584 -0.218 0.000 1.181 852 A CA 1.939 53.909 52.037 -0.113 0.000 0.623 852 A CB -0.937 18.090 19.000 0.045 0.000 0.818 852 A HN 0.523 nan 8.150 nan 0.000 0.443 853 L N -0.436 120.589 121.223 -0.331 0.000 2.083 853 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 853 L C 2.040 178.614 176.870 -0.493 0.000 1.083 853 L CA 1.422 55.931 54.840 -0.551 0.000 0.752 853 L CB -0.687 41.068 42.059 -0.506 0.000 0.899 853 L HN 0.311 nan 8.230 nan 0.000 0.433 854 D N -0.527 119.610 120.400 -0.439 0.000 2.117 854 D HA -0.151 4.489 4.640 -0.001 0.000 0.198 854 D C 2.295 178.486 176.300 -0.181 0.000 0.982 854 D CA 1.231 54.962 54.000 -0.448 0.000 0.828 854 D CB -0.321 39.905 40.800 -0.956 0.000 0.967 854 D HN 0.356 nan 8.370 nan 0.000 0.464 855 C N 0.460 119.660 119.300 -0.167 0.000 2.432 855 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 855 C C 3.019 178.056 174.990 0.077 0.000 1.249 855 C CA 0.713 59.805 59.018 0.122 0.000 1.725 855 C CB -0.865 26.922 27.740 0.079 0.000 2.028 855 C HN 0.290 nan 8.230 nan 0.000 0.477 856 S N 0.457 116.124 115.700 -0.055 0.000 2.383 856 S HA -0.096 4.373 4.470 -0.001 0.000 0.229 856 S C 2.004 176.637 174.600 0.055 0.000 1.030 856 S CA 1.466 59.654 58.200 -0.020 0.000 1.002 856 S CB -0.609 62.481 63.200 -0.184 0.000 0.829 856 S HN 0.787 nan 8.310 nan 0.000 0.467 857 G N 0.525 109.323 108.800 -0.003 0.000 2.470 857 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.220 857 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.220 857 G C 1.055 176.032 174.900 0.129 0.000 1.121 857 G CA 0.533 45.697 45.100 0.106 0.000 0.766 857 G HN 0.390 nan 8.290 nan 0.000 0.553 858 Q N -0.077 119.807 119.800 0.140 0.000 2.175 858 Q HA 0.142 4.482 4.340 -0.001 0.000 0.225 858 Q C 0.295 176.346 176.000 0.085 0.000 0.837 858 Q CA -0.134 55.731 55.803 0.103 0.000 1.032 858 Q CB 0.664 29.455 28.738 0.088 0.000 1.137 858 Q HN 0.413 nan 8.270 nan 0.000 0.483 859 Q N -0.716 119.148 119.800 0.107 0.000 2.475 859 Q HA -0.122 4.217 4.340 -0.001 0.000 0.280 859 Q C -0.720 175.351 176.000 0.117 0.000 1.234 859 Q CA 0.899 56.771 55.803 0.114 0.000 0.873 859 Q CB -2.878 25.919 28.738 0.099 0.000 1.256 859 Q HN 0.226 nan 8.270 nan 0.000 0.475 860 T N 0.034 114.659 114.554 0.118 0.000 2.770 860 T HA 0.710 5.059 4.350 -0.001 0.000 0.283 860 T C 0.049 174.823 174.700 0.124 0.000 0.988 860 T CA 0.140 62.312 62.100 0.120 0.000 0.957 860 T CB 1.558 70.501 68.868 0.126 0.000 0.930 860 T HN 0.374 nan 8.240 nan 0.000 0.443 861 A N 3.096 125.998 122.820 0.137 0.000 2.303 861 A HA 0.764 5.084 4.320 -0.001 0.000 0.317 861 A C -0.380 177.282 177.584 0.129 0.000 1.149 861 A CA -0.596 51.518 52.037 0.129 0.000 0.822 861 A CB 0.691 19.776 19.000 0.141 0.000 1.131 861 A HN 0.671 nan 8.150 nan 0.000 0.493 862 V N 3.274 123.254 119.914 0.110 0.000 2.376 862 V HA 0.300 4.420 4.120 -0.001 0.000 0.287 862 V C -1.109 175.044 176.094 0.099 0.000 1.015 862 V CA -0.811 61.556 62.300 0.111 0.000 0.834 862 V CB 1.466 33.345 31.823 0.093 0.000 1.001 862 V HN 0.875 nan 8.190 nan 0.000 0.428 863 D N 4.085 124.571 120.400 0.143 0.000 2.193 863 D HA 0.495 5.134 4.640 -0.001 0.000 0.244 863 D C -0.494 175.821 176.300 0.024 0.000 1.064 863 D CA -0.294 53.766 54.000 0.099 0.000 0.845 863 D CB 2.734 43.695 40.800 0.269 0.000 1.148 863 D HN 0.377 nan 8.370 nan 0.000 0.464 864 L N 2.514 123.666 121.223 -0.118 0.000 2.296 864 L HA 0.475 4.815 4.340 -0.001 0.000 0.286 864 L C -1.512 175.172 176.870 -0.311 0.000 1.023 864 L CA -0.395 54.364 54.840 -0.136 0.000 0.812 864 L CB 0.613 42.600 42.059 -0.119 0.000 1.223 864 L HN 0.173 nan 8.230 nan 0.000 0.421 865 F N 6.385 126.131 119.950 -0.341 0.000 2.366 865 F HA 0.424 4.951 4.527 -0.001 0.000 0.366 865 F C -0.467 175.195 175.800 -0.231 0.000 1.096 865 F CA -0.584 57.194 58.000 -0.369 0.000 1.060 865 F CB 1.469 39.824 39.000 -1.075 0.000 1.282 865 F HN 0.319 nan 8.300 nan 0.000 0.450 866 L N 5.618 126.869 121.223 0.047 0.000 2.257 866 L HA 0.540 4.880 4.340 -0.001 0.000 0.290 866 L C -0.962 176.014 176.870 0.177 0.000 1.044 866 L CA -0.430 54.452 54.840 0.070 0.000 0.810 866 L CB 0.710 42.789 42.059 0.034 0.000 1.193 866 L HN 0.469 nan 8.230 nan 0.000 0.425 867 L N 5.200 126.466 121.223 0.071 0.000 2.732 867 L HA 0.449 4.788 4.340 -0.001 0.000 0.246 867 L C 0.078 177.017 176.870 0.114 0.000 1.407 867 L CA -0.090 54.798 54.840 0.080 0.000 0.861 867 L CB 0.376 42.318 42.059 -0.194 0.000 1.161 867 L HN 0.606 nan 8.230 nan 0.000 0.510 868 S N -1.885 113.904 115.700 0.148 0.000 2.593 868 S HA 0.577 5.046 4.470 -0.001 0.000 0.297 868 S C 0.952 175.642 174.600 0.150 0.000 1.112 868 S CA -0.008 58.277 58.200 0.143 0.000 1.043 868 S CB 1.848 65.120 63.200 0.121 0.000 1.054 868 S HN 0.369 nan 8.310 nan 0.000 0.516 869 S N 0.443 116.230 115.700 0.144 0.000 2.502 869 S HA 0.196 4.665 4.470 -0.001 0.000 0.215 869 S C 0.343 175.019 174.600 0.126 0.000 1.009 869 S CA -0.275 58.005 58.200 0.134 0.000 0.908 869 S CB -0.173 63.111 63.200 0.141 0.000 0.801 869 S HN 0.683 nan 8.310 nan 0.000 0.505 870 Q N 0.233 120.110 119.800 0.128 0.000 2.458 870 Q HA 0.353 4.692 4.340 -0.001 0.000 0.282 870 Q C -1.334 174.763 176.000 0.163 0.000 1.106 870 Q CA -0.926 54.961 55.803 0.140 0.000 0.814 870 Q CB 1.217 30.028 28.738 0.121 0.000 1.425 870 Q HN 0.448 nan 8.270 nan 0.000 0.437 871 Y N 0.639 120.972 120.300 0.054 0.000 2.895 871 Y HA -0.148 4.401 4.550 -0.001 0.000 0.334 871 Y C 0.210 176.124 175.900 0.024 0.000 1.261 871 Y CA 1.375 59.496 58.100 0.036 0.000 1.560 871 Y CB 0.382 38.851 38.460 0.015 0.000 1.253 871 Y HN 0.469 nan 8.280 nan 0.000 0.582 872 S N 3.923 119.255 115.700 -0.613 0.000 2.900 872 S HA 0.053 4.522 4.470 -0.001 0.000 0.253 872 S C -0.678 173.477 174.600 -0.740 0.000 1.029 872 S CA 0.217 58.103 58.200 -0.523 0.000 1.096 872 S CB -0.141 62.927 63.200 -0.221 0.000 1.067 872 S HN 0.873 nan 8.310 nan 0.000 0.610 873 D N 1.442 121.000 120.400 -1.403 0.000 2.828 873 D HA -0.148 4.491 4.640 -0.001 0.000 0.241 873 D C 0.475 176.548 176.300 -0.379 0.000 1.142 873 D CA 0.093 53.623 54.000 -0.785 0.000 0.755 873 D CB -1.438 39.115 40.800 -0.411 0.000 1.014 873 D HN 0.339 nan 8.370 nan 0.000 0.420 874 L N 1.236 122.256 121.223 -0.339 0.000 2.191 874 L HA 0.034 4.374 4.340 -0.001 0.000 0.212 874 L C 2.434 179.197 176.870 -0.178 0.000 1.103 874 L CA 2.617 57.289 54.840 -0.280 0.000 0.769 874 L CB -0.748 41.099 42.059 -0.352 0.000 0.908 874 L HN 0.386 nan 8.230 nan 0.000 0.438 875 A N -1.435 121.325 122.820 -0.100 0.000 1.892 875 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 875 A C 2.423 179.997 177.584 -0.016 0.000 1.188 875 A CA 2.251 54.271 52.037 -0.028 0.000 0.631 875 A CB -0.940 18.086 19.000 0.044 0.000 0.822 875 A HN 0.534 nan 8.150 nan 0.000 0.447 876 S N -0.442 115.239 115.700 -0.032 0.000 2.348 876 S HA 0.019 4.488 4.470 -0.001 0.000 0.219 876 S C 1.854 176.382 174.600 -0.119 0.000 1.033 876 S CA 1.187 59.391 58.200 0.007 0.000 0.974 876 S CB -0.437 62.789 63.200 0.044 0.000 0.868 876 S HN 0.489 nan 8.310 nan 0.000 0.459 877 L N 1.458 122.482 121.223 -0.332 0.000 2.079 877 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 877 L C 2.730 179.458 176.870 -0.237 0.000 1.081 877 L CA 1.184 55.726 54.840 -0.497 0.000 0.752 877 L CB -0.729 41.070 42.059 -0.433 0.000 0.896 877 L HN 0.318 nan 8.230 nan 0.000 0.433 878 A N -0.851 121.873 122.820 -0.159 0.000 2.076 878 A HA -0.236 4.084 4.320 -0.001 0.000 0.220 878 A C 2.357 179.913 177.584 -0.047 0.000 1.160 878 A CA 1.762 53.731 52.037 -0.113 0.000 0.653 878 A CB -1.117 17.813 19.000 -0.118 0.000 0.801 878 A HN 0.580 nan 8.150 nan 0.000 0.455 879 C N -0.192 119.132 119.300 0.041 0.000 2.419 879 C HA -0.136 4.323 4.460 -0.001 0.000 0.281 879 C C 2.882 177.985 174.990 0.189 0.000 1.336 879 C CA 1.210 60.340 59.018 0.187 0.000 1.770 879 C CB -1.521 26.384 27.740 0.276 0.000 1.929 879 C HN 0.854 nan 8.230 nan 0.000 0.509 880 M N 0.418 120.098 119.600 0.133 0.000 2.279 880 M HA -0.087 4.393 4.480 -0.001 0.000 0.264 880 M C 1.833 178.170 176.300 0.061 0.000 1.062 880 M CA 2.133 57.508 55.300 0.126 0.000 1.099 880 M CB -0.506 32.186 32.600 0.153 0.000 1.394 880 M HN 0.177 nan 8.290 nan 0.000 0.426 881 S N 0.627 116.330 115.700 0.005 0.000 2.460 881 S HA 0.115 4.584 4.470 -0.001 0.000 0.226 881 S C 1.766 176.306 174.600 -0.099 0.000 1.057 881 S CA 0.399 58.576 58.200 -0.038 0.000 0.948 881 S CB -0.011 63.139 63.200 -0.084 0.000 0.822 881 S HN 0.458 nan 8.310 nan 0.000 0.512 882 K N 0.568 120.864 120.400 -0.174 0.000 2.113 882 K HA -0.130 4.190 4.320 -0.001 0.000 0.208 882 K C 0.705 176.984 176.600 -0.534 0.000 1.047 882 K CA 1.537 57.581 56.287 -0.404 0.000 0.928 882 K CB -0.233 31.955 32.500 -0.521 0.000 0.716 882 K HN 0.429 nan 8.250 nan 0.000 0.446 883 Y N -0.511 119.742 120.300 -0.078 0.000 2.571 883 Y HA 0.070 4.620 4.550 -0.001 0.000 0.275 883 Y C 1.123 176.994 175.900 -0.048 0.000 1.179 883 Y CA -0.134 57.934 58.100 -0.053 0.000 1.242 883 Y CB 0.609 39.025 38.460 -0.073 0.000 1.126 883 Y HN 0.019 nan 8.280 nan 0.000 0.524 884 S N -1.612 114.124 115.700 0.060 0.000 2.937 884 S HA 0.542 5.011 4.470 -0.001 0.000 0.252 884 S C 1.095 175.748 174.600 0.090 0.000 1.022 884 S CA -0.012 58.228 58.200 0.067 0.000 1.079 884 S CB 0.172 63.402 63.200 0.050 0.000 1.035 884 S HN 0.361 nan 8.310 nan 0.000 0.594 885 A N -0.119 122.748 122.820 0.078 0.000 2.860 885 A HA 0.010 4.330 4.320 -0.001 0.000 0.267 885 A C 1.012 178.637 177.584 0.069 0.000 1.421 885 A CA 0.854 52.958 52.037 0.110 0.000 0.831 885 A CB -2.214 16.898 19.000 0.187 0.000 1.041 885 A HN 1.496 nan 8.150 nan 0.000 0.623 886 G N -2.189 106.625 108.800 0.024 0.000 2.543 886 G HA2 0.492 4.451 3.960 -0.001 0.000 0.290 886 G HA3 0.492 4.451 3.960 -0.001 0.000 0.290 886 G C 0.141 175.018 174.900 -0.039 0.000 1.310 886 G CA 0.046 45.165 45.100 0.031 0.000 1.025 886 G HN 1.115 nan 8.290 nan 0.000 0.502 887 C N -0.848 118.430 119.300 -0.037 0.000 2.493 887 C HA 0.663 5.123 4.460 -0.001 0.000 0.326 887 C C -0.036 174.774 174.990 -0.301 0.000 1.200 887 C CA -0.511 58.395 59.018 -0.188 0.000 1.739 887 C CB 0.553 28.217 27.740 -0.127 0.000 2.300 887 C HN 0.493 nan 8.230 nan 0.000 0.500 888 I N 2.023 122.338 120.570 -0.425 0.000 2.389 888 I HA 0.381 4.550 4.170 -0.001 0.000 0.288 888 I C -1.125 174.723 176.117 -0.449 0.000 0.999 888 I CA -0.259 60.836 61.300 -0.343 0.000 1.129 888 I CB 0.818 38.709 38.000 -0.183 0.000 1.288 888 I HN 0.600 nan 8.210 nan 0.000 0.444 889 Y N 5.640 125.685 120.300 -0.424 0.000 2.393 889 Y HA 0.478 5.027 4.550 -0.001 0.000 0.341 889 Y C -0.735 174.896 175.900 -0.449 0.000 0.988 889 Y CA -0.712 57.118 58.100 -0.448 0.000 1.078 889 Y CB 1.801 39.906 38.460 -0.591 0.000 1.203 889 Y HN 0.383 nan 8.280 nan 0.000 0.453 890 Y N 3.477 123.262 120.300 -0.859 0.000 2.338 890 Y HA 0.465 5.014 4.550 -0.001 0.000 0.333 890 Y C -1.976 173.407 175.900 -0.863 0.000 0.968 890 Y CA -2.257 55.312 58.100 -0.884 0.000 1.123 890 Y CB 0.709 38.307 38.460 -1.437 0.000 1.165 890 Y HN 0.576 nan 8.280 nan 0.000 0.452 891 Y N 7.566 127.641 120.300 -0.374 0.000 2.748 891 Y HA 0.360 4.909 4.550 -0.001 0.000 0.359 891 Y C -2.372 173.316 175.900 -0.353 0.000 1.030 891 Y CA -2.721 55.224 58.100 -0.259 0.000 1.169 891 Y CB 0.577 39.088 38.460 0.085 0.000 1.127 891 Y HN 0.436 nan 8.280 nan 0.000 0.644 892 P HA -0.055 nan 4.420 nan 0.000 0.265 892 P C 0.253 177.522 177.300 -0.051 0.000 1.193 892 P CA 0.711 63.556 63.100 -0.425 0.000 0.765 892 P CB 1.260 32.640 31.700 -0.533 0.000 0.823 893 S N 0.139 115.875 115.700 0.060 0.000 3.581 893 S HA -0.242 4.228 4.470 -0.001 0.000 0.354 893 S C 0.211 174.925 174.600 0.190 0.000 1.059 893 S CA 0.295 58.572 58.200 0.128 0.000 1.060 893 S CB -2.417 60.833 63.200 0.082 0.000 0.908 893 S HN 0.617 nan 8.310 nan 0.000 0.475 894 F N 2.829 122.833 119.950 0.091 0.000 2.572 894 F HA 0.344 4.870 4.527 -0.001 0.000 0.370 894 F C 0.706 176.610 175.800 0.172 0.000 1.103 894 F CA 0.624 58.692 58.000 0.114 0.000 1.286 894 F CB 0.456 39.509 39.000 0.088 0.000 1.105 894 F HN 0.404 nan 8.300 nan 0.000 0.583 895 H N 6.255 125.087 119.070 -0.396 0.000 3.188 895 H HA 0.020 4.576 4.556 -0.001 0.000 0.325 895 H C -0.283 174.820 175.328 -0.374 0.000 1.033 895 H CA -0.729 55.227 56.048 -0.154 0.000 1.443 895 H CB 0.519 30.298 29.762 0.028 0.000 1.968 895 H HN 0.859 nan 8.280 nan 0.000 0.449 896 Y N 3.759 123.784 120.300 -0.459 0.000 2.096 896 Y HA -0.312 4.238 4.550 -0.001 0.000 0.278 896 Y C 1.546 177.368 175.900 -0.130 0.000 1.192 896 Y CA 3.011 60.942 58.100 -0.282 0.000 1.143 896 Y CB 0.152 38.505 38.460 -0.179 0.000 0.963 896 Y HN 0.560 nan 8.280 nan 0.000 0.505 897 T N -1.571 113.078 114.554 0.158 0.000 2.953 897 T HA -0.028 4.322 4.350 -0.001 0.000 0.247 897 T C 1.287 175.924 174.700 -0.105 0.000 1.029 897 T CA 1.031 63.109 62.100 -0.036 0.000 1.144 897 T CB -0.195 68.604 68.868 -0.116 0.000 0.870 897 T HN 0.390 nan 8.240 nan 0.000 0.446 898 H N 0.849 119.958 119.070 0.065 0.000 2.548 898 H HA 0.268 4.823 4.556 -0.001 0.000 0.268 898 H C 0.772 176.058 175.328 -0.069 0.000 0.975 898 H CA 0.483 56.457 56.048 -0.124 0.000 1.195 898 H CB 0.195 29.733 29.762 -0.375 0.000 1.397 898 H HN 0.183 nan 8.280 nan 0.000 0.572 899 N N 0.350 119.066 118.700 0.027 0.000 2.673 899 N HA 0.060 4.800 4.740 -0.001 0.000 0.265 899 N C -2.066 173.344 175.510 -0.166 0.000 1.709 899 N CA -1.416 51.608 53.050 -0.042 0.000 0.792 899 N CB 0.717 39.188 38.487 -0.027 0.000 1.286 899 N HN -0.008 nan 8.380 nan 0.000 0.506 900 P HA -0.147 nan 4.420 nan 0.000 0.221 900 P C 1.160 178.375 177.300 -0.142 0.000 1.145 900 P CA 1.065 64.037 63.100 -0.212 0.000 0.795 900 P CB 0.239 31.850 31.700 -0.148 0.000 0.775 901 S N -0.620 115.032 115.700 -0.081 0.000 2.383 901 S HA -0.158 4.311 4.470 -0.001 0.000 0.227 901 S C 2.118 176.696 174.600 -0.036 0.000 1.026 901 S CA 0.718 58.886 58.200 -0.054 0.000 0.981 901 S CB -1.011 62.128 63.200 -0.102 0.000 0.818 901 S HN 0.067 nan 8.310 nan 0.000 0.472 902 Q N 1.249 121.010 119.800 -0.066 0.000 2.172 902 Q HA 0.186 4.526 4.340 -0.001 0.000 0.200 902 Q C 2.545 178.553 176.000 0.013 0.000 0.964 902 Q CA 1.401 57.228 55.803 0.040 0.000 0.855 902 Q CB -0.783 27.974 28.738 0.031 0.000 0.918 902 Q HN 0.736 nan 8.270 nan 0.000 0.444 903 A N 1.097 123.755 122.820 -0.271 0.000 1.873 903 A HA -0.198 4.121 4.320 -0.001 0.000 0.215 903 A C 2.013 179.601 177.584 0.006 0.000 1.186 903 A CA 1.584 53.535 52.037 -0.144 0.000 0.616 903 A CB -0.466 18.301 19.000 -0.389 0.000 0.823 903 A HN 0.432 nan 8.150 nan 0.000 0.442 904 E N -0.097 120.080 120.200 -0.038 0.000 2.150 904 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 904 E C 2.015 178.648 176.600 0.056 0.000 0.985 904 E CA 1.377 57.780 56.400 0.005 0.000 0.814 904 E CB -0.116 29.592 29.700 0.014 0.000 0.752 904 E HN 0.621 nan 8.360 nan 0.000 0.466 905 K N 0.320 120.774 120.400 0.090 0.000 2.025 905 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 905 K C 2.288 179.007 176.600 0.198 0.000 1.049 905 K CA 1.123 57.501 56.287 0.153 0.000 0.933 905 K CB -0.165 32.465 32.500 0.217 0.000 0.714 905 K HN 0.171 nan 8.250 nan 0.000 0.438 906 L N 1.871 123.177 121.223 0.138 0.000 2.042 906 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 906 L C 2.226 179.118 176.870 0.038 0.000 1.076 906 L CA 1.681 56.501 54.840 -0.035 0.000 0.749 906 L CB -0.437 41.476 42.059 -0.244 0.000 0.893 906 L HN 0.283 nan 8.230 nan 0.000 0.432 907 Q N -0.396 119.438 119.800 0.056 0.000 2.045 907 Q HA -0.277 4.063 4.340 -0.001 0.000 0.206 907 Q C 2.228 178.262 176.000 0.058 0.000 0.991 907 Q CA 2.328 58.158 55.803 0.045 0.000 0.851 907 Q CB -0.230 28.530 28.738 0.037 0.000 0.911 907 Q HN 0.571 nan 8.270 nan 0.000 0.418 908 K N 0.313 120.756 120.400 0.072 0.000 2.057 908 K HA -0.127 4.193 4.320 -0.001 0.000 0.206 908 K C 1.689 178.355 176.600 0.110 0.000 1.050 908 K CA 1.259 57.592 56.287 0.078 0.000 0.935 908 K CB 0.011 32.551 32.500 0.067 0.000 0.715 908 K HN 0.158 nan 8.250 nan 0.000 0.439 909 D N 1.215 121.703 120.400 0.147 0.000 2.144 909 D HA -0.126 4.514 4.640 -0.001 0.000 0.199 909 D C 1.909 178.317 176.300 0.180 0.000 0.984 909 D CA 0.956 55.072 54.000 0.195 0.000 0.834 909 D CB -0.129 40.842 40.800 0.284 0.000 0.955 909 D HN 0.118 nan 8.370 nan 0.000 0.465 910 L N 0.328 121.631 121.223 0.134 0.000 2.093 910 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 910 L C 2.318 179.297 176.870 0.180 0.000 1.085 910 L CA 0.800 55.736 54.840 0.160 0.000 0.755 910 L CB -0.228 41.870 42.059 0.066 0.000 0.904 910 L HN -0.032 nan 8.230 nan 0.000 0.435 911 K N 0.873 121.346 120.400 0.121 0.000 2.032 911 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 911 K C 2.170 178.840 176.600 0.116 0.000 1.048 911 K CA 1.580 57.924 56.287 0.095 0.000 0.927 911 K CB -0.174 32.367 32.500 0.067 0.000 0.712 911 K HN -0.045 nan 8.250 nan 0.000 0.441 912 R N -0.577 120.010 120.500 0.145 0.000 2.066 912 R HA -0.131 4.208 4.340 -0.001 0.000 0.232 912 R C 2.256 178.679 176.300 0.205 0.000 1.131 912 R CA 1.827 58.019 56.100 0.152 0.000 0.955 912 R CB -1.338 29.057 30.300 0.160 0.000 0.851 912 R HN 0.418 nan 8.270 nan 0.000 0.432 913 Y N 0.521 120.907 120.300 0.142 0.000 2.165 913 Y HA -0.137 4.412 4.550 -0.001 0.000 0.286 913 Y C 1.651 177.638 175.900 0.145 0.000 1.155 913 Y CA 2.029 60.240 58.100 0.185 0.000 1.164 913 Y CB -0.115 38.476 38.460 0.219 0.000 0.978 913 Y HN 0.100 nan 8.280 nan 0.000 0.513 914 L N -0.890 120.409 121.223 0.127 0.000 2.341 914 L HA -0.051 4.288 4.340 -0.001 0.000 0.214 914 L C 2.146 178.994 176.870 -0.037 0.000 1.115 914 L CA 1.478 56.312 54.840 -0.011 0.000 0.820 914 L CB -0.496 41.604 42.059 0.069 0.000 0.944 914 L HN 0.350 nan 8.230 nan 0.000 0.452 915 T N -3.122 111.441 114.554 0.014 0.000 2.990 915 T HA 0.079 4.428 4.350 -0.001 0.000 0.250 915 T C 1.036 175.747 174.700 0.018 0.000 1.041 915 T CA -0.614 61.496 62.100 0.017 0.000 1.010 915 T CB 0.007 68.893 68.868 0.030 0.000 1.003 915 T HN 0.243 nan 8.240 nan 0.000 0.499 916 R N 2.503 123.016 120.500 0.022 0.000 2.784 916 R HA 0.258 4.597 4.340 -0.001 0.000 0.266 916 R C 0.252 176.554 176.300 0.004 0.000 1.044 916 R CA -0.691 55.419 56.100 0.016 0.000 1.151 916 R CB 0.302 30.627 30.300 0.041 0.000 1.037 916 R HN 0.446 nan 8.270 nan 0.000 0.478 917 K N 1.482 121.867 120.400 -0.024 0.000 2.187 917 K HA 0.286 4.605 4.320 -0.001 0.000 0.247 917 K C -0.266 176.362 176.600 0.047 0.000 1.019 917 K CA -0.468 55.811 56.287 -0.013 0.000 0.893 917 K CB 0.633 33.060 32.500 -0.122 0.000 1.025 917 K HN 0.685 nan 8.250 nan 0.000 0.500 918 I N -1.009 119.614 120.570 0.088 0.000 2.918 918 I HA 0.452 4.622 4.170 -0.001 0.000 0.301 918 I C -1.404 174.630 176.117 -0.139 0.000 1.312 918 I CA -0.759 60.532 61.300 -0.015 0.000 1.007 918 I CB 2.404 40.269 38.000 -0.224 0.000 1.281 918 I HN 0.896 nan 8.210 nan 0.000 0.440 919 G N 4.686 113.240 108.800 -0.410 0.000 2.590 919 G HA2 0.658 4.617 3.960 -0.001 0.000 0.310 919 G HA3 0.658 4.617 3.960 -0.001 0.000 0.310 919 G C -1.648 172.992 174.900 -0.434 0.000 1.347 919 G CA -0.299 44.532 45.100 -0.447 0.000 0.963 919 G HN 0.337 nan 8.290 nan 0.000 0.494 920 F N 0.437 120.453 119.950 0.110 0.000 2.450 920 F HA 0.373 4.899 4.527 -0.001 0.000 0.328 920 F C 1.209 177.054 175.800 0.076 0.000 1.068 920 F CA -0.619 57.422 58.000 0.069 0.000 1.007 920 F CB 1.240 40.269 39.000 0.048 0.000 1.251 920 F HN 0.786 nan 8.300 nan 0.000 0.492 921 E N -0.646 119.719 120.200 0.274 0.000 2.024 921 E HA -0.159 4.190 4.350 -0.001 0.000 0.171 921 E C -1.000 175.682 176.600 0.136 0.000 1.417 921 E CA 0.192 56.694 56.400 0.170 0.000 0.650 921 E CB -1.584 28.201 29.700 0.140 0.000 1.044 921 E HN 0.640 nan 8.360 nan 0.000 0.308 922 A N 1.238 124.120 122.820 0.104 0.000 2.299 922 A HA 0.807 5.126 4.320 -0.001 0.000 0.332 922 A C 0.210 177.814 177.584 0.033 0.000 1.131 922 A CA -0.135 51.943 52.037 0.069 0.000 0.844 922 A CB 1.869 20.872 19.000 0.005 0.000 1.251 922 A HN 0.958 nan 8.150 nan 0.000 0.486 923 V N -1.400 118.519 119.914 0.009 0.000 2.971 923 V HA 0.837 4.957 4.120 -0.001 0.000 0.309 923 V C -0.684 175.368 176.094 -0.070 0.000 1.130 923 V CA -0.699 61.581 62.300 -0.033 0.000 0.964 923 V CB 1.622 33.440 31.823 -0.009 0.000 1.029 923 V HN 1.119 nan 8.190 nan 0.000 0.427 924 M N 3.635 123.148 119.600 -0.144 0.000 2.267 924 M HA 0.662 5.142 4.480 -0.001 0.000 0.289 924 M C -1.079 175.122 176.300 -0.164 0.000 1.043 924 M CA -0.533 54.669 55.300 -0.164 0.000 0.928 924 M CB 2.065 34.498 32.600 -0.279 0.000 1.613 924 M HN 0.982 nan 8.290 nan 0.000 0.450 925 R N 4.592 125.055 120.500 -0.062 0.000 2.711 925 R HA 0.746 5.085 4.340 -0.001 0.000 0.284 925 R C -1.722 174.612 176.300 0.058 0.000 0.968 925 R CA -0.573 55.520 56.100 -0.012 0.000 0.924 925 R CB 1.617 31.941 30.300 0.040 0.000 1.162 925 R HN 0.810 nan 8.270 nan 0.000 0.465 926 I N 4.433 125.080 120.570 0.128 0.000 2.411 926 I HA 0.395 4.565 4.170 -0.001 0.000 0.284 926 I C -0.008 176.241 176.117 0.220 0.000 1.012 926 I CA -0.665 60.754 61.300 0.199 0.000 1.119 926 I CB 1.669 39.830 38.000 0.268 0.000 1.261 926 I HN 0.455 nan 8.210 nan 0.000 0.448 927 R N 4.635 125.267 120.500 0.220 0.000 2.573 927 R HA 0.782 5.122 4.340 -0.001 0.000 0.272 927 R C -0.751 175.666 176.300 0.195 0.000 1.009 927 R CA -0.503 55.701 56.100 0.173 0.000 1.059 927 R CB 1.901 32.283 30.300 0.137 0.000 1.112 927 R HN 0.805 nan 8.270 nan 0.000 0.517 928 C N -1.663 117.694 119.300 0.094 0.000 3.173 928 C HA 0.460 4.919 4.460 -0.001 0.000 0.310 928 C C 0.187 175.091 174.990 -0.143 0.000 1.306 928 C CA -1.078 57.920 59.018 -0.033 0.000 1.426 928 C CB 1.247 29.054 27.740 0.113 0.000 1.800 928 C HN 0.747 nan 8.230 nan 0.000 0.470 929 T N 2.185 116.564 114.554 -0.291 0.000 2.946 929 T HA 0.069 4.418 4.350 -0.001 0.000 0.312 929 T C 0.342 174.938 174.700 -0.174 0.000 1.066 929 T CA 0.561 62.503 62.100 -0.263 0.000 1.138 929 T CB 0.197 68.901 68.868 -0.273 0.000 1.014 929 T HN 0.897 nan 8.240 nan 0.000 0.544 930 K N 1.417 121.704 120.400 -0.189 0.000 2.543 930 K HA 0.078 4.397 4.320 -0.001 0.000 0.279 930 K C 1.362 177.947 176.600 -0.025 0.000 1.001 930 K CA 1.081 57.312 56.287 -0.092 0.000 1.088 930 K CB -0.451 31.998 32.500 -0.084 0.000 0.863 930 K HN 0.895 nan 8.250 nan 0.000 0.488 931 G N 3.174 111.971 108.800 -0.005 0.000 2.339 931 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.209 931 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.209 931 G C -0.118 174.796 174.900 0.023 0.000 1.015 931 G CA -0.104 45.005 45.100 0.014 0.000 0.635 931 G HN 0.513 nan 8.290 nan 0.000 0.499 932 L N 1.359 122.593 121.223 0.019 0.000 2.357 932 L HA 0.753 5.093 4.340 -0.001 0.000 0.273 932 L C 0.429 177.343 176.870 0.074 0.000 1.080 932 L CA -0.298 54.581 54.840 0.064 0.000 0.803 932 L CB 1.882 43.996 42.059 0.093 0.000 1.174 932 L HN 0.259 nan 8.230 nan 0.000 0.443 933 S N 2.695 118.450 115.700 0.092 0.000 2.540 933 S HA 0.595 5.064 4.470 -0.001 0.000 0.275 933 S C -0.648 173.997 174.600 0.075 0.000 1.123 933 S CA -0.898 57.349 58.200 0.079 0.000 0.907 933 S CB 1.251 64.489 63.200 0.063 0.000 1.081 933 S HN 0.389 nan 8.310 nan 0.000 0.476 934 M N 4.727 124.355 119.600 0.047 0.000 2.217 934 M HA 0.238 4.717 4.480 -0.001 0.000 0.354 934 M C 0.894 177.186 176.300 -0.013 0.000 1.225 934 M CA 0.059 55.329 55.300 -0.049 0.000 1.137 934 M CB 0.392 32.939 32.600 -0.088 0.000 1.576 934 M HN 0.912 nan 8.290 nan 0.000 0.461 935 H N 1.721 120.709 119.070 -0.137 0.000 2.373 935 H HA 0.268 4.823 4.556 -0.001 0.000 0.290 935 H C -0.524 174.763 175.328 -0.067 0.000 0.989 935 H CA 0.818 56.827 56.048 -0.065 0.000 1.250 935 H CB 1.176 30.917 29.762 -0.034 0.000 1.477 935 H HN 0.557 nan 8.280 nan 0.000 0.551 936 T N 1.098 115.690 114.554 0.064 0.000 2.991 936 T HA 0.323 4.672 4.350 -0.001 0.000 0.303 936 T C -1.139 173.431 174.700 -0.217 0.000 1.015 936 T CA -0.493 61.605 62.100 -0.004 0.000 1.007 936 T CB 1.416 70.362 68.868 0.130 0.000 1.034 936 T HN -0.007 nan 8.240 nan 0.000 0.446 937 F N 2.519 122.400 119.950 -0.115 0.000 2.377 937 F HA 0.471 4.998 4.527 -0.001 0.000 0.328 937 F C 1.095 176.867 175.800 -0.047 0.000 1.094 937 F CA -0.447 57.527 58.000 -0.044 0.000 1.093 937 F CB 1.007 39.905 39.000 -0.171 0.000 1.214 937 F HN 0.453 nan 8.300 nan 0.000 0.518 938 H N 1.140 120.597 119.070 0.645 0.000 2.689 938 H HA 0.647 5.202 4.556 -0.001 0.000 0.346 938 H C 0.184 175.824 175.328 0.521 0.000 1.037 938 H CA -0.557 55.761 56.048 0.449 0.000 1.234 938 H CB 1.394 31.293 29.762 0.230 0.000 1.572 938 H HN 0.813 nan 8.280 nan 0.000 0.524 939 G N 2.340 111.259 108.800 0.199 0.000 2.357 939 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.289 939 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.289 939 G C -1.556 172.881 174.900 -0.772 0.000 1.302 939 G CA -1.121 43.927 45.100 -0.087 0.000 0.936 939 G HN 0.433 nan 8.290 nan 0.000 0.513 940 N N 0.783 119.170 118.700 -0.522 0.000 2.437 940 N HA 0.838 5.578 4.740 -0.001 0.000 0.259 940 N C -0.489 174.889 175.510 -0.220 0.000 0.983 940 N CA 0.076 52.814 53.050 -0.520 0.000 0.937 940 N CB 0.750 39.068 38.487 -0.282 0.000 1.122 940 N HN 0.790 nan 8.380 nan 0.000 0.499 941 F N -0.573 119.423 119.950 0.077 0.000 3.265 941 F HA 0.476 5.002 4.527 -0.001 0.000 0.328 941 F C -2.011 173.915 175.800 0.210 0.000 1.117 941 F CA -1.591 56.493 58.000 0.141 0.000 0.850 941 F CB 0.615 39.688 39.000 0.120 0.000 1.470 941 F HN 0.101 nan 8.300 nan 0.000 0.473 942 F N 2.850 123.043 119.950 0.406 0.000 2.430 942 F HA 0.726 5.253 4.527 -0.001 0.000 0.362 942 F C -0.942 174.952 175.800 0.157 0.000 1.103 942 F CA -1.944 56.223 58.000 0.278 0.000 1.045 942 F CB 0.747 39.845 39.000 0.163 0.000 1.276 942 F HN 0.458 nan 8.300 nan 0.000 0.444 943 V N 7.691 127.687 119.914 0.137 0.000 2.655 943 V HA 0.193 4.312 4.120 -0.001 0.000 0.300 943 V C 0.995 176.822 176.094 -0.445 0.000 1.044 943 V CA 0.082 62.247 62.300 -0.225 0.000 1.095 943 V CB 0.792 32.569 31.823 -0.077 0.000 0.952 943 V HN 0.651 nan 8.190 nan 0.000 0.485 944 R N 1.766 122.016 120.500 -0.417 0.000 2.521 944 R HA 0.368 4.708 4.340 -0.001 0.000 0.289 944 R C 0.301 176.463 176.300 -0.229 0.000 0.936 944 R CA 0.219 56.086 56.100 -0.390 0.000 1.089 944 R CB 1.129 31.208 30.300 -0.368 0.000 1.348 944 R HN 0.717 nan 8.270 nan 0.000 0.536 945 S N -1.732 113.852 115.700 -0.194 0.000 2.655 945 S HA 0.171 4.640 4.470 -0.001 0.000 0.266 945 S C 0.458 175.029 174.600 -0.048 0.000 1.149 945 S CA -0.373 57.763 58.200 -0.106 0.000 0.818 945 S CB 1.089 64.235 63.200 -0.090 0.000 1.130 945 S HN -0.003 nan 8.310 nan 0.000 0.476 946 T N 1.700 116.258 114.554 0.008 0.000 2.929 946 T HA -0.025 4.324 4.350 -0.001 0.000 0.271 946 T C 0.535 175.361 174.700 0.211 0.000 1.085 946 T CA 1.833 63.981 62.100 0.079 0.000 1.125 946 T CB -0.464 68.429 68.868 0.042 0.000 0.874 946 T HN 0.703 nan 8.240 nan 0.000 0.494 947 D N -0.654 119.827 120.400 0.134 0.000 2.594 947 D HA 0.223 4.863 4.640 -0.001 0.000 0.256 947 D C -0.316 175.988 176.300 0.006 0.000 1.393 947 D CA -0.467 53.660 54.000 0.211 0.000 0.797 947 D CB -0.484 40.411 40.800 0.159 0.000 1.110 947 D HN 0.219 nan 8.370 nan 0.000 0.495 948 L N 0.666 121.782 121.223 -0.177 0.000 2.385 948 L HA 0.590 4.929 4.340 -0.001 0.000 0.273 948 L C -1.725 174.864 176.870 -0.469 0.000 0.990 948 L CA -0.662 54.019 54.840 -0.265 0.000 0.821 948 L CB 1.798 43.759 42.059 -0.163 0.000 1.279 948 L HN 0.017 nan 8.230 nan 0.000 0.412 949 L N 3.411 124.336 121.223 -0.497 0.000 2.365 949 L HA 0.575 4.914 4.340 -0.001 0.000 0.273 949 L C -0.124 176.594 176.870 -0.254 0.000 1.000 949 L CA -0.663 53.858 54.840 -0.531 0.000 0.819 949 L CB 2.008 43.587 42.059 -0.800 0.000 1.284 949 L HN 0.655 nan 8.230 nan 0.000 0.418 950 S N 3.780 119.412 115.700 -0.114 0.000 2.457 950 S HA 0.639 5.109 4.470 -0.001 0.000 0.289 950 S C -0.643 174.039 174.600 0.138 0.000 1.163 950 S CA -0.521 57.703 58.200 0.040 0.000 1.078 950 S CB 0.259 63.553 63.200 0.156 0.000 0.987 950 S HN 0.485 nan 8.310 nan 0.000 0.482 951 L N 5.321 126.600 121.223 0.094 0.000 2.384 951 L HA 0.461 4.801 4.340 -0.001 0.000 0.261 951 L C 1.323 178.262 176.870 0.115 0.000 1.024 951 L CA -0.739 54.173 54.840 0.120 0.000 0.899 951 L CB 0.985 43.074 42.059 0.049 0.000 1.243 951 L HN 0.848 nan 8.230 nan 0.000 0.449 952 A N 2.655 125.562 122.820 0.146 0.000 1.971 952 A HA -0.171 4.149 4.320 -0.001 0.000 0.222 952 A C 0.773 178.436 177.584 0.133 0.000 1.182 952 A CA 1.803 53.925 52.037 0.141 0.000 0.649 952 A CB -0.347 18.735 19.000 0.137 0.000 0.818 952 A HN 0.685 nan 8.150 nan 0.000 0.458 953 N N -2.653 116.103 118.700 0.094 0.000 2.242 953 N HA 0.588 5.327 4.740 -0.001 0.000 0.292 953 N C -1.580 173.917 175.510 -0.021 0.000 1.125 953 N CA -0.452 52.608 53.050 0.018 0.000 0.783 953 N CB 1.910 40.422 38.487 0.043 0.000 1.558 953 N HN 0.178 nan 8.380 nan 0.000 0.472 954 I N 1.703 122.178 120.570 -0.158 0.000 2.447 954 I HA 0.446 4.616 4.170 -0.001 0.000 0.287 954 I C -1.035 175.017 176.117 -0.108 0.000 1.023 954 I CA -0.610 60.586 61.300 -0.173 0.000 1.083 954 I CB 0.723 38.437 38.000 -0.478 0.000 1.245 954 I HN 0.556 nan 8.210 nan 0.000 0.434 955 N N 7.806 126.576 118.700 0.117 0.000 2.384 955 N HA 0.510 5.250 4.740 -0.001 0.000 0.301 955 N C -2.539 173.199 175.510 0.380 0.000 1.133 955 N CA -1.645 51.544 53.050 0.230 0.000 0.853 955 N CB 2.158 40.738 38.487 0.154 0.000 1.241 955 N HN 0.357 nan 8.380 nan 0.000 0.502 956 P HA 0.021 nan 4.420 nan 0.000 0.242 956 P C -0.268 177.210 177.300 0.297 0.000 1.197 956 P CA 0.824 64.043 63.100 0.198 0.000 0.765 956 P CB 0.293 31.949 31.700 -0.073 0.000 0.936 957 D N -0.599 119.955 120.400 0.257 0.000 2.398 957 D HA 0.168 4.808 4.640 -0.001 0.000 0.210 957 D C 0.783 177.100 176.300 0.028 0.000 1.094 957 D CA -0.007 54.116 54.000 0.206 0.000 0.839 957 D CB 0.504 41.363 40.800 0.099 0.000 0.963 957 D HN 0.105 nan 8.370 nan 0.000 0.506 958 A N 0.791 123.647 122.820 0.060 0.000 2.331 958 A HA 0.616 4.935 4.320 -0.001 0.000 0.283 958 A C 0.719 178.167 177.584 -0.226 0.000 1.142 958 A CA -0.154 51.791 52.037 -0.154 0.000 0.812 958 A CB 0.837 19.744 19.000 -0.155 0.000 1.074 958 A HN 0.098 nan 8.150 nan 0.000 0.497 959 G N 0.160 108.695 108.800 -0.442 0.000 2.489 959 G HA2 0.707 4.666 3.960 -0.001 0.000 0.327 959 G HA3 0.707 4.666 3.960 -0.001 0.000 0.327 959 G C -0.999 173.589 174.900 -0.520 0.000 1.189 959 G CA -0.532 44.387 45.100 -0.301 0.000 0.962 959 G HN 0.502 nan 8.290 nan 0.000 0.486 960 F N -0.681 119.336 119.950 0.111 0.000 2.643 960 F HA 0.782 5.309 4.527 -0.001 0.000 0.314 960 F C 0.326 176.244 175.800 0.196 0.000 1.096 960 F CA -0.672 57.451 58.000 0.205 0.000 0.953 960 F CB 2.519 41.671 39.000 0.253 0.000 1.345 960 F HN 0.759 nan 8.300 nan 0.000 0.468 961 A N 0.622 123.723 122.820 0.469 0.000 2.587 961 A HA 0.878 5.197 4.320 -0.001 0.000 0.293 961 A C -2.061 175.723 177.584 0.335 0.000 1.087 961 A CA -0.888 51.342 52.037 0.320 0.000 0.692 961 A CB 2.082 21.205 19.000 0.204 0.000 1.291 961 A HN 1.000 nan 8.150 nan 0.000 0.407 962 V N 0.680 120.686 119.914 0.155 0.000 2.852 962 V HA 0.526 4.646 4.120 -0.001 0.000 0.300 962 V C -0.902 175.163 176.094 -0.048 0.000 1.205 962 V CA -0.332 61.924 62.300 -0.073 0.000 0.940 962 V CB 1.810 33.300 31.823 -0.555 0.000 1.047 962 V HN 1.197 nan 8.190 nan 0.000 0.429 963 Q N 4.821 124.619 119.800 -0.004 0.000 2.259 963 Q HA 0.717 5.057 4.340 -0.001 0.000 0.249 963 Q C -1.440 174.539 176.000 -0.035 0.000 0.914 963 Q CA -0.462 55.343 55.803 0.003 0.000 0.904 963 Q CB 1.588 30.365 28.738 0.065 0.000 1.213 963 Q HN 0.791 nan 8.270 nan 0.000 0.428 964 L N 1.536 122.735 121.223 -0.040 0.000 2.286 964 L HA 0.693 5.032 4.340 -0.001 0.000 0.265 964 L C -0.382 176.492 176.870 0.006 0.000 1.012 964 L CA -0.914 53.926 54.840 -0.000 0.000 0.818 964 L CB 2.125 44.185 42.059 0.002 0.000 1.337 964 L HN 0.816 nan 8.230 nan 0.000 0.438 965 S N -0.381 115.349 115.700 0.051 0.000 2.618 965 S HA 0.708 5.177 4.470 -0.001 0.000 0.277 965 S C -0.955 173.677 174.600 0.053 0.000 1.138 965 S CA -0.782 57.441 58.200 0.039 0.000 0.844 965 S CB 1.828 65.078 63.200 0.084 0.000 1.127 965 S HN 0.448 nan 8.310 nan 0.000 0.474 966 I N 2.476 123.069 120.570 0.038 0.000 2.371 966 I HA 0.338 4.507 4.170 -0.001 0.000 0.282 966 I C 0.580 176.717 176.117 0.033 0.000 1.031 966 I CA -0.490 60.832 61.300 0.037 0.000 1.180 966 I CB 1.435 39.450 38.000 0.026 0.000 1.336 966 I HN 0.716 nan 8.210 nan 0.000 0.467 967 E N 4.088 124.310 120.200 0.037 0.000 2.170 967 E HA 0.077 4.427 4.350 -0.001 0.000 0.191 967 E C 0.010 176.624 176.600 0.024 0.000 0.981 967 E CA 0.854 57.273 56.400 0.032 0.000 0.830 967 E CB 0.375 30.095 29.700 0.033 0.000 0.775 967 E HN 0.615 nan 8.360 nan 0.000 0.470 968 E N 0.500 120.713 120.200 0.023 0.000 2.256 968 E HA 0.315 4.664 4.350 -0.001 0.000 0.268 968 E C -0.985 175.626 176.600 0.020 0.000 0.877 968 E CA -0.377 56.035 56.400 0.020 0.000 0.757 968 E CB 2.071 31.784 29.700 0.021 0.000 1.183 968 E HN -0.164 nan 8.360 nan 0.000 0.418 969 S N 2.159 117.869 115.700 0.015 0.000 2.558 969 S HA -0.008 4.461 4.470 -0.001 0.000 0.293 969 S C 0.619 175.229 174.600 0.017 0.000 1.292 969 S CA 0.011 58.218 58.200 0.012 0.000 1.063 969 S CB 0.114 63.317 63.200 0.006 0.000 0.831 969 S HN 0.368 nan 8.310 nan 0.000 0.499 970 L N 3.573 124.805 121.223 0.015 0.000 2.727 970 L HA 0.145 4.484 4.340 -0.001 0.000 0.237 970 L C 1.616 178.492 176.870 0.010 0.000 1.370 970 L CA -0.290 54.563 54.840 0.022 0.000 1.248 970 L CB -1.136 40.932 42.059 0.015 0.000 1.556 970 L HN 0.827 nan 8.230 nan 0.000 0.420 971 T N -5.986 108.569 114.554 0.003 0.000 3.065 971 T HA 0.002 4.351 4.350 -0.001 0.000 0.252 971 T C 1.164 175.840 174.700 -0.041 0.000 1.099 971 T CA -0.056 62.034 62.100 -0.016 0.000 1.063 971 T CB 0.146 69.004 68.868 -0.017 0.000 0.948 971 T HN 0.186 nan 8.240 nan 0.000 0.506 972 D N 2.648 123.021 120.400 -0.045 0.000 2.144 972 D HA 0.020 4.659 4.640 -0.001 0.000 0.199 972 D C 1.333 177.509 176.300 -0.207 0.000 0.984 972 D CA 1.610 55.522 54.000 -0.147 0.000 0.834 972 D CB -0.048 40.643 40.800 -0.183 0.000 0.955 972 D HN 0.709 nan 8.370 nan 0.000 0.465 973 T N -4.123 110.368 114.554 -0.106 0.000 2.787 973 T HA 0.380 4.730 4.350 -0.001 0.000 0.297 973 T C 0.552 175.239 174.700 -0.022 0.000 1.221 973 T CA -0.369 61.684 62.100 -0.078 0.000 1.006 973 T CB 1.622 70.462 68.868 -0.047 0.000 1.328 973 T HN -0.120 nan 8.240 nan 0.000 0.509 974 S N -0.188 115.502 115.700 -0.015 0.000 2.556 974 S HA 0.409 4.878 4.470 -0.001 0.000 0.216 974 S C 0.244 174.841 174.600 -0.006 0.000 0.970 974 S CA -0.537 57.657 58.200 -0.009 0.000 0.912 974 S CB -0.693 62.502 63.200 -0.008 0.000 0.790 974 S HN 0.605 nan 8.310 nan 0.000 0.504 975 L N 1.673 122.898 121.223 0.002 0.000 2.388 975 L HA 0.757 5.097 4.340 -0.001 0.000 0.264 975 L C -0.829 176.020 176.870 -0.034 0.000 0.998 975 L CA -1.230 53.599 54.840 -0.019 0.000 0.817 975 L CB 2.387 44.441 42.059 -0.008 0.000 1.338 975 L HN 0.105 nan 8.230 nan 0.000 0.414 976 V N -1.357 118.490 119.914 -0.111 0.000 3.001 976 V HA 0.759 4.878 4.120 -0.001 0.000 0.314 976 V C -0.799 175.083 176.094 -0.354 0.000 1.099 976 V CA -0.823 61.343 62.300 -0.224 0.000 0.989 976 V CB 1.824 33.483 31.823 -0.273 0.000 1.040 976 V HN 0.934 nan 8.190 nan 0.000 0.434 977 C N 3.053 122.059 119.300 -0.489 0.000 2.712 977 C HA 0.906 5.365 4.460 -0.001 0.000 0.308 977 C C -1.312 173.305 174.990 -0.622 0.000 1.201 977 C CA -0.448 58.314 59.018 -0.427 0.000 1.554 977 C CB 1.104 28.747 27.740 -0.162 0.000 2.117 977 C HN 0.814 nan 8.230 nan 0.000 0.480 978 F N 3.111 123.080 119.950 0.032 0.000 2.529 978 F HA 0.613 5.139 4.527 -0.001 0.000 0.320 978 F C 0.012 176.032 175.800 0.367 0.000 1.118 978 F CA -0.303 57.787 58.000 0.150 0.000 0.915 978 F CB 1.616 40.625 39.000 0.016 0.000 1.161 978 F HN 0.601 nan 8.300 nan 0.000 0.445 979 Q N 2.125 122.244 119.800 0.531 0.000 2.275 979 Q HA 0.410 4.749 4.340 -0.001 0.000 0.266 979 Q C -1.462 174.719 176.000 0.301 0.000 1.002 979 Q CA -0.481 55.589 55.803 0.446 0.000 0.761 979 Q CB 2.002 30.938 28.738 0.329 0.000 1.255 979 Q HN 0.724 nan 8.270 nan 0.000 0.446 980 T N 2.044 116.675 114.554 0.128 0.000 2.806 980 T HA 0.643 4.993 4.350 -0.001 0.000 0.290 980 T C -0.727 173.969 174.700 -0.007 0.000 0.966 980 T CA -0.268 61.800 62.100 -0.054 0.000 1.060 980 T CB 1.135 69.777 68.868 -0.376 0.000 0.927 980 T HN 0.568 nan 8.240 nan 0.000 0.485 981 A N 3.594 126.416 122.820 0.003 0.000 2.311 981 A HA 0.690 5.010 4.320 -0.001 0.000 0.306 981 A C -0.872 176.686 177.584 -0.044 0.000 1.189 981 A CA -0.678 51.329 52.037 -0.050 0.000 0.791 981 A CB 0.593 19.649 19.000 0.094 0.000 1.172 981 A HN 0.708 nan 8.150 nan 0.000 0.481 982 L N 3.914 125.102 121.223 -0.059 0.000 2.295 982 L HA 0.657 4.996 4.340 -0.001 0.000 0.281 982 L C -1.088 175.815 176.870 0.055 0.000 1.018 982 L CA -0.604 54.225 54.840 -0.017 0.000 0.841 982 L CB 1.179 43.228 42.059 -0.015 0.000 1.218 982 L HN 0.644 nan 8.230 nan 0.000 0.424 983 L N 7.005 128.254 121.223 0.043 0.000 2.289 983 L HA 0.690 5.029 4.340 -0.001 0.000 0.285 983 L C -1.014 175.919 176.870 0.106 0.000 1.049 983 L CA -0.030 54.828 54.840 0.030 0.000 0.804 983 L CB 0.864 42.950 42.059 0.045 0.000 1.195 983 L HN 0.661 nan 8.230 nan 0.000 0.428 984 Y N 0.552 120.817 120.300 -0.057 0.000 2.725 984 Y HA 0.688 5.237 4.550 -0.001 0.000 0.333 984 Y C -1.054 174.856 175.900 0.018 0.000 1.242 984 Y CA -1.140 56.929 58.100 -0.051 0.000 1.059 984 Y CB 0.930 39.284 38.460 -0.177 0.000 1.306 984 Y HN 0.399 nan 8.280 nan 0.000 0.454 985 T N 2.705 117.386 114.554 0.212 0.000 2.749 985 T HA 0.448 4.797 4.350 -0.001 0.000 0.287 985 T C -0.098 174.839 174.700 0.394 0.000 0.970 985 T CA -0.511 61.696 62.100 0.178 0.000 0.980 985 T CB 0.593 69.590 68.868 0.215 0.000 0.924 985 T HN 0.859 nan 8.240 nan 0.000 0.456 986 S N 2.342 118.207 115.700 0.274 0.000 2.608 986 S HA 0.123 4.593 4.470 -0.001 0.000 0.261 986 S C 1.710 176.542 174.600 0.387 0.000 1.314 986 S CA -0.195 58.254 58.200 0.415 0.000 0.992 986 S CB 0.600 63.974 63.200 0.290 0.000 0.935 986 S HN 0.714 nan 8.310 nan 0.000 0.564 987 S N 0.042 115.965 115.700 0.372 0.000 2.547 987 S HA 0.065 4.534 4.470 -0.001 0.000 0.235 987 S C 0.915 175.658 174.600 0.239 0.000 0.980 987 S CA 0.161 58.592 58.200 0.385 0.000 0.941 987 S CB -0.330 63.075 63.200 0.340 0.000 0.763 987 S HN 0.645 nan 8.310 nan 0.000 0.532 988 K N 0.607 121.119 120.400 0.188 0.000 2.373 988 K HA 0.328 4.648 4.320 -0.001 0.000 0.202 988 K C 1.142 177.797 176.600 0.090 0.000 1.025 988 K CA 0.453 56.812 56.287 0.119 0.000 1.115 988 K CB 0.224 32.783 32.500 0.099 0.000 0.858 988 K HN 0.508 nan 8.250 nan 0.000 0.525 989 G N 1.730 110.593 108.800 0.106 0.000 2.132 989 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.234 989 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.234 989 G C -0.353 174.576 174.900 0.049 0.000 0.989 989 G CA -0.108 45.033 45.100 0.068 0.000 0.676 989 G HN 0.344 nan 8.290 nan 0.000 0.522 990 E N 0.084 120.312 120.200 0.047 0.000 2.191 990 E HA 0.498 4.847 4.350 -0.001 0.000 0.274 990 E C 0.116 176.681 176.600 -0.058 0.000 0.948 990 E CA -1.039 55.363 56.400 0.002 0.000 0.802 990 E CB 1.006 30.706 29.700 -0.001 0.000 1.137 990 E HN 0.039 nan 8.360 nan 0.000 0.397 991 R N 2.815 123.271 120.500 -0.073 0.000 2.265 991 R HA 0.367 4.706 4.340 -0.001 0.000 0.314 991 R C -0.049 176.104 176.300 -0.246 0.000 1.053 991 R CA -0.068 55.948 56.100 -0.140 0.000 0.931 991 R CB 0.613 30.889 30.300 -0.040 0.000 1.024 991 R HN 0.471 nan 8.270 nan 0.000 0.457 992 R N 2.637 122.841 120.500 -0.493 0.000 2.795 992 R HA 0.595 4.935 4.340 -0.001 0.000 0.275 992 R C -0.313 175.726 176.300 -0.435 0.000 0.981 992 R CA -0.932 54.880 56.100 -0.481 0.000 0.917 992 R CB 2.061 32.018 30.300 -0.572 0.000 1.202 992 R HN 0.437 nan 8.270 nan 0.000 0.469 993 I N 1.863 122.310 120.570 -0.205 0.000 2.448 993 I HA 0.364 4.533 4.170 -0.001 0.000 0.281 993 I C -0.220 175.864 176.117 -0.056 0.000 1.027 993 I CA -0.593 60.630 61.300 -0.129 0.000 1.111 993 I CB 1.826 39.704 38.000 -0.204 0.000 1.236 993 I HN 0.305 nan 8.210 nan 0.000 0.452 994 R N 5.543 126.042 120.500 -0.001 0.000 2.254 994 R HA 0.681 5.021 4.340 -0.001 0.000 0.318 994 R C -1.337 174.808 176.300 -0.260 0.000 1.031 994 R CA -0.354 55.695 56.100 -0.085 0.000 0.905 994 R CB 1.267 31.612 30.300 0.076 0.000 1.050 994 R HN 0.441 nan 8.270 nan 0.000 0.456 995 V N 4.851 124.541 119.914 -0.374 0.000 2.604 995 V HA 0.374 4.494 4.120 -0.001 0.000 0.305 995 V C -0.614 175.243 176.094 -0.396 0.000 1.043 995 V CA -0.807 61.290 62.300 -0.339 0.000 0.888 995 V CB 1.813 33.498 31.823 -0.231 0.000 0.995 995 V HN 0.795 nan 8.190 nan 0.000 0.429 996 H N 1.924 121.011 119.070 0.029 0.000 2.609 996 H HA 0.524 5.079 4.556 -0.001 0.000 0.344 996 H C -0.738 174.756 175.328 0.277 0.000 1.040 996 H CA -0.420 55.702 56.048 0.123 0.000 1.216 996 H CB 2.254 32.043 29.762 0.045 0.000 1.529 996 H HN 0.547 nan 8.280 nan 0.000 0.519 997 T N 4.077 118.906 114.554 0.458 0.000 2.786 997 T HA 0.292 4.641 4.350 -0.001 0.000 0.283 997 T C -0.267 174.715 174.700 0.470 0.000 0.992 997 T CA -0.632 61.758 62.100 0.484 0.000 0.954 997 T CB 1.213 70.354 68.868 0.455 0.000 0.934 997 T HN 0.227 nan 8.240 nan 0.000 0.440 998 L N 3.510 124.941 121.223 0.347 0.000 2.341 998 L HA 0.785 5.125 4.340 -0.001 0.000 0.278 998 L C -0.796 175.997 176.870 -0.129 0.000 1.005 998 L CA -0.586 54.304 54.840 0.084 0.000 0.818 998 L CB 1.226 43.209 42.059 -0.127 0.000 1.259 998 L HN 0.840 nan 8.230 nan 0.000 0.418 999 C N 6.432 125.475 119.300 -0.427 0.000 2.417 999 C HA 0.816 5.275 4.460 -0.001 0.000 0.324 999 C C -0.763 174.053 174.990 -0.290 0.000 1.240 999 C CA -0.754 57.907 59.018 -0.595 0.000 1.632 999 C CB 0.091 26.955 27.740 -1.461 0.000 2.241 999 C HN 0.856 nan 8.230 nan 0.000 0.499 1000 L N 7.061 128.180 121.223 -0.173 0.000 2.409 1000 L HA 0.628 4.968 4.340 -0.001 0.000 0.262 1000 L C -2.278 174.555 176.870 -0.061 0.000 0.992 1000 L CA -1.673 53.124 54.840 -0.072 0.000 0.817 1000 L CB 2.693 44.769 42.059 0.028 0.000 1.350 1000 L HN 0.488 nan 8.230 nan 0.000 0.411 1001 P HA 0.202 nan 4.420 nan 0.000 0.282 1001 P C -0.910 176.380 177.300 -0.017 0.000 1.249 1001 P CA -0.350 62.735 63.100 -0.024 0.000 0.806 1001 P CB 1.889 33.580 31.700 -0.014 0.000 0.984 1002 V N 3.389 123.294 119.914 -0.015 0.000 2.481 1002 V HA 0.375 4.494 4.120 -0.001 0.000 0.286 1002 V C 0.789 176.874 176.094 -0.015 0.000 1.042 1002 V CA -0.426 61.867 62.300 -0.013 0.000 0.928 1002 V CB 1.520 33.336 31.823 -0.011 0.000 0.986 1002 V HN 0.501 nan 8.190 nan 0.000 0.462 1003 V N 1.781 121.683 119.914 -0.020 0.000 3.074 1003 V HA 0.775 4.895 4.120 -0.001 0.000 0.314 1003 V C 0.337 176.415 176.094 -0.027 0.000 1.117 1003 V CA 0.054 62.341 62.300 -0.022 0.000 1.014 1003 V CB 2.038 33.844 31.823 -0.027 0.000 1.057 1003 V HN 0.842 nan 8.190 nan 0.000 0.438 1004 S N -0.373 115.313 115.700 -0.024 0.000 2.603 1004 S HA 0.310 4.780 4.470 -0.001 0.000 0.232 1004 S C 0.650 175.234 174.600 -0.026 0.000 1.016 1004 S CA 0.327 58.513 58.200 -0.024 0.000 0.976 1004 S CB -0.284 62.906 63.200 -0.017 0.000 0.921 1004 S HN 1.664 nan 8.310 nan 0.000 0.516 1005 S N 0.582 116.266 115.700 -0.028 0.000 2.537 1005 S HA 0.639 5.108 4.470 -0.001 0.000 0.301 1005 S C 0.735 175.308 174.600 -0.046 0.000 1.092 1005 S CA -0.907 57.280 58.200 -0.023 0.000 1.048 1005 S CB 1.245 64.442 63.200 -0.004 0.000 1.053 1005 S HN 0.193 nan 8.310 nan 0.000 0.501 1006 L N 1.765 122.965 121.223 -0.038 0.000 2.012 1006 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 1006 L C 3.046 179.892 176.870 -0.040 0.000 1.073 1006 L CA 1.826 56.612 54.840 -0.089 0.000 0.748 1006 L CB -1.013 41.068 42.059 0.037 0.000 0.891 1006 L HN 1.005 nan 8.230 nan 0.000 0.431 1007 A N 0.061 122.939 122.820 0.097 0.000 1.884 1007 A HA -0.318 4.001 4.320 -0.001 0.000 0.219 1007 A C 1.878 179.525 177.584 0.104 0.000 1.197 1007 A CA 2.418 54.560 52.037 0.174 0.000 0.637 1007 A CB -0.786 18.283 19.000 0.115 0.000 0.827 1007 A HN 0.418 nan 8.150 nan 0.000 0.450 1008 D N -0.529 119.887 120.400 0.026 0.000 2.149 1008 D HA -0.100 4.540 4.640 -0.001 0.000 0.198 1008 D C 2.030 178.305 176.300 -0.042 0.000 0.990 1008 D CA 1.391 55.392 54.000 0.001 0.000 0.839 1008 D CB -0.493 40.299 40.800 -0.013 0.000 0.948 1008 D HN 0.236 nan 8.370 nan 0.000 0.460 1009 V N 0.432 120.267 119.914 -0.133 0.000 2.343 1009 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 1009 V C 2.004 177.972 176.094 -0.209 0.000 1.051 1009 V CA 1.389 63.554 62.300 -0.224 0.000 1.036 1009 V CB -0.679 30.913 31.823 -0.384 0.000 0.654 1009 V HN 0.180 nan 8.190 nan 0.000 0.451 1010 Y N 0.561 120.862 120.300 0.002 0.000 2.373 1010 Y HA 0.021 4.570 4.550 -0.001 0.000 0.293 1010 Y C 2.472 178.352 175.900 -0.033 0.000 1.129 1010 Y CA 0.571 58.659 58.100 -0.021 0.000 1.226 1010 Y CB -1.061 37.416 38.460 0.029 0.000 1.000 1010 Y HN 0.188 nan 8.280 nan 0.000 0.549 1011 A N -0.282 122.608 122.820 0.116 0.000 1.972 1011 A HA -0.040 4.279 4.320 -0.001 0.000 0.219 1011 A C 2.386 179.988 177.584 0.030 0.000 1.169 1011 A CA 1.686 53.762 52.037 0.066 0.000 0.635 1011 A CB -1.091 17.941 19.000 0.053 0.000 0.810 1011 A HN 0.416 nan 8.150 nan 0.000 0.446 1012 G N -1.198 107.607 108.800 0.008 0.000 3.233 1012 G HA2 0.370 4.330 3.960 -0.001 0.000 0.234 1012 G HA3 0.370 4.330 3.960 -0.001 0.000 0.234 1012 G C 0.332 175.221 174.900 -0.019 0.000 1.137 1012 G CA 0.462 45.559 45.100 -0.007 0.000 0.763 1012 G HN 0.382 nan 8.290 nan 0.000 0.549 1013 V N 0.854 120.758 119.914 -0.018 0.000 2.740 1013 V HA 0.271 4.390 4.120 -0.001 0.000 0.303 1013 V C -0.717 175.358 176.094 -0.032 0.000 1.054 1013 V CA -0.339 61.936 62.300 -0.041 0.000 1.106 1013 V CB 1.633 33.425 31.823 -0.052 0.000 0.957 1013 V HN 0.177 nan 8.190 nan 0.000 0.486 1014 D N 4.991 125.366 120.400 -0.041 0.000 2.473 1014 D HA 0.143 4.783 4.640 -0.001 0.000 0.226 1014 D C 0.628 176.917 176.300 -0.019 0.000 1.089 1014 D CA 0.010 54.001 54.000 -0.016 0.000 0.883 1014 D CB 1.509 42.296 40.800 -0.020 0.000 1.029 1014 D HN 0.391 nan 8.370 nan 0.000 0.517 1015 V N 4.530 124.451 119.914 0.012 0.000 2.332 1015 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 1015 V C 1.986 178.148 176.094 0.114 0.000 1.055 1015 V CA 2.001 64.336 62.300 0.058 0.000 1.038 1015 V CB -0.095 31.819 31.823 0.151 0.000 0.651 1015 V HN 0.586 nan 8.190 nan 0.000 0.450 1016 Q N -0.487 119.359 119.800 0.077 0.000 2.119 1016 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 1016 Q C 2.372 178.346 176.000 -0.044 0.000 0.972 1016 Q CA 1.602 57.383 55.803 -0.037 0.000 0.847 1016 Q CB -0.368 28.327 28.738 -0.072 0.000 0.903 1016 Q HN 0.758 nan 8.270 nan 0.000 0.433 1017 A N 1.309 124.115 122.820 -0.024 0.000 1.902 1017 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 1017 A C 2.332 179.901 177.584 -0.025 0.000 1.181 1017 A CA 1.582 53.600 52.037 -0.032 0.000 0.623 1017 A CB -0.760 18.217 19.000 -0.038 0.000 0.818 1017 A HN 0.388 nan 8.150 nan 0.000 0.443 1018 A N -0.034 122.776 122.820 -0.017 0.000 1.908 1018 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 1018 A C 2.037 179.668 177.584 0.077 0.000 1.181 1018 A CA 1.660 53.696 52.037 -0.001 0.000 0.627 1018 A CB -0.508 18.448 19.000 -0.074 0.000 0.818 1018 A HN 0.407 nan 8.150 nan 0.000 0.445 1019 I N -0.117 120.521 120.570 0.113 0.000 2.226 1019 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 1019 I C 2.606 178.731 176.117 0.013 0.000 1.100 1019 I CA 1.156 62.523 61.300 0.112 0.000 1.374 1019 I CB -1.545 36.478 38.000 0.039 0.000 1.057 1019 I HN 0.385 nan 8.210 nan 0.000 0.413 1020 C N 0.223 119.504 119.300 -0.032 0.000 2.440 1020 C HA -0.137 4.322 4.460 -0.001 0.000 0.278 1020 C C 2.807 177.761 174.990 -0.060 0.000 1.295 1020 C CA 0.261 59.248 59.018 -0.051 0.000 1.738 1020 C CB -1.080 26.622 27.740 -0.063 0.000 1.987 1020 C HN 0.485 nan 8.230 nan 0.000 0.492 1021 L N 0.546 121.737 121.223 -0.053 0.000 2.056 1021 L HA -0.044 4.296 4.340 -0.001 0.000 0.207 1021 L C 2.270 179.074 176.870 -0.111 0.000 1.078 1021 L CA 1.785 56.570 54.840 -0.091 0.000 0.749 1021 L CB -0.695 41.332 42.059 -0.052 0.000 0.901 1021 L HN 0.287 nan 8.230 nan 0.000 0.433 1022 L N -0.701 120.499 121.223 -0.038 0.000 2.131 1022 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 1022 L C 2.631 179.455 176.870 -0.076 0.000 1.092 1022 L CA 1.029 55.849 54.840 -0.033 0.000 0.759 1022 L CB -0.829 41.253 42.059 0.040 0.000 0.903 1022 L HN 0.394 nan 8.230 nan 0.000 0.435 1023 A N 0.090 122.885 122.820 -0.042 0.000 1.902 1023 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 1023 A C 2.089 179.696 177.584 0.039 0.000 1.181 1023 A CA 1.754 53.813 52.037 0.036 0.000 0.623 1023 A CB -0.546 18.501 19.000 0.079 0.000 0.818 1023 A HN 0.448 nan 8.150 nan 0.000 0.443 1024 N N -0.471 118.164 118.700 -0.109 0.000 2.142 1024 N HA -0.108 4.632 4.740 -0.001 0.000 0.186 1024 N C 1.807 177.204 175.510 -0.188 0.000 1.023 1024 N CA 1.705 54.619 53.050 -0.227 0.000 0.852 1024 N CB -0.302 37.804 38.487 -0.635 0.000 0.998 1024 N HN 0.541 nan 8.380 nan 0.000 0.424 1025 M N 0.546 120.029 119.600 -0.196 0.000 2.229 1025 M HA -0.054 4.425 4.480 -0.001 0.000 0.264 1025 M C 2.284 178.582 176.300 -0.004 0.000 1.063 1025 M CA 1.084 56.368 55.300 -0.027 0.000 1.114 1025 M CB -0.143 32.440 32.600 -0.027 0.000 1.387 1025 M HN 0.104 nan 8.290 nan 0.000 0.420 1026 A N -0.257 122.514 122.820 -0.082 0.000 1.968 1026 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 1026 A C 2.252 179.872 177.584 0.060 0.000 1.169 1026 A CA 1.176 53.093 52.037 -0.201 0.000 0.638 1026 A CB -0.800 17.757 19.000 -0.738 0.000 0.812 1026 A HN 0.272 nan 8.150 nan 0.000 0.446 1027 V N 0.681 120.740 119.914 0.242 0.000 2.295 1027 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 1027 V C 2.194 178.394 176.094 0.175 0.000 1.049 1027 V CA 2.389 64.860 62.300 0.285 0.000 1.024 1027 V CB -0.764 31.166 31.823 0.179 0.000 0.648 1027 V HN 0.497 nan 8.190 nan 0.000 0.447 1028 D N -0.346 120.149 120.400 0.158 0.000 2.117 1028 D HA -0.183 4.456 4.640 -0.001 0.000 0.197 1028 D C 2.314 178.682 176.300 0.113 0.000 0.987 1028 D CA 1.284 55.373 54.000 0.149 0.000 0.829 1028 D CB -0.297 40.621 40.800 0.197 0.000 0.961 1028 D HN 0.214 nan 8.370 nan 0.000 0.460 1029 R N 0.789 121.343 120.500 0.089 0.000 2.092 1029 R HA 0.011 4.351 4.340 -0.001 0.000 0.231 1029 R C 2.089 178.426 176.300 0.063 0.000 1.119 1029 R CA 1.303 57.438 56.100 0.059 0.000 0.970 1029 R CB -0.568 29.742 30.300 0.018 0.000 0.864 1029 R HN -0.048 nan 8.270 nan 0.000 0.440 1030 S N -0.602 115.152 115.700 0.090 0.000 2.368 1030 S HA -0.093 4.377 4.470 -0.001 0.000 0.225 1030 S C 1.869 176.520 174.600 0.085 0.000 1.030 1030 S CA 1.392 59.656 58.200 0.107 0.000 0.999 1030 S CB -0.214 63.105 63.200 0.199 0.000 0.844 1030 S HN 0.158 nan 8.310 nan 0.000 0.459 1031 V N 2.052 122.020 119.914 0.090 0.000 2.323 1031 V HA -0.096 4.024 4.120 -0.001 0.000 0.244 1031 V C 2.591 178.723 176.094 0.065 0.000 1.041 1031 V CA 1.856 64.201 62.300 0.074 0.000 1.025 1031 V CB -0.831 31.041 31.823 0.081 0.000 0.656 1031 V HN 0.677 nan 8.190 nan 0.000 0.451 1032 S N -1.831 113.911 115.700 0.070 0.000 2.470 1032 S HA -0.030 4.439 4.470 -0.001 0.000 0.225 1032 S C 1.830 176.459 174.600 0.049 0.000 1.006 1032 S CA 1.259 59.496 58.200 0.062 0.000 0.934 1032 S CB 0.307 63.550 63.200 0.071 0.000 0.778 1032 S HN 0.431 nan 8.310 nan 0.000 0.517 1033 S N 0.538 116.266 115.700 0.045 0.000 3.393 1033 S HA 0.545 5.015 4.470 -0.001 0.000 0.209 1033 S C 0.043 174.660 174.600 0.028 0.000 0.897 1033 S CA 0.481 58.702 58.200 0.034 0.000 0.825 1033 S CB 0.576 63.796 63.200 0.032 0.000 0.898 1033 S HN 0.985 nan 8.310 nan 0.000 0.615 1034 S N -0.124 115.594 115.700 0.030 0.000 2.622 1034 S HA 0.345 4.814 4.470 -0.001 0.000 0.275 1034 S C -0.082 174.539 174.600 0.035 0.000 1.112 1034 S CA -0.279 57.937 58.200 0.026 0.000 0.837 1034 S CB 0.535 63.744 63.200 0.015 0.000 1.082 1034 S HN 0.363 nan 8.310 nan 0.000 0.456 1035 L N 2.089 123.337 121.223 0.042 0.000 2.083 1035 L HA 0.123 4.463 4.340 -0.001 0.000 0.209 1035 L C 2.553 179.442 176.870 0.031 0.000 1.083 1035 L CA 2.766 57.645 54.840 0.063 0.000 0.752 1035 L CB -1.044 41.057 42.059 0.070 0.000 0.899 1035 L HN 0.981 nan 8.230 nan 0.000 0.433 1036 S N -0.642 115.068 115.700 0.017 0.000 2.353 1036 S HA -0.224 4.246 4.470 -0.001 0.000 0.222 1036 S C 1.743 176.344 174.600 0.001 0.000 1.035 1036 S CA 1.719 59.922 58.200 0.006 0.000 1.025 1036 S CB -0.461 62.742 63.200 0.004 0.000 0.902 1036 S HN 0.616 nan 8.310 nan 0.000 0.440 1037 D N 1.273 121.676 120.400 0.004 0.000 2.144 1037 D HA -0.014 4.625 4.640 -0.001 0.000 0.199 1037 D C 2.220 178.508 176.300 -0.019 0.000 0.984 1037 D CA 1.288 55.289 54.000 0.001 0.000 0.834 1037 D CB -0.678 40.128 40.800 0.009 0.000 0.955 1037 D HN 0.504 nan 8.370 nan 0.000 0.465 1038 A N 1.092 123.892 122.820 -0.033 0.000 1.877 1038 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 1038 A C 2.209 179.699 177.584 -0.157 0.000 1.186 1038 A CA 1.274 53.251 52.037 -0.101 0.000 0.620 1038 A CB -0.416 18.519 19.000 -0.108 0.000 0.822 1038 A HN 0.118 nan 8.150 nan 0.000 0.443 1039 R N -0.302 120.132 120.500 -0.110 0.000 2.081 1039 R HA -0.110 4.230 4.340 -0.001 0.000 0.235 1039 R C 1.667 177.938 176.300 -0.049 0.000 1.131 1039 R CA 1.464 57.504 56.100 -0.100 0.000 0.960 1039 R CB -0.413 29.861 30.300 -0.043 0.000 0.856 1039 R HN 0.474 nan 8.270 nan 0.000 0.436 1040 D N 0.617 121.007 120.400 -0.017 0.000 2.117 1040 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 1040 D C 1.800 178.108 176.300 0.014 0.000 0.987 1040 D CA 1.517 55.529 54.000 0.019 0.000 0.829 1040 D CB -0.215 40.600 40.800 0.025 0.000 0.961 1040 D HN 0.258 nan 8.370 nan 0.000 0.460 1041 A N 0.625 123.436 122.820 -0.015 0.000 1.969 1041 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 1041 A C 2.398 179.971 177.584 -0.018 0.000 1.169 1041 A CA 0.739 52.768 52.037 -0.013 0.000 0.635 1041 A CB -0.653 18.332 19.000 -0.026 0.000 0.810 1041 A HN 0.187 nan 8.150 nan 0.000 0.445 1042 L N -0.656 120.530 121.223 -0.061 0.000 2.017 1042 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 1042 L C 2.533 179.397 176.870 -0.010 0.000 1.073 1042 L CA 1.142 55.938 54.840 -0.072 0.000 0.745 1042 L CB -0.539 41.427 42.059 -0.155 0.000 0.894 1042 L HN 0.249 nan 8.230 nan 0.000 0.432 1043 V N 0.041 119.985 119.914 0.050 0.000 2.343 1043 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 1043 V C 2.149 178.289 176.094 0.077 0.000 1.051 1043 V CA 1.708 64.094 62.300 0.143 0.000 1.036 1043 V CB -0.718 31.238 31.823 0.221 0.000 0.654 1043 V HN 0.488 nan 8.190 nan 0.000 0.451 1044 N N 0.643 119.378 118.700 0.058 0.000 2.289 1044 N HA -0.109 4.631 4.740 -0.001 0.000 0.184 1044 N C 1.841 177.389 175.510 0.063 0.000 1.016 1044 N CA 1.525 54.603 53.050 0.047 0.000 0.872 1044 N CB -0.453 38.058 38.487 0.040 0.000 0.973 1044 N HN 0.513 nan 8.380 nan 0.000 0.433 1045 A N 0.494 123.360 122.820 0.076 0.000 1.933 1045 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 1045 A C 2.440 180.165 177.584 0.235 0.000 1.175 1045 A CA 1.217 53.352 52.037 0.163 0.000 0.628 1045 A CB -0.598 18.523 19.000 0.202 0.000 0.814 1045 A HN 0.106 nan 8.150 nan 0.000 0.444 1046 V N -0.523 119.428 119.914 0.063 0.000 2.323 1046 V HA -0.195 3.925 4.120 -0.001 0.000 0.244 1046 V C 2.555 178.683 176.094 0.057 0.000 1.041 1046 V CA 1.816 64.132 62.300 0.027 0.000 1.025 1046 V CB -0.853 30.883 31.823 -0.145 0.000 0.656 1046 V HN 0.350 nan 8.190 nan 0.000 0.451 1047 V N 0.558 120.473 119.914 0.003 0.000 2.287 1047 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 1047 V C 2.322 178.429 176.094 0.021 0.000 1.053 1047 V CA 2.362 64.647 62.300 -0.025 0.000 1.027 1047 V CB -0.744 31.053 31.823 -0.043 0.000 0.646 1047 V HN 0.553 nan 8.190 nan 0.000 0.447 1048 D N 0.358 120.793 120.400 0.059 0.000 2.097 1048 D HA -0.124 4.515 4.640 -0.001 0.000 0.197 1048 D C 2.459 178.826 176.300 0.111 0.000 0.984 1048 D CA 1.833 55.878 54.000 0.075 0.000 0.826 1048 D CB -0.461 40.387 40.800 0.081 0.000 0.973 1048 D HN 0.594 nan 8.370 nan 0.000 0.460 1049 S N 0.508 116.306 115.700 0.164 0.000 2.368 1049 S HA -0.089 4.380 4.470 -0.001 0.000 0.225 1049 S C 2.211 176.859 174.600 0.080 0.000 1.030 1049 S CA 0.636 58.944 58.200 0.180 0.000 0.999 1049 S CB -0.729 62.608 63.200 0.228 0.000 0.844 1049 S HN 0.226 nan 8.310 nan 0.000 0.459 1050 L N 1.290 122.560 121.223 0.078 0.000 2.217 1050 L HA 0.024 4.363 4.340 -0.001 0.000 0.211 1050 L C 3.040 179.942 176.870 0.054 0.000 1.107 1050 L CA 1.085 55.955 54.840 0.049 0.000 0.783 1050 L CB -0.594 41.484 42.059 0.032 0.000 0.919 1050 L HN 0.476 nan 8.230 nan 0.000 0.442 1051 S N 0.042 115.762 115.700 0.033 0.000 2.371 1051 S HA -0.101 4.368 4.470 -0.001 0.000 0.224 1051 S C 2.171 176.783 174.600 0.020 0.000 1.029 1051 S CA 1.110 59.315 58.200 0.009 0.000 0.978 1051 S CB 0.041 63.243 63.200 0.003 0.000 0.833 1051 S HN 0.410 nan 8.310 nan 0.000 0.466 1052 A N 0.399 123.260 122.820 0.069 0.000 1.902 1052 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 1052 A C 2.040 179.686 177.584 0.104 0.000 1.181 1052 A CA 1.748 53.857 52.037 0.121 0.000 0.623 1052 A CB -1.263 17.878 19.000 0.236 0.000 0.818 1052 A HN 0.784 nan 8.150 nan 0.000 0.443 1053 Y N 0.981 121.182 120.300 -0.166 0.000 2.128 1053 Y HA -0.087 4.463 4.550 -0.001 0.000 0.284 1053 Y C 2.376 178.188 175.900 -0.146 0.000 1.154 1053 Y CA 1.471 59.346 58.100 -0.376 0.000 1.149 1053 Y CB -0.913 37.156 38.460 -0.651 0.000 0.976 1053 Y HN 0.195 nan 8.280 nan 0.000 0.505 1054 G N -0.661 107.955 108.800 -0.306 0.000 2.450 1054 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.220 1054 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.220 1054 G C 1.800 176.541 174.900 -0.265 0.000 1.130 1054 G CA 1.386 46.280 45.100 -0.342 0.000 0.760 1054 G HN 0.569 nan 8.290 nan 0.000 0.557 1055 S N 0.503 116.110 115.700 -0.155 0.000 2.474 1055 S HA -0.109 4.360 4.470 -0.001 0.000 0.235 1055 S C 2.173 176.712 174.600 -0.101 0.000 0.997 1055 S CA 1.856 60.000 58.200 -0.094 0.000 0.949 1055 S CB -0.586 62.595 63.200 -0.032 0.000 0.766 1055 S HN 0.523 nan 8.310 nan 0.000 0.517 1056 T N -0.449 114.012 114.554 -0.154 0.000 3.065 1056 T HA 0.334 4.683 4.350 -0.001 0.000 0.252 1056 T C 0.659 175.257 174.700 -0.169 0.000 1.099 1056 T CA 0.280 62.314 62.100 -0.110 0.000 1.063 1056 T CB -0.491 68.365 68.868 -0.021 0.000 0.948 1056 T HN 0.554 nan 8.240 nan 0.000 0.506 1064 A N 1.240 124.029 122.820 -0.050 0.000 2.455 1064 A HA 0.802 5.121 4.320 -0.001 0.000 0.300 1064 A C -1.264 176.287 177.584 -0.055 0.000 1.040 1064 A CA -0.609 51.398 52.037 -0.050 0.000 0.697 1064 A CB 1.487 20.472 19.000 -0.025 0.000 1.265 1064 A HN 0.781 nan 8.150 nan 0.000 0.407 1065 L N 3.750 124.928 121.223 -0.074 0.000 2.295 1065 L HA 0.480 4.819 4.340 -0.001 0.000 0.288 1065 L C -0.409 176.445 176.870 -0.026 0.000 1.079 1065 L CA 0.065 54.861 54.840 -0.074 0.000 0.830 1065 L CB 0.074 42.054 42.059 -0.132 0.000 1.200 1065 L HN 0.643 nan 8.230 nan 0.000 0.438 1066 M N 4.592 124.205 119.600 0.022 0.000 2.367 1066 M HA 0.706 5.186 4.480 -0.001 0.000 0.339 1066 M C -0.081 176.282 176.300 0.105 0.000 1.177 1066 M CA -0.431 54.920 55.300 0.086 0.000 1.068 1066 M CB 1.180 33.869 32.600 0.148 0.000 1.602 1066 M HN 0.666 nan 8.290 nan 0.000 0.457 1067 A N 4.226 127.032 122.820 -0.024 0.000 2.549 1067 A HA 0.903 5.222 4.320 -0.001 0.000 0.297 1067 A C -2.791 174.507 177.584 -0.477 0.000 1.061 1067 A CA -1.242 50.586 52.037 -0.348 0.000 0.690 1067 A CB 1.775 20.658 19.000 -0.196 0.000 1.287 1067 A HN 0.549 nan 8.150 nan 0.000 0.402 1068 P HA 0.123 nan 4.420 nan 0.000 0.274 1068 P C 0.954 178.110 177.300 -0.239 0.000 1.231 1068 P CA 0.100 62.911 63.100 -0.481 0.000 0.790 1068 P CB 1.566 32.936 31.700 -0.550 0.000 0.951 1069 S N 2.314 117.948 115.700 -0.111 0.000 2.380 1069 S HA -0.201 4.269 4.470 -0.001 0.000 0.229 1069 S C 1.987 176.552 174.600 -0.058 0.000 1.043 1069 S CA 2.432 60.596 58.200 -0.060 0.000 1.038 1069 S CB -1.121 62.067 63.200 -0.020 0.000 0.872 1069 S HN 0.683 nan 8.310 nan 0.000 0.456 1070 S N 0.621 116.285 115.700 -0.060 0.000 2.419 1070 S HA -0.010 4.460 4.470 -0.001 0.000 0.235 1070 S C 1.431 175.996 174.600 -0.060 0.000 1.019 1070 S CA 1.281 59.457 58.200 -0.040 0.000 0.982 1070 S CB -0.503 62.682 63.200 -0.025 0.000 0.789 1070 S HN 0.598 nan 8.310 nan 0.000 0.490 1071 L N 1.089 122.246 121.223 -0.110 0.000 2.857 1071 L HA 0.316 4.656 4.340 -0.001 0.000 0.249 1071 L C 1.983 178.843 176.870 -0.017 0.000 1.172 1071 L CA -0.132 54.658 54.840 -0.084 0.000 0.980 1071 L CB 0.088 42.042 42.059 -0.176 0.000 1.299 1071 L HN 0.389 nan 8.230 nan 0.000 0.535 1072 K N 0.695 121.066 120.400 -0.047 0.000 2.280 1072 K HA -0.105 4.215 4.320 -0.001 0.000 0.202 1072 K C 1.364 177.947 176.600 -0.028 0.000 1.047 1072 K CA 1.394 57.662 56.287 -0.032 0.000 0.942 1072 K CB -0.051 32.425 32.500 -0.040 0.000 0.739 1072 K HN 0.371 nan 8.250 nan 0.000 0.457 1073 L N -0.097 121.081 121.223 -0.076 0.000 2.607 1073 L HA 0.141 4.480 4.340 -0.001 0.000 0.228 1073 L C 1.724 178.511 176.870 -0.140 0.000 1.123 1073 L CA -0.458 54.217 54.840 -0.275 0.000 0.890 1073 L CB -0.182 41.527 42.059 -0.584 0.000 1.103 1073 L HN 0.041 nan 8.230 nan 0.000 0.468 1074 F N 2.661 122.571 119.950 -0.067 0.000 2.069 1074 F HA -0.070 4.457 4.527 -0.001 0.000 0.298 1074 F C -0.454 175.423 175.800 0.129 0.000 1.113 1074 F CA 1.154 59.192 58.000 0.064 0.000 1.214 1074 F CB -1.358 37.671 39.000 0.048 0.000 0.978 1074 F HN 0.039 nan 8.300 nan 0.000 0.474 1075 P HA -0.176 nan 4.420 nan 0.000 0.216 1075 P C 2.023 179.491 177.300 0.279 0.000 1.153 1075 P CA 1.372 64.579 63.100 0.177 0.000 0.848 1075 P CB -0.159 31.645 31.700 0.173 0.000 0.787 1076 L N -1.578 119.796 121.223 0.251 0.000 2.012 1076 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 1076 L C 2.170 179.128 176.870 0.147 0.000 1.073 1076 L CA 2.049 56.996 54.840 0.178 0.000 0.748 1076 L CB -1.542 40.446 42.059 -0.118 0.000 0.891 1076 L HN -0.057 nan 8.230 nan 0.000 0.431 1077 Y N -0.957 119.385 120.300 0.069 0.000 2.224 1077 Y HA -0.133 4.416 4.550 -0.001 0.000 0.289 1077 Y C 2.640 178.533 175.900 -0.012 0.000 1.146 1077 Y CA 1.165 59.296 58.100 0.050 0.000 1.182 1077 Y CB -1.104 37.397 38.460 0.068 0.000 0.983 1077 Y HN 0.024 nan 8.280 nan 0.000 0.524 1078 V N -0.442 119.506 119.914 0.058 0.000 2.427 1078 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 1078 V C 2.339 178.323 176.094 -0.182 0.000 1.051 1078 V CA 1.335 63.579 62.300 -0.095 0.000 1.048 1078 V CB -0.801 30.899 31.823 -0.205 0.000 0.666 1078 V HN 0.302 nan 8.190 nan 0.000 0.456 1079 L N 0.979 122.027 121.223 -0.291 0.000 2.046 1079 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 1079 L C 2.443 179.211 176.870 -0.169 0.000 1.077 1079 L CA 2.357 56.910 54.840 -0.479 0.000 0.747 1079 L CB -0.912 40.879 42.059 -0.447 0.000 0.896 1079 L HN 0.216 nan 8.230 nan 0.000 0.432 1080 A N -0.733 122.083 122.820 -0.006 0.000 1.902 1080 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 1080 A C 2.231 179.838 177.584 0.039 0.000 1.181 1080 A CA 1.902 53.969 52.037 0.049 0.000 0.623 1080 A CB -0.983 18.140 19.000 0.205 0.000 0.818 1080 A HN 0.462 nan 8.150 nan 0.000 0.443 1081 L N -0.259 120.995 121.223 0.051 0.000 2.046 1081 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 1081 L C 2.211 179.161 176.870 0.135 0.000 1.077 1081 L CA 1.549 56.449 54.840 0.100 0.000 0.747 1081 L CB -0.516 41.586 42.059 0.071 0.000 0.896 1081 L HN 0.400 nan 8.230 nan 0.000 0.432 1082 L N -0.917 120.310 121.223 0.007 0.000 2.265 1082 L HA -0.190 4.150 4.340 -0.001 0.000 0.215 1082 L C 1.986 178.864 176.870 0.012 0.000 1.117 1082 L CA 1.123 55.960 54.840 -0.004 0.000 0.782 1082 L CB -0.393 41.588 42.059 -0.131 0.000 0.914 1082 L HN 0.253 nan 8.230 nan 0.000 0.441 1083 K N -1.200 119.192 120.400 -0.014 0.000 2.358 1083 K HA 0.070 4.390 4.320 -0.001 0.000 0.197 1083 K C 0.731 177.313 176.600 -0.029 0.000 1.025 1083 K CA -0.248 56.016 56.287 -0.038 0.000 1.104 1083 K CB 0.422 32.880 32.500 -0.071 0.000 0.855 1083 K HN 0.109 nan 8.250 nan 0.000 0.531 1084 Q N 1.961 121.770 119.800 0.014 0.000 2.394 1084 Q HA -0.019 4.320 4.340 -0.001 0.000 0.248 1084 Q C 0.856 176.814 176.000 -0.071 0.000 0.992 1084 Q CA 0.639 56.436 55.803 -0.010 0.000 0.888 1084 Q CB 1.300 30.046 28.738 0.014 0.000 1.257 1084 Q HN 0.026 nan 8.270 nan 0.000 0.462 1085 K N 2.137 122.486 120.400 -0.084 0.000 2.127 1085 K HA -0.267 4.053 4.320 -0.001 0.000 0.208 1085 K C 1.587 178.071 176.600 -0.193 0.000 1.047 1085 K CA 1.656 57.882 56.287 -0.101 0.000 0.927 1085 K CB -0.085 32.383 32.500 -0.052 0.000 0.716 1085 K HN 0.652 nan 8.250 nan 0.000 0.450 1086 A N 0.043 122.640 122.820 -0.371 0.000 1.902 1086 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 1086 A C 1.441 178.586 177.584 -0.732 0.000 1.181 1086 A CA 1.455 53.072 52.037 -0.701 0.000 0.623 1086 A CB -0.353 17.917 19.000 -1.216 0.000 0.818 1086 A HN 0.381 nan 8.150 nan 0.000 0.443 1087 F N -0.425 119.501 119.950 -0.039 0.000 2.706 1087 F HA 0.227 4.753 4.527 -0.001 0.000 0.313 1087 F C 0.995 176.765 175.800 -0.050 0.000 1.096 1087 F CA -0.516 57.459 58.000 -0.041 0.000 1.219 1087 F CB -0.034 38.940 39.000 -0.044 0.000 1.051 1087 F HN 0.151 nan 8.300 nan 0.000 0.568 1088 R N 0.713 121.246 120.500 0.054 0.000 2.734 1088 R HA 0.274 4.613 4.340 -0.001 0.000 0.266 1088 R C 0.580 176.877 176.300 -0.006 0.000 1.044 1088 R CA 1.034 57.139 56.100 0.008 0.000 1.128 1088 R CB 0.269 30.547 30.300 -0.036 0.000 1.010 1088 R HN 0.210 nan 8.270 nan 0.000 0.461 1089 T N -2.055 112.483 114.554 -0.027 0.000 2.986 1089 T HA 0.176 4.525 4.350 -0.001 0.000 0.264 1089 T C 1.559 176.229 174.700 -0.049 0.000 0.964 1089 T CA 0.079 62.159 62.100 -0.033 0.000 0.895 1089 T CB 0.563 69.411 68.868 -0.034 0.000 1.163 1089 T HN 0.636 nan 8.240 nan 0.000 0.517 1090 G N 1.239 110.002 108.800 -0.063 0.000 2.403 1090 G HA2 0.172 4.131 3.960 -0.001 0.000 0.216 1090 G HA3 0.172 4.131 3.960 -0.001 0.000 0.216 1090 G C 0.675 175.542 174.900 -0.055 0.000 1.154 1090 G CA 1.094 46.153 45.100 -0.068 0.000 0.784 1090 G HN 0.636 nan 8.290 nan 0.000 0.538 1091 T N -0.678 113.844 114.554 -0.053 0.000 2.912 1091 T HA 0.500 4.850 4.350 -0.001 0.000 0.288 1091 T C 0.149 174.827 174.700 -0.036 0.000 1.030 1091 T CA -0.267 61.805 62.100 -0.046 0.000 1.020 1091 T CB 1.433 70.268 68.868 -0.056 0.000 1.056 1091 T HN 0.133 nan 8.240 nan 0.000 0.480 1092 S N 2.172 117.855 115.700 -0.028 0.000 2.593 1092 S HA 0.251 4.720 4.470 -0.001 0.000 0.300 1092 S C -0.405 174.188 174.600 -0.013 0.000 1.267 1092 S CA 0.249 58.439 58.200 -0.017 0.000 1.065 1092 S CB -0.463 62.730 63.200 -0.011 0.000 0.807 1092 S HN 0.773 nan 8.310 nan 0.000 0.499 1093 T N 6.582 121.133 114.554 -0.006 0.000 2.949 1093 T HA 0.368 4.717 4.350 -0.001 0.000 0.300 1093 T C -0.690 174.022 174.700 0.020 0.000 0.988 1093 T CA -0.886 61.216 62.100 0.004 0.000 0.993 1093 T CB 0.866 69.728 68.868 -0.011 0.000 0.984 1093 T HN 0.507 nan 8.240 nan 0.000 0.442 1094 R N 2.114 122.640 120.500 0.044 0.000 2.590 1094 R HA 0.209 4.549 4.340 -0.001 0.000 0.274 1094 R C 1.248 177.593 176.300 0.075 0.000 1.061 1094 R CA -0.839 55.301 56.100 0.067 0.000 1.081 1094 R CB 0.218 30.580 30.300 0.103 0.000 0.984 1094 R HN 0.500 nan 8.270 nan 0.000 0.448 1095 L N 2.389 123.661 121.223 0.082 0.000 1.990 1095 L HA -0.224 4.115 4.340 -0.001 0.000 0.213 1095 L C 1.267 178.198 176.870 0.102 0.000 1.072 1095 L CA 2.034 56.932 54.840 0.097 0.000 0.755 1095 L CB -0.435 41.695 42.059 0.117 0.000 0.889 1095 L HN 0.537 nan 8.230 nan 0.000 0.432 1096 D N -0.719 119.765 120.400 0.139 0.000 2.182 1096 D HA -0.192 4.448 4.640 -0.001 0.000 0.201 1096 D C 1.842 178.084 176.300 -0.096 0.000 0.986 1096 D CA 1.267 55.242 54.000 -0.043 0.000 0.847 1096 D CB -0.147 40.595 40.800 -0.098 0.000 0.942 1096 D HN 0.453 nan 8.370 nan 0.000 0.467 1097 D N 0.196 120.642 120.400 0.077 0.000 2.117 1097 D HA -0.100 4.540 4.640 -0.001 0.000 0.198 1097 D C 2.031 178.376 176.300 0.074 0.000 0.982 1097 D CA 0.666 54.763 54.000 0.161 0.000 0.828 1097 D CB 0.053 40.958 40.800 0.174 0.000 0.967 1097 D HN 0.057 nan 8.370 nan 0.000 0.464 1098 R N -0.064 120.445 120.500 0.015 0.000 2.081 1098 R HA -0.086 4.254 4.340 -0.001 0.000 0.235 1098 R C 2.170 178.417 176.300 -0.090 0.000 1.131 1098 R CA 1.047 57.115 56.100 -0.053 0.000 0.960 1098 R CB -0.250 30.021 30.300 -0.048 0.000 0.856 1098 R HN 0.070 nan 8.270 nan 0.000 0.436 1099 V N 0.387 120.264 119.914 -0.061 0.000 2.343 1099 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 1099 V C 2.020 178.052 176.094 -0.104 0.000 1.051 1099 V CA 1.838 64.087 62.300 -0.085 0.000 1.036 1099 V CB -0.733 31.046 31.823 -0.074 0.000 0.654 1099 V HN 0.405 nan 8.190 nan 0.000 0.451 1100 Y N 1.394 121.555 120.300 -0.232 0.000 2.224 1100 Y HA -0.188 4.362 4.550 -0.001 0.000 0.289 1100 Y C 2.354 178.151 175.900 -0.171 0.000 1.146 1100 Y CA 1.121 59.083 58.100 -0.230 0.000 1.182 1100 Y CB -0.639 37.694 38.460 -0.212 0.000 0.983 1100 Y HN 0.162 nan 8.280 nan 0.000 0.524 1101 A N 0.123 122.808 122.820 -0.224 0.000 1.933 1101 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 1101 A C 2.299 179.669 177.584 -0.356 0.000 1.175 1101 A CA 2.049 53.900 52.037 -0.310 0.000 0.628 1101 A CB -0.746 18.117 19.000 -0.228 0.000 0.814 1101 A HN 0.559 nan 8.150 nan 0.000 0.444 1102 M N -1.215 118.199 119.600 -0.309 0.000 2.175 1102 M HA -0.153 4.326 4.480 -0.001 0.000 0.264 1102 M C 2.324 178.478 176.300 -0.244 0.000 1.063 1102 M CA 1.151 56.294 55.300 -0.262 0.000 1.119 1102 M CB -0.642 31.846 32.600 -0.188 0.000 1.377 1102 M HN 0.528 nan 8.290 nan 0.000 0.415 1103 C N 0.330 119.456 119.300 -0.289 0.000 2.425 1103 C HA -0.122 4.338 4.460 -0.001 0.000 0.277 1103 C C 2.855 177.618 174.990 -0.379 0.000 1.280 1103 C CA 0.709 59.544 59.018 -0.306 0.000 1.744 1103 C CB -0.917 26.650 27.740 -0.287 0.000 1.989 1103 C HN 0.537 nan 8.230 nan 0.000 0.491 1104 Q N 0.391 119.883 119.800 -0.512 0.000 2.124 1104 Q HA -0.045 4.294 4.340 -0.001 0.000 0.202 1104 Q C 2.128 177.945 176.000 -0.304 0.000 0.977 1104 Q CA 1.373 56.892 55.803 -0.473 0.000 0.850 1104 Q CB -0.424 27.981 28.738 -0.555 0.000 0.901 1104 Q HN 0.699 nan 8.270 nan 0.000 0.429 1105 I N 0.871 121.290 120.570 -0.252 0.000 2.226 1105 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 1105 I C 2.132 178.163 176.117 -0.144 0.000 1.100 1105 I CA 1.071 62.274 61.300 -0.162 0.000 1.374 1105 I CB -0.155 37.783 38.000 -0.104 0.000 1.057 1105 I HN 0.057 nan 8.210 nan 0.000 0.413 1106 K N 0.390 120.694 120.400 -0.160 0.000 2.365 1106 K HA -0.032 4.287 4.320 -0.001 0.000 0.199 1106 K C 1.750 178.231 176.600 -0.197 0.000 1.045 1106 K CA 1.460 57.666 56.287 -0.133 0.000 0.962 1106 K CB -0.022 32.390 32.500 -0.147 0.000 0.759 1106 K HN 0.451 nan 8.250 nan 0.000 0.469 1107 S N -1.158 114.388 115.700 -0.258 0.000 2.787 1107 S HA 0.161 4.631 4.470 -0.001 0.000 0.255 1107 S C 0.337 174.754 174.600 -0.305 0.000 1.051 1107 S CA -0.571 57.431 58.200 -0.329 0.000 1.124 1107 S CB 0.563 63.551 63.200 -0.354 0.000 1.104 1107 S HN -0.068 nan 8.310 nan 0.000 0.623 1108 Q N 2.819 122.472 119.800 -0.245 0.000 2.267 1108 Q HA 0.487 4.826 4.340 -0.001 0.000 0.255 1108 Q C -2.707 173.185 176.000 -0.181 0.000 0.923 1108 Q CA -2.000 53.683 55.803 -0.200 0.000 0.925 1108 Q CB 0.901 29.543 28.738 -0.159 0.000 1.195 1108 Q HN 0.236 nan 8.270 nan 0.000 0.417 1109 P HA -0.011 nan 4.420 nan 0.000 0.270 1109 P C 0.967 178.167 177.300 -0.167 0.000 1.223 1109 P CA -0.139 62.813 63.100 -0.247 0.000 0.785 1109 P CB 0.663 32.067 31.700 -0.493 0.000 0.923 1110 L N 3.189 124.337 121.223 -0.125 0.000 2.021 1110 L HA -0.220 4.120 4.340 -0.001 0.000 0.215 1110 L C 2.086 178.858 176.870 -0.164 0.000 1.074 1110 L CA 1.848 56.618 54.840 -0.117 0.000 0.760 1110 L CB -0.722 41.292 42.059 -0.076 0.000 0.889 1110 L HN 0.135 nan 8.230 nan 0.000 0.433 1111 V N -0.452 119.318 119.914 -0.240 0.000 2.469 1111 V HA -0.319 3.800 4.120 -0.001 0.000 0.251 1111 V C 2.397 178.301 176.094 -0.317 0.000 1.064 1111 V CA 2.218 64.332 62.300 -0.311 0.000 1.066 1111 V CB -0.704 30.874 31.823 -0.408 0.000 0.667 1111 V HN 0.634 nan 8.190 nan 0.000 0.461 1112 H N -1.386 117.629 119.070 -0.091 0.000 2.431 1112 H HA 0.083 4.638 4.556 -0.001 0.000 0.295 1112 H C 1.964 177.228 175.328 -0.107 0.000 1.038 1112 H CA 1.441 57.430 56.048 -0.099 0.000 1.360 1112 H CB -0.145 29.546 29.762 -0.118 0.000 1.433 1112 H HN 0.440 nan 8.280 nan 0.000 0.536 1113 L N 0.645 121.851 121.223 -0.028 0.000 2.093 1113 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 1113 L C 2.045 178.869 176.870 -0.077 0.000 1.085 1113 L CA 1.251 56.049 54.840 -0.069 0.000 0.755 1113 L CB -0.464 41.538 42.059 -0.095 0.000 0.904 1113 L HN 0.037 nan 8.230 nan 0.000 0.435 1114 M N -0.567 118.973 119.600 -0.099 0.000 2.202 1114 M HA -0.219 4.261 4.480 -0.001 0.000 0.262 1114 M C 2.105 178.371 176.300 -0.057 0.000 1.063 1114 M CA 1.542 56.766 55.300 -0.127 0.000 1.097 1114 M CB -0.958 31.542 32.600 -0.168 0.000 1.382 1114 M HN 0.302 nan 8.290 nan 0.000 0.413 1115 K N -0.629 119.757 120.400 -0.023 0.000 2.217 1115 K HA -0.005 4.314 4.320 -0.001 0.000 0.202 1115 K C 1.948 178.543 176.600 -0.007 0.000 1.051 1115 K CA 0.933 57.228 56.287 0.012 0.000 0.952 1115 K CB -0.046 32.477 32.500 0.038 0.000 0.736 1115 K HN 0.349 nan 8.250 nan 0.000 0.453 1116 M N 0.155 119.740 119.600 -0.025 0.000 2.288 1116 M HA -0.025 4.455 4.480 -0.001 0.000 0.266 1116 M C 2.017 178.310 176.300 -0.013 0.000 1.072 1116 M CA 1.283 56.565 55.300 -0.031 0.000 1.132 1116 M CB -0.096 32.470 32.600 -0.057 0.000 1.386 1116 M HN 0.071 nan 8.290 nan 0.000 0.432 1117 I N -1.383 119.178 120.570 -0.015 0.000 2.233 1117 I HA -0.185 3.984 4.170 -0.001 0.000 0.243 1117 I C 1.329 177.487 176.117 0.068 0.000 1.093 1117 I CA 0.950 62.257 61.300 0.012 0.000 1.380 1117 I CB -0.019 37.961 38.000 -0.033 0.000 1.067 1117 I HN 0.282 nan 8.210 nan 0.000 0.413 1118 H N 1.630 120.679 119.070 -0.035 0.000 2.716 1118 H HA 0.327 4.883 4.556 -0.001 0.000 0.260 1118 H C -2.642 172.678 175.328 -0.013 0.000 1.280 1118 H CA -2.129 53.930 56.048 0.019 0.000 1.506 1118 H CB 1.041 30.883 29.762 0.133 0.000 1.514 1118 H HN -0.106 nan 8.280 nan 0.000 0.502 1119 P HA -0.072 nan 4.420 nan 0.000 0.266 1119 P C -0.335 176.919 177.300 -0.077 0.000 1.186 1119 P CA 0.277 63.310 63.100 -0.111 0.000 0.767 1119 P CB 0.654 32.216 31.700 -0.230 0.000 0.820 1120 N N 2.201 120.870 118.700 -0.052 0.000 2.414 1120 N HA 0.279 5.019 4.740 -0.001 0.000 0.256 1120 N C -0.684 174.597 175.510 -0.382 0.000 1.029 1120 N CA -0.261 52.676 53.050 -0.188 0.000 0.948 1120 N CB 0.244 38.658 38.487 -0.122 0.000 1.102 1120 N HN 0.259 nan 8.380 nan 0.000 0.496 1121 L N 3.886 124.864 121.223 -0.408 0.000 2.307 1121 L HA 0.514 4.854 4.340 -0.001 0.000 0.284 1121 L C -1.520 175.184 176.870 -0.278 0.000 1.023 1121 L CA -0.509 54.191 54.840 -0.234 0.000 0.810 1121 L CB 0.400 42.395 42.059 -0.106 0.000 1.231 1121 L HN 0.374 nan 8.230 nan 0.000 0.423 1122 Y N 3.333 123.808 120.300 0.293 0.000 2.512 1122 Y HA 0.553 5.102 4.550 -0.001 0.000 0.348 1122 Y C -0.245 175.750 175.900 0.159 0.000 0.990 1122 Y CA -0.873 57.355 58.100 0.212 0.000 1.033 1122 Y CB 1.475 40.030 38.460 0.158 0.000 1.259 1122 Y HN 0.517 nan 8.280 nan 0.000 0.461 1123 R N 3.709 124.260 120.500 0.084 0.000 2.254 1123 R HA 0.491 4.831 4.340 -0.001 0.000 0.318 1123 R C 0.107 176.189 176.300 -0.362 0.000 1.031 1123 R CA -0.164 55.598 56.100 -0.563 0.000 0.905 1123 R CB 0.295 30.204 30.300 -0.651 0.000 1.050 1123 R HN 0.960 nan 8.270 nan 0.000 0.456 1124 I N 1.205 121.535 120.570 -0.400 0.000 4.147 1124 I HA 0.220 4.389 4.170 -0.001 0.000 0.329 1124 I C 0.299 176.246 176.117 -0.284 0.000 1.424 1124 I CA -0.423 60.718 61.300 -0.264 0.000 1.127 1124 I CB 0.649 38.611 38.000 -0.064 0.000 1.128 1124 I HN 0.557 nan 8.210 nan 0.000 0.417 1125 D N 1.744 121.840 120.400 -0.508 0.000 2.349 1125 D HA -0.054 4.585 4.640 -0.001 0.000 0.215 1125 D C 0.883 177.086 176.300 -0.162 0.000 1.016 1125 D CA 0.037 53.740 54.000 -0.496 0.000 0.870 1125 D CB 0.152 40.516 40.800 -0.726 0.000 0.917 1125 D HN 0.479 nan 8.370 nan 0.000 0.524 1126 R N 0.689 121.085 120.500 -0.173 0.000 2.772 1126 R HA 0.340 4.680 4.340 -0.001 0.000 0.358 1126 R C -0.314 175.921 176.300 -0.108 0.000 1.143 1126 R CA -0.387 55.650 56.100 -0.105 0.000 1.153 1126 R CB 0.841 31.077 30.300 -0.107 0.000 1.329 1126 R HN 0.033 nan 8.270 nan 0.000 0.615 1127 L N 1.256 122.415 121.223 -0.106 0.000 2.426 1127 L HA 0.281 4.620 4.340 -0.001 0.000 0.271 1127 L C 0.974 177.790 176.870 -0.090 0.000 1.169 1127 L CA 0.321 55.079 54.840 -0.136 0.000 0.836 1127 L CB 0.694 42.661 42.059 -0.153 0.000 1.112 1127 L HN 0.300 nan 8.230 nan 0.000 0.465 1128 T N -3.080 111.415 114.554 -0.099 0.000 2.804 1128 T HA 0.323 4.673 4.350 -0.001 0.000 0.290 1128 T C 0.191 174.850 174.700 -0.067 0.000 1.099 1128 T CA -0.790 61.270 62.100 -0.067 0.000 1.011 1128 T CB 1.873 70.709 68.868 -0.054 0.000 1.291 1128 T HN 0.401 nan 8.240 nan 0.000 0.523 1129 D N 0.301 120.674 120.400 -0.046 0.000 2.110 1129 D HA 0.061 4.700 4.640 -0.001 0.000 0.202 1129 D C 0.359 176.635 176.300 -0.040 0.000 0.975 1129 D CA 0.855 54.832 54.000 -0.039 0.000 0.839 1129 D CB -0.349 40.438 40.800 -0.022 0.000 0.996 1129 D HN 0.707 nan 8.370 nan 0.000 0.464 1130 E N 0.047 120.228 120.200 -0.033 0.000 2.729 1130 E HA 0.196 4.545 4.350 -0.001 0.000 0.246 1130 E C 1.109 177.688 176.600 -0.035 0.000 0.984 1130 E CA 0.722 57.106 56.400 -0.027 0.000 0.951 1130 E CB 0.150 29.838 29.700 -0.020 0.000 0.914 1130 E HN 0.382 nan 8.360 nan 0.000 0.509 1131 G N 2.327 111.110 108.800 -0.028 0.000 2.279 1131 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.223 1131 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.223 1131 G C 0.540 175.407 174.900 -0.055 0.000 1.015 1131 G CA -0.199 44.883 45.100 -0.030 0.000 0.621 1131 G HN 0.862 nan 8.290 nan 0.000 0.506 1132 A N 0.108 122.884 122.820 -0.072 0.000 2.492 1132 A HA 0.604 4.923 4.320 -0.001 0.000 0.236 1132 A C 0.936 178.471 177.584 -0.082 0.000 1.078 1132 A CA 1.042 53.016 52.037 -0.105 0.000 0.773 1132 A CB 0.279 19.225 19.000 -0.089 0.000 1.023 1132 A HN 2.031 nan 8.150 nan 0.000 0.504 1133 V N -0.805 119.032 119.914 -0.128 0.000 3.046 1133 V HA 0.631 4.750 4.120 -0.001 0.000 0.316 1133 V C -0.089 175.989 176.094 -0.028 0.000 1.104 1133 V CA -0.870 61.388 62.300 -0.070 0.000 1.006 1133 V CB 1.806 33.563 31.823 -0.110 0.000 1.058 1133 V HN 0.999 nan 8.190 nan 0.000 0.440 1134 H N 1.320 120.359 119.070 -0.051 0.000 2.551 1134 H HA 0.797 5.352 4.556 -0.001 0.000 0.321 1134 H C -1.564 173.765 175.328 0.002 0.000 1.028 1134 H CA -0.231 55.801 56.048 -0.026 0.000 1.215 1134 H CB 1.683 31.439 29.762 -0.009 0.000 1.414 1134 H HN 0.785 nan 8.280 nan 0.000 0.480 1135 V N 5.105 124.822 119.914 -0.329 0.000 3.012 1135 V HA 0.215 4.334 4.120 -0.001 0.000 0.307 1135 V C -0.199 175.770 176.094 -0.209 0.000 1.166 1135 V CA -0.411 61.804 62.300 -0.142 0.000 0.974 1135 V CB 1.652 33.498 31.823 0.038 0.000 1.040 1135 V HN 1.188 nan 8.190 nan 0.000 0.428 1136 N N 3.256 121.905 118.700 -0.085 0.000 2.714 1136 N HA -0.207 4.532 4.740 -0.001 0.000 0.250 1136 N C -0.198 175.244 175.510 -0.113 0.000 1.117 1136 N CA 0.832 53.852 53.050 -0.050 0.000 0.719 1136 N CB -0.770 37.713 38.487 -0.007 0.000 1.081 1136 N HN 0.986 nan 8.380 nan 0.000 0.557 1137 D N -1.088 119.159 120.400 -0.256 0.000 2.835 1137 D HA -0.191 4.449 4.640 -0.001 0.000 0.230 1137 D C 0.013 176.179 176.300 -0.222 0.000 1.130 1137 D CA 1.679 55.571 54.000 -0.180 0.000 0.738 1137 D CB -0.503 40.343 40.800 0.077 0.000 1.090 1137 D HN 0.789 nan 8.370 nan 0.000 0.433 1138 R N -0.986 119.216 120.500 -0.496 0.000 2.739 1138 R HA 0.664 5.004 4.340 -0.001 0.000 0.271 1138 R C -1.088 175.095 176.300 -0.195 0.000 1.010 1138 R CA -1.043 54.941 56.100 -0.192 0.000 0.897 1138 R CB 0.960 31.206 30.300 -0.090 0.000 1.236 1138 R HN 0.028 nan 8.270 nan 0.000 0.466 1139 I N 2.367 122.913 120.570 -0.041 0.000 2.396 1139 I HA 0.209 4.378 4.170 -0.001 0.000 0.289 1139 I C -0.454 175.624 176.117 -0.066 0.000 1.056 1139 I CA -0.883 60.404 61.300 -0.023 0.000 1.365 1139 I CB 1.602 39.610 38.000 0.014 0.000 1.407 1139 I HN 0.271 nan 8.210 nan 0.000 0.509 1140 V N 8.772 128.612 119.914 -0.123 0.000 2.357 1140 V HA 0.294 4.413 4.120 -0.001 0.000 0.284 1140 V C -2.155 173.821 176.094 -0.198 0.000 1.018 1140 V CA -1.925 60.273 62.300 -0.169 0.000 0.841 1140 V CB 1.370 32.981 31.823 -0.353 0.000 0.991 1140 V HN 0.564 nan 8.190 nan 0.000 0.437 1141 P HA 0.087 nan 4.420 nan 0.000 0.268 1141 P C -0.445 176.699 177.300 -0.259 0.000 1.208 1141 P CA 0.043 63.031 63.100 -0.187 0.000 0.777 1141 P CB 0.355 31.921 31.700 -0.224 0.000 0.875 1142 Q N 1.797 121.442 119.800 -0.259 0.000 3.075 1142 Q HA 0.252 4.592 4.340 -0.001 0.000 0.318 1142 Q C -2.232 173.665 176.000 -0.172 0.000 0.907 1142 Q CA -1.450 54.218 55.803 -0.224 0.000 0.882 1142 Q CB 0.610 29.244 28.738 -0.173 0.000 1.386 1142 Q HN 0.438 nan 8.270 nan 0.000 0.408 1143 P HA 0.163 nan 4.420 nan 0.000 0.269 1143 P C -2.425 174.922 177.300 0.079 0.000 1.209 1143 P CA -0.885 62.112 63.100 -0.172 0.000 0.776 1143 P CB 0.321 31.811 31.700 -0.350 0.000 0.876 1144 P HA 0.196 nan 4.420 nan 0.000 0.275 1144 P C -0.078 177.375 177.300 0.255 0.000 1.227 1144 P CA -0.216 62.989 63.100 0.176 0.000 0.781 1144 P CB 0.808 32.569 31.700 0.101 0.000 0.906 1145 L N 2.671 124.025 121.223 0.218 0.000 2.456 1145 L HA 0.094 4.434 4.340 -0.001 0.000 0.272 1145 L C 1.164 178.066 176.870 0.053 0.000 1.189 1145 L CA 0.234 55.124 54.840 0.084 0.000 0.846 1145 L CB -0.081 42.014 42.059 0.061 0.000 1.111 1145 L HN 0.283 nan 8.230 nan 0.000 0.475 1146 Q N 2.932 122.737 119.800 0.008 0.000 2.342 1146 Q HA 0.293 4.632 4.340 -0.001 0.000 0.267 1146 Q C -0.657 175.329 176.000 -0.024 0.000 1.038 1146 Q CA -0.922 54.895 55.803 0.023 0.000 0.832 1146 Q CB 2.320 31.106 28.738 0.079 0.000 1.323 1146 Q HN 0.490 nan 8.270 nan 0.000 0.448 1147 K N 0.668 121.047 120.400 -0.034 0.000 2.380 1147 K HA 0.141 4.460 4.320 -0.001 0.000 0.267 1147 K C -0.254 176.273 176.600 -0.121 0.000 0.990 1147 K CA -0.214 56.040 56.287 -0.055 0.000 0.946 1147 K CB 0.370 32.817 32.500 -0.088 0.000 0.937 1147 K HN 0.484 nan 8.250 nan 0.000 0.491 1148 L N 2.502 123.631 121.223 -0.156 0.000 2.391 1148 L HA 0.112 4.452 4.340 -0.001 0.000 0.249 1148 L C 0.015 176.743 176.870 -0.237 0.000 1.308 1148 L CA -0.244 54.443 54.840 -0.255 0.000 1.209 1148 L CB -0.318 41.533 42.059 -0.346 0.000 1.401 1148 L HN 0.686 nan 8.230 nan 0.000 0.416 1149 S N -0.062 115.495 115.700 -0.239 0.000 2.536 1149 S HA 0.574 5.043 4.470 -0.001 0.000 0.271 1149 S C 0.787 175.225 174.600 -0.271 0.000 1.134 1149 S CA -0.042 58.033 58.200 -0.207 0.000 0.897 1149 S CB 1.887 65.011 63.200 -0.126 0.000 1.094 1149 S HN 0.426 nan 8.310 nan 0.000 0.473 1150 A N 2.938 125.605 122.820 -0.255 0.000 2.076 1150 A HA -0.044 4.275 4.320 -0.001 0.000 0.220 1150 A C 1.578 179.032 177.584 -0.218 0.000 1.160 1150 A CA 1.734 53.600 52.037 -0.286 0.000 0.653 1150 A CB -0.688 18.261 19.000 -0.085 0.000 0.801 1150 A HN 0.933 nan 8.150 nan 0.000 0.455 1151 E N -0.235 119.878 120.200 -0.145 0.000 2.209 1151 E HA -0.169 4.181 4.350 -0.001 0.000 0.196 1151 E C 1.347 177.877 176.600 -0.117 0.000 0.993 1151 E CA 0.921 57.263 56.400 -0.097 0.000 0.819 1151 E CB -0.030 29.633 29.700 -0.062 0.000 0.745 1151 E HN 0.360 nan 8.360 nan 0.000 0.477 1152 K N 0.300 120.587 120.400 -0.188 0.000 2.400 1152 K HA 0.080 4.400 4.320 -0.001 0.000 0.194 1152 K C 0.612 176.989 176.600 -0.370 0.000 1.033 1152 K CA 0.224 56.398 56.287 -0.187 0.000 1.021 1152 K CB 0.220 32.616 32.500 -0.175 0.000 0.808 1152 K HN 0.178 nan 8.250 nan 0.000 0.505 1153 L N 3.095 123.995 121.223 -0.538 0.000 2.404 1153 L HA 0.084 4.424 4.340 -0.001 0.000 0.277 1153 L C -0.169 176.627 176.870 -0.124 0.000 1.184 1153 L CA -0.170 54.201 54.840 -0.781 0.000 1.013 1153 L CB -0.284 41.163 42.059 -1.020 0.000 1.318 1153 L HN -0.111 nan 8.230 nan 0.000 0.435 1154 T N 2.253 116.945 114.554 0.229 0.000 2.829 1154 T HA 0.003 4.352 4.350 -0.001 0.000 0.293 1154 T C 1.516 176.477 174.700 0.435 0.000 0.970 1154 T CA -0.285 62.013 62.100 0.329 0.000 1.168 1154 T CB 0.414 69.491 68.868 0.348 0.000 0.911 1154 T HN 0.621 nan 8.240 nan 0.000 0.535 1155 R N 2.743 123.427 120.500 0.306 0.000 2.293 1155 R HA -0.076 4.264 4.340 -0.001 0.000 0.219 1155 R C 0.908 177.284 176.300 0.126 0.000 1.091 1155 R CA 1.337 57.609 56.100 0.287 0.000 1.004 1155 R CB -0.161 30.238 30.300 0.166 0.000 0.865 1155 R HN 0.641 nan 8.270 nan 0.000 0.469 1156 E N 0.654 120.931 120.200 0.128 0.000 2.476 1156 E HA 0.172 4.522 4.350 -0.001 0.000 0.196 1156 E C 0.330 176.945 176.600 0.024 0.000 1.029 1156 E CA -0.033 56.395 56.400 0.046 0.000 0.896 1156 E CB 1.132 30.856 29.700 0.040 0.000 1.012 1156 E HN 0.518 nan 8.360 nan 0.000 0.475 1157 G N 0.574 109.434 108.800 0.101 0.000 3.108 1157 G HA2 0.727 4.687 3.960 -0.001 0.000 0.268 1157 G HA3 0.727 4.687 3.960 -0.001 0.000 0.268 1157 G C -1.379 173.456 174.900 -0.109 0.000 1.361 1157 G CA -0.529 44.543 45.100 -0.046 0.000 1.047 1157 G HN 0.116 nan 8.290 nan 0.000 0.540 1158 A N -0.837 121.725 122.820 -0.430 0.000 2.393 1158 A HA 0.838 5.157 4.320 -0.001 0.000 0.306 1158 A C -1.649 175.735 177.584 -0.335 0.000 1.050 1158 A CA -0.555 51.256 52.037 -0.376 0.000 0.724 1158 A CB 1.005 19.347 19.000 -1.096 0.000 1.248 1158 A HN 0.498 nan 8.150 nan 0.000 0.424 1159 F N 0.772 120.814 119.950 0.153 0.000 2.576 1159 F HA 0.619 5.145 4.527 -0.001 0.000 0.313 1159 F C -0.243 175.747 175.800 0.316 0.000 1.078 1159 F CA -0.649 57.498 58.000 0.246 0.000 0.921 1159 F CB 2.327 41.528 39.000 0.334 0.000 1.232 1159 F HN 0.545 nan 8.300 nan 0.000 0.459 1160 L N 4.467 125.998 121.223 0.513 0.000 2.313 1160 L HA 0.614 4.954 4.340 -0.001 0.000 0.283 1160 L C -1.141 176.046 176.870 0.527 0.000 1.013 1160 L CA -0.539 54.603 54.840 0.504 0.000 0.816 1160 L CB 1.318 43.647 42.059 0.449 0.000 1.236 1160 L HN 0.755 nan 8.230 nan 0.000 0.419 1161 M N 4.980 124.899 119.600 0.532 0.000 2.167 1161 M HA 0.296 4.776 4.480 -0.001 0.000 0.333 1161 M C -1.342 175.166 176.300 0.348 0.000 1.030 1161 M CA -0.557 54.958 55.300 0.358 0.000 0.963 1161 M CB 1.220 33.987 32.600 0.277 0.000 1.589 1161 M HN 0.502 nan 8.290 nan 0.000 0.431 1162 D N 4.505 125.060 120.400 0.258 0.000 2.428 1162 D HA 0.243 4.882 4.640 -0.001 0.000 0.221 1162 D C -0.330 176.075 176.300 0.175 0.000 1.123 1162 D CA -0.390 53.820 54.000 0.349 0.000 0.869 1162 D CB 0.669 41.671 40.800 0.337 0.000 1.032 1162 D HN 0.705 nan 8.370 nan 0.000 0.506 1163 C N 3.052 122.423 119.300 0.118 0.000 2.525 1163 C HA 0.508 4.967 4.460 -0.001 0.000 0.313 1163 C C 1.822 176.796 174.990 -0.026 0.000 1.311 1163 C CA 0.113 59.102 59.018 -0.048 0.000 1.725 1163 C CB -1.108 26.524 27.740 -0.180 0.000 1.926 1163 C HN 0.897 nan 8.230 nan 0.000 0.595 1164 G N 1.993 110.807 108.800 0.023 0.000 4.039 1164 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.220 1164 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.220 1164 G C 1.242 176.065 174.900 -0.129 0.000 1.391 1164 G CA 0.896 45.984 45.100 -0.020 0.000 0.920 1164 G HN 0.827 nan 8.290 nan 0.000 0.599 1165 S N -0.379 115.240 115.700 -0.135 0.000 2.535 1165 S HA 0.641 5.111 4.470 -0.001 0.000 0.214 1165 S C 0.506 174.956 174.600 -0.249 0.000 0.980 1165 S CA 1.049 59.148 58.200 -0.169 0.000 0.907 1165 S CB 1.154 64.310 63.200 -0.073 0.000 0.790 1165 S HN 1.946 nan 8.310 nan 0.000 0.510 1166 V N 0.783 120.525 119.914 -0.287 0.000 3.048 1166 V HA 0.678 4.797 4.120 -0.001 0.000 0.303 1166 V C -2.229 173.679 176.094 -0.310 0.000 1.214 1166 V CA -1.173 60.907 62.300 -0.366 0.000 0.984 1166 V CB 1.932 33.612 31.823 -0.239 0.000 1.054 1166 V HN 0.233 nan 8.190 nan 0.000 0.430 1167 F N 4.837 124.634 119.950 -0.255 0.000 2.480 1167 F HA 0.785 5.311 4.527 -0.001 0.000 0.329 1167 F C -0.607 175.068 175.800 -0.208 0.000 1.091 1167 F CA -1.189 56.730 58.000 -0.134 0.000 0.972 1167 F CB 1.764 40.750 39.000 -0.023 0.000 1.150 1167 F HN 0.403 nan 8.300 nan 0.000 0.467 1168 Y N 2.421 123.005 120.300 0.473 0.000 2.442 1168 Y HA 0.614 5.163 4.550 -0.001 0.000 0.344 1168 Y C -0.437 175.719 175.900 0.426 0.000 0.976 1168 Y CA -0.979 57.403 58.100 0.470 0.000 1.040 1168 Y CB 2.032 40.870 38.460 0.630 0.000 1.228 1168 Y HN 0.343 nan 8.280 nan 0.000 0.451 1169 I N 2.860 123.716 120.570 0.477 0.000 2.420 1169 I HA 0.136 4.305 4.170 -0.001 0.000 0.282 1169 I C -1.225 175.024 176.117 0.219 0.000 1.019 1169 I CA -0.607 60.903 61.300 0.350 0.000 1.130 1169 I CB 0.975 39.154 38.000 0.298 0.000 1.262 1169 I HN 0.634 nan 8.210 nan 0.000 0.454 1170 W N 8.222 129.443 121.300 -0.132 0.000 2.322 1170 W HA 0.524 5.183 4.660 -0.001 0.000 0.307 1170 W C -1.144 175.365 176.519 -0.017 0.000 1.220 1170 W CA -0.376 56.758 57.345 -0.351 0.000 1.210 1170 W CB 1.003 29.845 29.460 -1.030 0.000 1.223 1170 W HN 0.092 nan 8.180 nan 0.000 0.511 1171 V N 7.746 127.246 119.914 -0.689 0.000 2.350 1171 V HA 0.480 4.600 4.120 -0.001 0.000 0.285 1171 V C 0.833 176.343 176.094 -0.974 0.000 1.014 1171 V CA -0.838 61.138 62.300 -0.541 0.000 0.831 1171 V CB 0.677 32.461 31.823 -0.065 0.000 1.000 1171 V HN 0.769 nan 8.190 nan 0.000 0.433 1172 G N 2.696 110.808 108.800 -1.147 0.000 2.491 1172 G HA2 0.194 4.153 3.960 -0.001 0.000 0.242 1172 G HA3 0.194 4.153 3.960 -0.001 0.000 0.242 1172 G C 0.768 175.308 174.900 -0.600 0.000 1.266 1172 G CA -0.211 44.313 45.100 -0.961 0.000 0.844 1172 G HN 0.814 nan 8.290 nan 0.000 0.571 1173 K N 1.168 121.163 120.400 -0.676 0.000 2.089 1173 K HA -0.113 4.207 4.320 -0.001 0.000 0.210 1173 K C 1.976 178.161 176.600 -0.692 0.000 1.048 1173 K CA 1.609 57.223 56.287 -1.122 0.000 0.926 1173 K CB -0.273 31.849 32.500 -0.630 0.000 0.714 1173 K HN 0.510 nan 8.250 nan 0.000 0.448 1174 G N 0.309 108.909 108.800 -0.334 0.000 3.518 1174 G HA2 0.022 3.981 3.960 -0.001 0.000 0.273 1174 G HA3 0.022 3.981 3.960 -0.001 0.000 0.273 1174 G C -0.285 174.555 174.900 -0.100 0.000 1.199 1174 G CA -0.452 44.546 45.100 -0.171 0.000 0.899 1174 G HN 0.363 nan 8.290 nan 0.000 0.533 1175 C N 1.212 120.440 119.300 -0.120 0.000 2.642 1175 C HA 0.244 4.703 4.460 -0.001 0.000 0.420 1175 C C 0.908 175.918 174.990 0.033 0.000 1.349 1175 C CA -0.884 58.107 59.018 -0.044 0.000 1.821 1175 C CB -0.155 27.566 27.740 -0.033 0.000 2.637 1175 C HN 0.625 nan 8.230 nan 0.000 0.605 1176 D N 4.375 124.797 120.400 0.037 0.000 2.586 1176 D HA -0.062 4.578 4.640 -0.001 0.000 0.234 1176 D C 1.261 177.640 176.300 0.132 0.000 1.132 1176 D CA 0.724 54.766 54.000 0.071 0.000 0.860 1176 D CB 0.502 41.339 40.800 0.061 0.000 1.159 1176 D HN 0.630 nan 8.370 nan 0.000 0.490 1177 N N 3.247 122.008 118.700 0.102 0.000 2.364 1177 N HA -0.191 4.548 4.740 -0.001 0.000 0.183 1177 N C 1.167 176.736 175.510 0.100 0.000 1.022 1177 N CA 0.529 53.643 53.050 0.107 0.000 0.883 1177 N CB -0.164 38.369 38.487 0.077 0.000 0.965 1177 N HN 0.559 nan 8.380 nan 0.000 0.438 1178 N N 0.340 119.099 118.700 0.098 0.000 2.166 1178 N HA -0.133 4.607 4.740 -0.001 0.000 0.186 1178 N C 1.521 177.091 175.510 0.100 0.000 1.019 1178 N CA 0.786 53.883 53.050 0.079 0.000 0.856 1178 N CB -0.206 38.324 38.487 0.073 0.000 0.993 1178 N HN 0.139 nan 8.380 nan 0.000 0.426 1179 F N 0.860 120.818 119.950 0.012 0.000 2.128 1179 F HA 0.083 4.610 4.527 -0.001 0.000 0.295 1179 F C 1.847 177.666 175.800 0.033 0.000 1.100 1179 F CA 1.159 59.167 58.000 0.012 0.000 1.260 1179 F CB -0.318 38.682 39.000 -0.000 0.000 1.009 1179 F HN 0.035 nan 8.300 nan 0.000 0.476 1180 I N 0.216 120.844 120.570 0.097 0.000 2.264 1180 I HA -0.287 3.883 4.170 -0.001 0.000 0.248 1180 I C 2.434 178.537 176.117 -0.024 0.000 1.111 1180 I CA 1.941 63.259 61.300 0.029 0.000 1.382 1180 I CB -0.585 37.505 38.000 0.151 0.000 1.060 1180 I HN 0.316 nan 8.210 nan 0.000 0.418 1181 E N 0.814 121.007 120.200 -0.011 0.000 2.060 1181 E HA -0.180 4.170 4.350 -0.001 0.000 0.189 1181 E C 1.442 177.995 176.600 -0.078 0.000 0.974 1181 E CA 1.008 57.393 56.400 -0.026 0.000 0.808 1181 E CB 0.226 29.925 29.700 -0.002 0.000 0.768 1181 E HN 0.377 nan 8.360 nan 0.000 0.453 1182 D N -0.356 119.989 120.400 -0.092 0.000 2.323 1182 D HA -0.042 4.597 4.640 -0.001 0.000 0.209 1182 D C 1.554 177.757 176.300 -0.162 0.000 0.973 1182 D CA 0.470 54.410 54.000 -0.099 0.000 0.874 1182 D CB 0.880 41.647 40.800 -0.054 0.000 0.930 1182 D HN 0.120 nan 8.370 nan 0.000 0.521 1183 V N 0.014 119.742 119.914 -0.310 0.000 2.996 1183 V HA 0.063 4.182 4.120 -0.001 0.000 0.235 1183 V C 2.284 178.198 176.094 -0.300 0.000 1.205 1183 V CA 0.198 62.263 62.300 -0.392 0.000 1.225 1183 V CB 0.290 31.613 31.823 -0.832 0.000 0.995 1183 V HN 0.049 nan 8.190 nan 0.000 0.484 1184 L N 0.760 121.795 121.223 -0.313 0.000 2.209 1184 L HA 0.308 4.648 4.340 -0.001 0.000 0.207 1184 L C 1.664 178.596 176.870 0.104 0.000 1.094 1184 L CA 1.242 56.051 54.840 -0.052 0.000 0.790 1184 L CB -0.398 41.661 42.059 0.001 0.000 0.932 1184 L HN 0.610 nan 8.230 nan 0.000 0.447 1185 G N -0.813 107.974 108.800 -0.022 0.000 2.165 1185 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.226 1185 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.226 1185 G C -0.454 174.175 174.900 -0.452 0.000 1.035 1185 G CA -0.431 44.554 45.100 -0.193 0.000 0.744 1185 G HN 0.229 nan 8.290 nan 0.000 0.501 1186 Y N -1.418 118.843 120.300 -0.065 0.000 2.545 1186 Y HA 0.564 5.113 4.550 -0.001 0.000 0.348 1186 Y C 1.748 177.631 175.900 -0.030 0.000 1.002 1186 Y CA -0.066 58.006 58.100 -0.047 0.000 1.039 1186 Y CB 1.340 39.767 38.460 -0.055 0.000 1.271 1186 Y HN 0.036 nan 8.280 nan 0.000 0.467 1187 T N 0.952 115.574 114.554 0.114 0.000 2.708 1187 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 1187 T C 0.047 174.801 174.700 0.091 0.000 1.037 1187 T CA 2.001 64.144 62.100 0.072 0.000 1.146 1187 T CB -0.370 68.531 68.868 0.054 0.000 0.865 1187 T HN 0.768 nan 8.240 nan 0.000 0.435 1188 N N -1.255 117.513 118.700 0.114 0.000 2.934 1188 N HA 0.309 5.049 4.740 -0.001 0.000 0.253 1188 N C 0.114 175.696 175.510 0.120 0.000 1.466 1188 N CA -0.907 52.215 53.050 0.121 0.000 0.858 1188 N CB 0.020 38.571 38.487 0.108 0.000 1.459 1188 N HN -0.086 nan 8.380 nan 0.000 0.532 1189 F N 0.704 120.659 119.950 0.008 0.000 2.087 1189 F HA -0.123 4.404 4.527 -0.001 0.000 0.299 1189 F C 2.181 177.954 175.800 -0.044 0.000 1.100 1189 F CA 2.554 60.538 58.000 -0.026 0.000 1.226 1189 F CB -0.605 38.373 39.000 -0.036 0.000 0.983 1189 F HN 0.695 nan 8.300 nan 0.000 0.479 1190 A N -0.332 122.515 122.820 0.045 0.000 1.978 1190 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 1190 A C 2.287 179.788 177.584 -0.138 0.000 1.170 1190 A CA 2.081 54.087 52.037 -0.051 0.000 0.636 1190 A CB -1.361 17.676 19.000 0.061 0.000 0.810 1190 A HN 0.542 nan 8.150 nan 0.000 0.448 1191 S N -0.506 115.144 115.700 -0.082 0.000 2.522 1191 S HA 0.144 4.614 4.470 -0.001 0.000 0.227 1191 S C 0.679 175.118 174.600 -0.269 0.000 0.986 1191 S CA -0.119 58.051 58.200 -0.050 0.000 0.929 1191 S CB -0.664 62.609 63.200 0.121 0.000 0.769 1191 S HN 0.422 nan 8.310 nan 0.000 0.529 1192 I N 4.699 124.995 120.570 -0.456 0.000 2.662 1192 I HA 0.141 4.310 4.170 -0.001 0.000 0.285 1192 I C -1.865 173.896 176.117 -0.593 0.000 1.161 1192 I CA -1.746 59.104 61.300 -0.750 0.000 1.415 1192 I CB 0.336 37.971 38.000 -0.610 0.000 1.385 1192 I HN 0.167 nan 8.210 nan 0.000 0.552 1193 P HA 0.123 nan 4.420 nan 0.000 0.274 1193 P C -1.154 176.006 177.300 -0.233 0.000 1.246 1193 P CA -0.477 62.434 63.100 -0.316 0.000 0.795 1193 P CB 0.781 32.348 31.700 -0.222 0.000 1.006 1194 Q N 0.443 120.159 119.800 -0.140 0.000 2.205 1194 Q HA 0.247 4.586 4.340 -0.001 0.000 0.249 1194 Q C 0.007 175.982 176.000 -0.041 0.000 0.948 1194 Q CA -0.746 55.005 55.803 -0.087 0.000 0.895 1194 Q CB 0.839 29.538 28.738 -0.064 0.000 1.249 1194 Q HN 0.294 nan 8.270 nan 0.000 0.458 1195 K N -0.048 120.352 120.400 -0.001 0.000 3.192 1195 K HA -0.188 4.131 4.320 -0.001 0.000 0.278 1195 K C -0.599 176.013 176.600 0.020 0.000 1.164 1195 K CA 0.751 57.057 56.287 0.032 0.000 0.816 1195 K CB -1.656 30.855 32.500 0.018 0.000 1.256 1195 K HN 0.789 nan 8.250 nan 0.000 0.497 1196 M N 1.130 120.734 119.600 0.006 0.000 2.162 1196 M HA 0.057 4.536 4.480 -0.001 0.000 0.356 1196 M C 1.104 177.373 176.300 -0.051 0.000 1.303 1196 M CA 0.708 55.996 55.300 -0.019 0.000 1.116 1196 M CB 0.635 33.215 32.600 -0.033 0.000 1.632 1196 M HN 0.274 nan 8.290 nan 0.000 0.469 1197 T N 0.180 114.598 114.554 -0.226 0.000 3.170 1197 T HA 0.355 4.704 4.350 -0.001 0.000 0.288 1197 T C -0.238 174.032 174.700 -0.718 0.000 0.992 1197 T CA -0.409 61.404 62.100 -0.478 0.000 0.909 1197 T CB -0.131 68.367 68.868 -0.617 0.000 1.133 1197 T HN 0.719 nan 8.240 nan 0.000 0.530 1198 H N 0.146 119.227 119.070 0.020 0.000 2.930 1198 H HA 0.465 5.020 4.556 -0.001 0.000 0.371 1198 H C -1.209 174.144 175.328 0.042 0.000 1.169 1198 H CA -0.998 55.064 56.048 0.024 0.000 1.157 1198 H CB 1.826 31.595 29.762 0.011 0.000 1.789 1198 H HN 0.122 nan 8.280 nan 0.000 0.547 1199 L N 4.380 125.701 121.223 0.163 0.000 2.272 1199 L HA 0.270 4.610 4.340 -0.001 0.000 0.289 1199 L C -1.756 175.159 176.870 0.075 0.000 1.032 1199 L CA -1.707 53.193 54.840 0.100 0.000 0.810 1199 L CB 1.459 43.567 42.059 0.082 0.000 1.205 1199 L HN 0.358 nan 8.230 nan 0.000 0.422 1200 P HA -0.068 nan 4.420 nan 0.000 0.267 1200 P C -0.535 176.763 177.300 -0.003 0.000 1.200 1200 P CA -0.168 62.940 63.100 0.013 0.000 0.772 1200 P CB 0.722 32.412 31.700 -0.016 0.000 0.855 1201 E N 2.280 122.473 120.200 -0.011 0.000 2.261 1201 E HA 0.159 4.509 4.350 -0.001 0.000 0.308 1201 E C -0.220 176.366 176.600 -0.023 0.000 1.400 1201 E CA -0.348 56.045 56.400 -0.012 0.000 1.542 1201 E CB -0.651 29.042 29.700 -0.012 0.000 1.369 1201 E HN 0.380 nan 8.360 nan 0.000 0.493 1202 L N 1.571 122.776 121.223 -0.030 0.000 2.426 1202 L HA 0.117 4.457 4.340 -0.001 0.000 0.271 1202 L C 0.674 177.526 176.870 -0.030 0.000 1.169 1202 L CA -0.233 54.583 54.840 -0.040 0.000 0.836 1202 L CB 0.525 42.550 42.059 -0.057 0.000 1.112 1202 L HN 0.273 nan 8.230 nan 0.000 0.465 1203 D N 1.912 122.294 120.400 -0.030 0.000 2.845 1203 D HA 0.083 4.723 4.640 -0.001 0.000 0.235 1203 D C -0.142 176.146 176.300 -0.021 0.000 1.158 1203 D CA -0.181 53.806 54.000 -0.021 0.000 0.990 1203 D CB 0.065 40.853 40.800 -0.020 0.000 1.094 1203 D HN 0.607 nan 8.370 nan 0.000 0.486 1204 T N -2.009 112.533 114.554 -0.021 0.000 2.906 1204 T HA 0.231 4.581 4.350 -0.001 0.000 0.295 1204 T C 0.763 175.456 174.700 -0.011 0.000 1.075 1204 T CA -0.947 61.142 62.100 -0.019 0.000 1.005 1204 T CB 1.367 70.218 68.868 -0.029 0.000 1.136 1204 T HN -0.009 nan 8.240 nan 0.000 0.498 1205 L N 2.083 123.303 121.223 -0.006 0.000 2.093 1205 L HA 0.023 4.362 4.340 -0.001 0.000 0.208 1205 L C 2.672 179.545 176.870 0.004 0.000 1.085 1205 L CA 2.683 57.523 54.840 -0.000 0.000 0.755 1205 L CB -1.040 41.019 42.059 0.001 0.000 0.904 1205 L HN 0.947 nan 8.230 nan 0.000 0.435 1206 S N -2.411 113.292 115.700 0.006 0.000 2.383 1206 S HA -0.177 4.293 4.470 -0.001 0.000 0.227 1206 S C 2.164 176.773 174.600 0.014 0.000 1.026 1206 S CA 1.195 59.408 58.200 0.022 0.000 0.981 1206 S CB -0.949 62.275 63.200 0.040 0.000 0.818 1206 S HN 0.506 nan 8.310 nan 0.000 0.472 1207 S N 1.567 117.259 115.700 -0.015 0.000 2.383 1207 S HA -0.136 4.333 4.470 -0.001 0.000 0.227 1207 S C 1.985 176.591 174.600 0.010 0.000 1.026 1207 S CA 1.353 59.541 58.200 -0.021 0.000 0.981 1207 S CB -0.552 62.624 63.200 -0.040 0.000 0.818 1207 S HN 0.725 nan 8.310 nan 0.000 0.472 1208 E N 0.286 120.492 120.200 0.010 0.000 2.106 1208 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 1208 E C 2.402 179.021 176.600 0.032 0.000 0.984 1208 E CA 0.696 57.106 56.400 0.018 0.000 0.806 1208 E CB -0.040 29.666 29.700 0.010 0.000 0.750 1208 E HN 0.456 nan 8.360 nan 0.000 0.458 1209 R N -0.004 120.513 120.500 0.030 0.000 2.066 1209 R HA -0.065 4.275 4.340 -0.001 0.000 0.232 1209 R C 2.454 178.801 176.300 0.079 0.000 1.131 1209 R CA 1.032 57.153 56.100 0.034 0.000 0.955 1209 R CB -0.343 29.962 30.300 0.008 0.000 0.851 1209 R HN 0.165 nan 8.270 nan 0.000 0.432 1210 A N 1.432 124.307 122.820 0.090 0.000 1.865 1210 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 1210 A C 2.160 179.844 177.584 0.166 0.000 1.191 1210 A CA 1.425 53.552 52.037 0.151 0.000 0.623 1210 A CB -0.476 18.611 19.000 0.145 0.000 0.826 1210 A HN 0.239 nan 8.150 nan 0.000 0.444 1211 R N -0.789 119.774 120.500 0.104 0.000 2.096 1211 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 1211 R C 2.658 179.014 176.300 0.095 0.000 1.127 1211 R CA 1.402 57.554 56.100 0.087 0.000 0.968 1211 R CB -0.397 29.938 30.300 0.057 0.000 0.861 1211 R HN 0.580 nan 8.270 nan 0.000 0.440 1212 S N 0.345 116.104 115.700 0.098 0.000 2.368 1212 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 1212 S C 1.691 176.385 174.600 0.157 0.000 1.030 1212 S CA 1.078 59.337 58.200 0.097 0.000 0.999 1212 S CB -0.259 62.979 63.200 0.063 0.000 0.844 1212 S HN 0.344 nan 8.310 nan 0.000 0.459 1213 F N 2.213 122.172 119.950 0.016 0.000 2.075 1213 F HA 0.023 4.549 4.527 -0.001 0.000 0.297 1213 F C 1.876 177.734 175.800 0.096 0.000 1.113 1213 F CA 1.534 59.552 58.000 0.030 0.000 1.218 1213 F CB -0.611 38.357 39.000 -0.054 0.000 0.984 1213 F HN 0.224 nan 8.300 nan 0.000 0.472 1214 I N -0.473 120.053 120.570 -0.072 0.000 2.361 1214 I HA -0.301 3.868 4.170 -0.001 0.000 0.251 1214 I C 2.139 178.202 176.117 -0.091 0.000 1.133 1214 I CA 1.657 62.822 61.300 -0.224 0.000 1.413 1214 I CB -0.870 37.087 38.000 -0.071 0.000 1.073 1214 I HN 0.159 nan 8.210 nan 0.000 0.424 1215 T N -0.402 114.165 114.554 0.022 0.000 2.867 1215 T HA -0.217 4.132 4.350 -0.001 0.000 0.268 1215 T C 1.379 176.122 174.700 0.073 0.000 1.057 1215 T CA 1.166 63.302 62.100 0.060 0.000 1.136 1215 T CB -0.323 68.590 68.868 0.074 0.000 0.874 1215 T HN 0.546 nan 8.240 nan 0.000 0.466 1216 W N 1.774 123.000 121.300 -0.124 0.000 2.381 1216 W HA 0.035 4.694 4.660 -0.001 0.000 0.301 1216 W C 1.585 178.019 176.519 -0.142 0.000 1.205 1216 W CA 0.627 57.899 57.345 -0.121 0.000 1.285 1216 W CB -0.550 28.830 29.460 -0.133 0.000 1.133 1216 W HN 0.161 nan 8.180 nan 0.000 0.521 1217 L N 0.382 121.413 121.223 -0.320 0.000 2.046 1217 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 1217 L C 2.700 179.488 176.870 -0.136 0.000 1.077 1217 L CA 1.649 56.234 54.840 -0.426 0.000 0.747 1217 L CB -0.894 40.884 42.059 -0.469 0.000 0.896 1217 L HN -0.087 nan 8.230 nan 0.000 0.432 1218 R N -0.072 120.439 120.500 0.017 0.000 2.092 1218 R HA -0.134 4.206 4.340 -0.001 0.000 0.231 1218 R C 1.647 177.932 176.300 -0.026 0.000 1.119 1218 R CA 1.316 57.460 56.100 0.073 0.000 0.970 1218 R CB -0.302 30.066 30.300 0.114 0.000 0.864 1218 R HN 0.356 nan 8.270 nan 0.000 0.440 1219 D N -0.082 120.279 120.400 -0.065 0.000 2.348 1219 D HA -0.071 4.568 4.640 -0.001 0.000 0.216 1219 D C 1.502 177.741 176.300 -0.102 0.000 0.970 1219 D CA 1.051 55.016 54.000 -0.060 0.000 0.889 1219 D CB 0.076 40.863 40.800 -0.023 0.000 0.912 1219 D HN 0.230 nan 8.370 nan 0.000 0.524 1220 S N -0.030 115.554 115.700 -0.194 0.000 2.593 1220 S HA 0.009 4.478 4.470 -0.001 0.000 0.217 1220 S C 0.855 175.456 174.600 0.001 0.000 0.966 1220 S CA -0.465 57.631 58.200 -0.173 0.000 0.914 1220 S CB 0.184 63.158 63.200 -0.377 0.000 0.776 1220 S HN 0.272 nan 8.310 nan 0.000 0.523 1221 R N -0.011 120.468 120.500 -0.036 0.000 2.774 1221 R HA 0.510 4.850 4.340 -0.001 0.000 0.272 1221 R C -2.687 173.539 176.300 -0.123 0.000 1.000 1221 R CA -1.686 54.344 56.100 -0.117 0.000 0.906 1221 R CB 0.421 30.569 30.300 -0.253 0.000 1.227 1221 R HN -0.087 nan 8.270 nan 0.000 0.468 1222 P HA -0.021 nan 4.420 nan 0.000 0.218 1222 P C 0.375 177.659 177.300 -0.028 0.000 1.152 1222 P CA 0.736 63.803 63.100 -0.056 0.000 0.826 1222 P CB 0.441 32.124 31.700 -0.028 0.000 0.790 1223 L N -0.431 120.744 121.223 -0.080 0.000 2.439 1223 L HA 0.315 4.654 4.340 -0.001 0.000 0.259 1223 L C 0.856 177.691 176.870 -0.059 0.000 1.129 1223 L CA -0.660 54.166 54.840 -0.022 0.000 0.803 1223 L CB 0.831 42.870 42.059 -0.033 0.000 1.161 1223 L HN -0.103 nan 8.230 nan 0.000 0.462 1224 S N 1.695 117.380 115.700 -0.025 0.000 2.461 1224 S HA 0.437 4.907 4.470 -0.001 0.000 0.322 1224 S C -2.403 172.105 174.600 -0.153 0.000 1.063 1224 S CA -1.458 56.703 58.200 -0.064 0.000 1.120 1224 S CB 0.710 63.913 63.200 0.005 0.000 0.968 1224 S HN 0.222 nan 8.310 nan 0.000 0.467 1225 P HA 0.263 nan 4.420 nan 0.000 0.275 1225 P C -0.505 176.544 177.300 -0.418 0.000 1.227 1225 P CA -0.294 62.478 63.100 -0.547 0.000 0.781 1225 P CB 0.465 31.404 31.700 -1.268 0.000 0.906 1226 I N 2.865 123.240 120.570 -0.325 0.000 2.519 1226 I HA 0.134 4.303 4.170 -0.001 0.000 0.287 1226 I C 0.389 176.284 176.117 -0.370 0.000 1.047 1226 I CA -0.530 60.589 61.300 -0.303 0.000 1.381 1226 I CB 0.617 38.435 38.000 -0.304 0.000 1.417 1226 I HN 0.200 nan 8.210 nan 0.000 0.540 1227 L N 7.111 128.159 121.223 -0.292 0.000 2.295 1227 L HA 0.427 4.766 4.340 -0.001 0.000 0.285 1227 L C -0.825 175.847 176.870 -0.329 0.000 1.035 1227 L CA 0.023 54.782 54.840 -0.135 0.000 0.806 1227 L CB 0.708 42.816 42.059 0.080 0.000 1.214 1227 L HN 0.422 nan 8.230 nan 0.000 0.426 1228 H N 5.817 124.910 119.070 0.038 0.000 2.589 1228 H HA 0.420 4.975 4.556 -0.001 0.000 0.335 1228 H C -0.914 174.536 175.328 0.202 0.000 1.019 1228 H CA -0.576 55.536 56.048 0.106 0.000 1.213 1228 H CB 1.795 31.673 29.762 0.193 0.000 1.472 1228 H HN 0.467 nan 8.280 nan 0.000 0.508 1229 I N 3.914 124.627 120.570 0.239 0.000 2.312 1229 I HA 0.064 4.233 4.170 -0.001 0.000 0.291 1229 I C 0.185 176.396 176.117 0.158 0.000 1.031 1229 I CA -0.231 61.177 61.300 0.179 0.000 1.293 1229 I CB 0.911 38.962 38.000 0.085 0.000 1.403 1229 I HN 0.196 nan 8.210 nan 0.000 0.484 1230 V N 7.220 127.230 119.914 0.161 0.000 2.417 1230 V HA 0.433 4.552 4.120 -0.001 0.000 0.291 1230 V C 0.227 176.329 176.094 0.015 0.000 1.024 1230 V CA -1.022 61.352 62.300 0.124 0.000 0.861 1230 V CB 1.384 33.330 31.823 0.204 0.000 0.985 1230 V HN 0.588 nan 8.190 nan 0.000 0.436 1231 K N 2.123 122.526 120.400 0.005 0.000 2.095 1231 K HA 0.285 4.605 4.320 -0.001 0.000 0.252 1231 K C 0.853 177.540 176.600 0.146 0.000 0.977 1231 K CA -0.717 55.572 56.287 0.003 0.000 0.900 1231 K CB 1.155 33.566 32.500 -0.149 0.000 1.060 1231 K HN 0.636 nan 8.250 nan 0.000 0.449 1232 D N 1.857 122.405 120.400 0.247 0.000 2.149 1232 D HA -0.148 4.491 4.640 -0.001 0.000 0.198 1232 D C -0.429 175.996 176.300 0.208 0.000 0.990 1232 D CA 1.052 55.217 54.000 0.274 0.000 0.839 1232 D CB 0.263 41.166 40.800 0.172 0.000 0.948 1232 D HN 0.506 nan 8.370 nan 0.000 0.460 1233 E N 0.458 120.792 120.200 0.224 0.000 2.760 1233 E HA -0.095 4.254 4.350 -0.001 0.000 0.268 1233 E C -0.263 176.386 176.600 0.082 0.000 0.935 1233 E CA 0.188 56.664 56.400 0.127 0.000 0.960 1233 E CB 0.312 30.070 29.700 0.095 0.000 0.931 1233 E HN -0.057 nan 8.360 nan 0.000 0.483 1234 S N 3.912 119.637 115.700 0.041 0.000 2.955 1234 S HA 0.200 4.670 4.470 -0.001 0.000 0.294 1234 S C -1.677 172.930 174.600 0.011 0.000 1.198 1234 S CA -1.185 57.024 58.200 0.015 0.000 1.008 1234 S CB 0.149 63.335 63.200 -0.023 0.000 1.279 1234 S HN 0.446 nan 8.310 nan 0.000 0.508 1235 P HA 0.429 nan 4.420 nan 0.000 0.453 1235 P C 0.352 177.667 177.300 0.025 0.000 0.900 1235 P CA 0.108 63.217 63.100 0.015 0.000 2.063 1235 P CB 0.072 31.779 31.700 0.011 0.000 1.076 1236 A N -0.114 122.733 122.820 0.045 0.000 2.503 1236 A HA 0.254 4.574 4.320 -0.001 0.000 0.263 1236 A C 1.942 179.593 177.584 0.112 0.000 1.258 1236 A CA 0.223 52.296 52.037 0.060 0.000 0.936 1236 A CB -0.381 18.653 19.000 0.056 0.000 1.070 1236 A HN 0.158 nan 8.150 nan 0.000 0.522 1237 K N 0.530 121.006 120.400 0.127 0.000 2.057 1237 K HA -0.096 4.224 4.320 -0.001 0.000 0.207 1237 K C 2.008 178.766 176.600 0.264 0.000 1.049 1237 K CA 1.328 57.750 56.287 0.225 0.000 0.931 1237 K CB -0.269 32.301 32.500 0.116 0.000 0.714 1237 K HN 0.351 nan 8.250 nan 0.000 0.440 1238 A N 1.773 124.660 122.820 0.111 0.000 1.940 1238 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 1238 A C 1.825 179.446 177.584 0.062 0.000 1.176 1238 A CA 1.705 53.792 52.037 0.082 0.000 0.631 1238 A CB -0.495 18.512 19.000 0.010 0.000 0.814 1238 A HN 0.413 nan 8.150 nan 0.000 0.446 1239 E N -1.231 118.986 120.200 0.028 0.000 2.171 1239 E HA -0.215 4.135 4.350 -0.001 0.000 0.197 1239 E C 1.653 178.127 176.600 -0.211 0.000 0.997 1239 E CA 1.321 57.678 56.400 -0.072 0.000 0.810 1239 E CB -0.372 29.308 29.700 -0.033 0.000 0.738 1239 E HN 0.779 nan 8.360 nan 0.000 0.467 1240 F N -0.254 119.549 119.950 -0.245 0.000 2.220 1240 F HA -0.005 4.522 4.527 -0.001 0.000 0.290 1240 F C 1.925 177.619 175.800 -0.176 0.000 1.080 1240 F CA 0.557 58.389 58.000 -0.280 0.000 1.318 1240 F CB -0.222 38.717 39.000 -0.103 0.000 1.063 1240 F HN -0.170 nan 8.300 nan 0.000 0.498 1241 F N 1.105 121.022 119.950 -0.055 0.000 2.451 1241 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 1241 F C 2.307 177.972 175.800 -0.226 0.000 1.101 1241 F CA 1.118 59.023 58.000 -0.158 0.000 1.436 1241 F CB -0.856 38.108 39.000 -0.061 0.000 1.074 1241 F HN 0.106 nan 8.300 nan 0.000 0.553 1242 Q N -1.136 118.591 119.800 -0.122 0.000 2.369 1242 Q HA -0.139 4.201 4.340 -0.001 0.000 0.206 1242 Q C 1.433 177.218 176.000 -0.358 0.000 0.963 1242 Q CA 0.796 56.458 55.803 -0.235 0.000 0.894 1242 Q CB -0.113 28.447 28.738 -0.298 0.000 0.965 1242 Q HN 0.502 nan 8.270 nan 0.000 0.475 1243 H N -0.565 118.331 119.070 -0.290 0.000 2.553 1243 H HA 0.120 4.675 4.556 -0.001 0.000 0.265 1243 H C 0.282 175.376 175.328 -0.389 0.000 0.964 1243 H CA 0.349 56.200 56.048 -0.328 0.000 1.156 1243 H CB 0.382 29.915 29.762 -0.381 0.000 1.411 1243 H HN 0.144 nan 8.280 nan 0.000 0.558 1244 L N 2.970 123.998 121.223 -0.324 0.000 2.437 1244 L HA 0.038 4.378 4.340 -0.001 0.000 0.243 1244 L C 1.349 178.100 176.870 -0.198 0.000 1.346 1244 L CA -0.398 54.243 54.840 -0.331 0.000 1.233 1244 L CB -0.307 41.508 42.059 -0.407 0.000 1.436 1244 L HN 0.143 nan 8.230 nan 0.000 0.416 1245 I N -2.473 117.991 120.570 -0.177 0.000 2.800 1245 I HA -0.194 3.976 4.170 -0.001 0.000 0.266 1245 I C 1.703 177.791 176.117 -0.048 0.000 1.249 1245 I CA 1.326 62.561 61.300 -0.109 0.000 1.458 1245 I CB -0.545 37.394 38.000 -0.102 0.000 1.093 1245 I HN 0.409 nan 8.210 nan 0.000 0.466 1246 E N 0.791 120.958 120.200 -0.054 0.000 2.435 1246 E HA -0.011 4.338 4.350 -0.001 0.000 0.195 1246 E C -0.002 176.640 176.600 0.070 0.000 1.029 1246 E CA 0.179 56.598 56.400 0.032 0.000 0.865 1246 E CB 0.046 29.724 29.700 -0.037 0.000 0.833 1246 E HN 0.616 nan 8.360 nan 0.000 0.510 1247 D N 0.666 121.073 120.400 0.012 0.000 2.294 1247 D HA 0.120 4.760 4.640 -0.001 0.000 0.250 1247 D C 0.047 176.377 176.300 0.050 0.000 1.058 1247 D CA -0.359 53.660 54.000 0.033 0.000 0.950 1247 D CB 1.018 41.819 40.800 0.002 0.000 1.158 1247 D HN -0.086 nan 8.370 nan 0.000 0.453 1248 R N 0.102 120.643 120.500 0.068 0.000 2.539 1248 R HA 0.382 4.722 4.340 -0.001 0.000 0.275 1248 R C -0.333 175.984 176.300 0.029 0.000 1.077 1248 R CA 0.042 56.183 56.100 0.069 0.000 1.097 1248 R CB 0.353 30.706 30.300 0.088 0.000 1.018 1248 R HN 0.618 nan 8.270 nan 0.000 0.483 1249 T N -0.681 113.876 114.554 0.005 0.000 2.816 1249 T HA 0.206 4.556 4.350 -0.001 0.000 0.299 1249 T C 0.620 175.299 174.700 -0.035 0.000 1.230 1249 T CA -0.932 61.157 62.100 -0.017 0.000 1.007 1249 T CB 1.377 70.226 68.868 -0.031 0.000 1.289 1249 T HN 0.696 nan 8.240 nan 0.000 0.508 1250 E N 1.048 121.225 120.200 -0.039 0.000 2.654 1250 E HA -0.338 4.011 4.350 -0.001 0.000 0.247 1250 E C 1.102 177.663 176.600 -0.064 0.000 0.985 1250 E CA 2.158 58.531 56.400 -0.046 0.000 1.260 1250 E CB -0.539 29.132 29.700 -0.048 0.000 1.214 1250 E HN 0.895 nan 8.360 nan 0.000 0.499 1251 A N 0.212 122.979 122.820 -0.089 0.000 3.105 1251 A HA 0.636 4.956 4.320 -0.001 0.000 0.297 1251 A C -0.552 176.913 177.584 -0.200 0.000 0.977 1251 A CA 0.239 52.196 52.037 -0.134 0.000 1.020 1251 A CB 0.705 19.634 19.000 -0.119 0.000 1.098 1251 A HN 0.304 nan 8.150 nan 0.000 0.497 1252 A N 0.031 122.742 122.820 -0.182 0.000 2.455 1252 A HA 0.771 5.090 4.320 -0.001 0.000 0.300 1252 A C -0.847 176.670 177.584 -0.112 0.000 1.040 1252 A CA -0.530 51.383 52.037 -0.207 0.000 0.697 1252 A CB 0.630 19.558 19.000 -0.120 0.000 1.265 1252 A HN 0.261 nan 8.150 nan 0.000 0.407 1253 F N 1.689 121.625 119.950 -0.022 0.000 2.496 1253 F HA 0.358 4.884 4.527 -0.001 0.000 0.344 1253 F C 1.648 177.474 175.800 0.043 0.000 1.155 1253 F CA 0.451 58.467 58.000 0.026 0.000 1.302 1253 F CB 0.793 39.838 39.000 0.076 0.000 1.159 1253 F HN 0.650 nan 8.300 nan 0.000 0.595 1254 S N 2.199 118.095 115.700 0.327 0.000 2.681 1254 S HA 0.145 4.614 4.470 -0.001 0.000 0.270 1254 S C 0.833 175.603 174.600 0.283 0.000 1.209 1254 S CA -0.538 57.806 58.200 0.241 0.000 0.988 1254 S CB 0.363 63.697 63.200 0.223 0.000 1.006 1254 S HN 0.634 nan 8.310 nan 0.000 0.558 1255 Y N 0.941 121.331 120.300 0.149 0.000 2.128 1255 Y HA -0.204 4.345 4.550 -0.001 0.000 0.284 1255 Y C 2.184 178.190 175.900 0.175 0.000 1.154 1255 Y CA 2.008 60.205 58.100 0.161 0.000 1.149 1255 Y CB -0.908 37.618 38.460 0.111 0.000 0.976 1255 Y HN 0.858 nan 8.280 nan 0.000 0.505 1256 Y N 1.306 121.621 120.300 0.026 0.000 2.097 1256 Y HA -0.272 4.277 4.550 -0.001 0.000 0.282 1256 Y C 2.224 178.034 175.900 -0.151 0.000 1.152 1256 Y CA 2.458 60.502 58.100 -0.092 0.000 1.136 1256 Y CB -0.494 37.970 38.460 0.008 0.000 0.975 1256 Y HN 0.311 nan 8.280 nan 0.000 0.498 1257 E N -0.908 119.280 120.200 -0.020 0.000 2.110 1257 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 1257 E C 1.986 178.267 176.600 -0.533 0.000 0.988 1257 E CA 1.200 57.458 56.400 -0.237 0.000 0.804 1257 E CB -0.494 29.214 29.700 0.012 0.000 0.745 1257 E HN 0.513 nan 8.360 nan 0.000 0.458 1258 F N 1.668 121.328 119.950 -0.482 0.000 2.134 1258 F HA -0.144 4.382 4.527 -0.001 0.000 0.299 1258 F C 1.860 177.417 175.800 -0.406 0.000 1.097 1258 F CA 1.221 58.950 58.000 -0.452 0.000 1.264 1258 F CB -0.148 38.753 39.000 -0.166 0.000 1.001 1258 F HN -0.087 nan 8.300 nan 0.000 0.479 1259 L N -0.621 120.257 121.223 -0.576 0.000 2.056 1259 L HA -0.200 4.140 4.340 -0.001 0.000 0.207 1259 L C 2.438 178.975 176.870 -0.555 0.000 1.078 1259 L CA 0.922 55.389 54.840 -0.622 0.000 0.749 1259 L CB -0.893 40.806 42.059 -0.600 0.000 0.901 1259 L HN 0.253 nan 8.230 nan 0.000 0.433 1260 L N -0.583 120.293 121.223 -0.578 0.000 2.046 1260 L HA -0.264 4.076 4.340 -0.001 0.000 0.208 1260 L C 2.685 179.308 176.870 -0.411 0.000 1.077 1260 L CA 1.813 56.363 54.840 -0.483 0.000 0.747 1260 L CB -0.867 40.889 42.059 -0.504 0.000 0.896 1260 L HN 0.288 nan 8.230 nan 0.000 0.432 1261 H N -1.087 117.637 119.070 -0.577 0.000 2.321 1261 H HA -0.112 4.443 4.556 -0.001 0.000 0.300 1261 H C 2.118 177.188 175.328 -0.429 0.000 1.087 1261 H CA 2.208 57.955 56.048 -0.501 0.000 1.319 1261 H CB 0.108 29.477 29.762 -0.655 0.000 1.379 1261 H HN 0.258 nan 8.280 nan 0.000 0.501 1262 V N 1.497 121.096 119.914 -0.525 0.000 2.332 1262 V HA -0.279 3.841 4.120 -0.001 0.000 0.248 1262 V C 2.760 178.636 176.094 -0.363 0.000 1.055 1262 V CA 2.010 64.026 62.300 -0.473 0.000 1.038 1262 V CB -0.642 30.847 31.823 -0.556 0.000 0.651 1262 V HN 0.446 nan 8.190 nan 0.000 0.450 1263 Q N -0.545 119.049 119.800 -0.343 0.000 2.030 1263 Q HA -0.293 4.046 4.340 -0.001 0.000 0.204 1263 Q C 2.453 178.312 176.000 -0.236 0.000 0.986 1263 Q CA 2.136 57.786 55.803 -0.255 0.000 0.843 1263 Q CB -0.208 28.385 28.738 -0.241 0.000 0.904 1263 Q HN 0.708 nan 8.270 nan 0.000 0.420 1264 Q N -0.219 119.414 119.800 -0.278 0.000 2.112 1264 Q HA -0.223 4.116 4.340 -0.001 0.000 0.206 1264 Q C 2.168 178.027 176.000 -0.235 0.000 0.987 1264 Q CA 1.142 56.800 55.803 -0.242 0.000 0.858 1264 Q CB -0.058 28.520 28.738 -0.266 0.000 0.905 1264 Q HN 0.342 nan 8.270 nan 0.000 0.420 1265 Q N 0.353 119.966 119.800 -0.312 0.000 2.084 1265 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 1265 Q C 2.116 178.023 176.000 -0.156 0.000 0.978 1265 Q CA 1.177 56.836 55.803 -0.241 0.000 0.844 1265 Q CB -0.210 28.360 28.738 -0.281 0.000 0.898 1265 Q HN 0.492 nan 8.270 nan 0.000 0.426 1266 I N -0.280 120.197 120.570 -0.155 0.000 2.315 1266 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 1266 I C 2.193 178.255 176.117 -0.092 0.000 1.117 1266 I CA 0.635 61.871 61.300 -0.107 0.000 1.404 1266 I CB -0.193 37.745 38.000 -0.103 0.000 1.071 1266 I HN 0.151 nan 8.210 nan 0.000 0.419 1267 C N 0.450 119.686 119.300 -0.106 0.000 2.446 1267 C HA -0.018 4.442 4.460 -0.001 0.000 0.279 1267 C C 1.738 176.684 174.990 -0.074 0.000 1.366 1267 C CA -0.176 58.791 59.018 -0.086 0.000 1.763 1267 C CB -0.892 26.792 27.740 -0.093 0.000 1.929 1267 C HN 0.264 nan 8.230 nan 0.000 0.509 1268 K N 0.000 120.352 120.400 -0.081 0.000 2.780 1268 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1268 K CA 0.000 56.248 56.287 -0.064 0.000 0.838 1268 K CB 0.000 32.459 32.500 -0.069 0.000 1.064 1268 K HN 0.000 nan 8.250 nan 0.000 0.543