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 2d20_1_B DATA FIRST_RESID 501 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVSHAF SDDGSGGRRD SNLQRTGNDW DATA SEQUENCE IEVAFRTARA ADPAAKLcYN DYNIENWTWA KTQGVYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GASSSTYAAV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD TDSWRSGDTP LLFNGDGSKK AAYTAVLNAL DATA SEQUENCE NGGXXXXXXX XXGQIKGVGS GRcLDVPNAS TTDGTQVQLY DcHSATNQQW DATA SEQUENCE TYTDAGELRV YGDKcLDAAG TGNGTKVQIY ScWGGDNQKW RLNSDGSIVG DATA SEQUENCE VQSGLcLDAV GGGTANGTLI QLYScSNGSN QRWTRT 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 501 A HA 0.000 nan 4.320 nan 0.000 0.244 501 A C 0.000 177.580 177.584 -0.007 0.000 1.274 501 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 501 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 502 E N -0.029 120.166 120.200 -0.010 0.000 2.703 502 E HA 0.077 4.427 4.350 -0.000 0.000 0.214 502 E C 0.907 177.497 176.600 -0.015 0.000 0.944 502 E CA 0.921 57.311 56.400 -0.016 0.000 1.299 502 E CB 0.607 30.299 29.700 -0.013 0.000 1.189 502 E HN 0.545 nan 8.360 nan 0.000 0.597 503 S N -0.584 115.114 115.700 -0.004 0.000 2.524 503 S HA 0.079 4.549 4.470 -0.000 0.000 0.215 503 S C 0.769 175.395 174.600 0.043 0.000 0.986 503 S CA 0.166 58.376 58.200 0.018 0.000 0.911 503 S CB 0.386 63.594 63.200 0.014 0.000 0.805 503 S HN 0.180 nan 8.310 nan 0.000 0.501 504 T N -1.160 113.399 114.554 0.009 0.000 2.916 504 T HA 0.646 4.996 4.350 -0.000 0.000 0.292 504 T C 0.896 175.545 174.700 -0.084 0.000 1.055 504 T CA -0.963 61.141 62.100 0.007 0.000 1.009 504 T CB 1.212 70.068 68.868 -0.020 0.000 1.118 504 T HN 0.010 nan 8.240 nan 0.000 0.497 505 L N 1.264 122.380 121.223 -0.177 0.000 2.012 505 L HA 0.069 4.409 4.340 -0.000 0.000 0.210 505 L C 2.994 179.802 176.870 -0.103 0.000 1.073 505 L CA 1.899 56.526 54.840 -0.355 0.000 0.748 505 L CB -1.104 40.547 42.059 -0.680 0.000 0.891 505 L HN 0.982 nan 8.230 nan 0.000 0.431 506 G N -0.388 108.425 108.800 0.021 0.000 2.421 506 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 506 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 506 G C 1.772 176.728 174.900 0.094 0.000 1.171 506 G CA 0.862 46.055 45.100 0.156 0.000 0.775 506 G HN 0.472 nan 8.290 nan 0.000 0.543 507 A N 1.050 123.890 122.820 0.033 0.000 1.933 507 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 507 A C 2.796 180.388 177.584 0.014 0.000 1.175 507 A CA 2.205 54.255 52.037 0.022 0.000 0.628 507 A CB -0.703 18.299 19.000 0.003 0.000 0.814 507 A HN 0.769 nan 8.150 nan 0.000 0.444 508 A N -0.144 122.670 122.820 -0.012 0.000 1.898 508 A HA 0.202 4.522 4.320 -0.000 0.000 0.216 508 A C 2.489 180.079 177.584 0.009 0.000 1.181 508 A CA 1.925 53.947 52.037 -0.024 0.000 0.620 508 A CB -0.969 17.982 19.000 -0.082 0.000 0.819 508 A HN 1.032 nan 8.150 nan 0.000 0.442 509 A N -0.102 122.748 122.820 0.050 0.000 1.933 509 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 509 A C 2.420 180.049 177.584 0.075 0.000 1.175 509 A CA 1.864 53.959 52.037 0.097 0.000 0.628 509 A CB -0.914 18.213 19.000 0.212 0.000 0.814 509 A HN 1.089 nan 8.150 nan 0.000 0.444 510 A N -0.732 122.134 122.820 0.078 0.000 2.070 510 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 510 A C 1.959 179.567 177.584 0.041 0.000 1.159 510 A CA 1.441 53.517 52.037 0.066 0.000 0.656 510 A CB -0.502 18.536 19.000 0.063 0.000 0.800 510 A HN 0.674 nan 8.150 nan 0.000 0.453 511 Q N -0.122 119.695 119.800 0.029 0.000 2.437 511 Q HA -0.066 4.274 4.340 -0.000 0.000 0.210 511 Q C 1.363 177.373 176.000 0.016 0.000 0.972 511 Q CA 1.209 57.022 55.803 0.017 0.000 0.903 511 Q CB -0.066 28.677 28.738 0.007 0.000 0.967 511 Q HN 0.793 nan 8.270 nan 0.000 0.486 512 S N -2.385 113.327 115.700 0.021 0.000 2.749 512 S HA 0.361 4.831 4.470 -0.000 0.000 0.246 512 S C 0.984 175.595 174.600 0.018 0.000 1.023 512 S CA 0.049 58.258 58.200 0.015 0.000 1.012 512 S CB 0.974 64.180 63.200 0.009 0.000 0.942 512 S HN 0.375 nan 8.310 nan 0.000 0.531 513 G N 1.534 110.351 108.800 0.030 0.000 2.153 513 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 513 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 513 G C 0.065 174.994 174.900 0.048 0.000 0.994 513 G CA 0.243 45.367 45.100 0.040 0.000 0.698 513 G HN 0.637 nan 8.290 nan 0.000 0.521 514 R N -1.227 119.297 120.500 0.040 0.000 2.875 514 R HA 0.726 5.066 4.340 -0.000 0.000 0.251 514 R C 0.000 176.354 176.300 0.089 0.000 1.123 514 R CA -0.718 55.383 56.100 0.002 0.000 1.064 514 R CB 0.927 31.181 30.300 -0.077 0.000 1.205 514 R HN 0.454 nan 8.270 nan 0.000 0.503 515 Y N -1.467 118.891 120.300 0.095 0.000 2.587 515 Y HA 0.698 5.248 4.550 -0.000 0.000 0.337 515 Y C -1.195 174.813 175.900 0.181 0.000 1.065 515 Y CA -1.688 56.487 58.100 0.126 0.000 1.126 515 Y CB 1.100 39.609 38.460 0.081 0.000 1.279 515 Y HN 0.428 nan 8.280 nan 0.000 0.489 516 F N 1.493 121.683 119.950 0.401 0.000 2.612 516 F HA 0.764 5.291 4.527 -0.000 0.000 0.332 516 F C -0.070 176.063 175.800 0.555 0.000 1.167 516 F CA -0.746 57.484 58.000 0.383 0.000 0.970 516 F CB 1.433 40.587 39.000 0.256 0.000 1.234 516 F HN 0.950 nan 8.300 nan 0.000 0.453 517 G N 2.005 111.012 108.800 0.346 0.000 2.932 517 G HA2 0.637 4.597 3.960 -0.000 0.000 0.283 517 G HA3 0.637 4.597 3.960 -0.000 0.000 0.283 517 G C -1.319 173.438 174.900 -0.238 0.000 1.336 517 G CA -0.693 44.529 45.100 0.203 0.000 1.056 517 G HN 0.617 nan 8.290 nan 0.000 0.522 518 T N -2.048 112.198 114.554 -0.514 0.000 2.787 518 T HA 0.635 4.985 4.350 -0.000 0.000 0.297 518 T C -0.958 173.467 174.700 -0.459 0.000 1.221 518 T CA 0.182 61.864 62.100 -0.696 0.000 1.006 518 T CB 1.364 69.385 68.868 -1.411 0.000 1.328 518 T HN 1.248 nan 8.240 nan 0.000 0.509 519 A N 2.736 125.228 122.820 -0.546 0.000 2.290 519 A HA 0.712 5.032 4.320 -0.000 0.000 0.310 519 A C -0.450 176.831 177.584 -0.506 0.000 1.202 519 A CA -0.575 51.020 52.037 -0.738 0.000 0.837 519 A CB 0.078 18.101 19.000 -1.629 0.000 1.139 519 A HN 0.658 nan 8.150 nan 0.000 0.509 520 I N 1.766 122.117 120.570 -0.364 0.000 2.441 520 I HA 0.505 4.675 4.170 -0.000 0.000 0.295 520 I C 0.507 176.514 176.117 -0.183 0.000 0.994 520 I CA -0.292 60.869 61.300 -0.232 0.000 1.144 520 I CB 1.428 39.280 38.000 -0.247 0.000 1.314 520 I HN 0.709 nan 8.210 nan 0.000 0.445 521 A N 4.084 126.831 122.820 -0.123 0.000 2.271 521 A HA 0.466 4.786 4.320 -0.000 0.000 0.317 521 A C 1.021 178.499 177.584 -0.176 0.000 1.245 521 A CA -0.261 51.679 52.037 -0.162 0.000 0.857 521 A CB 0.736 19.613 19.000 -0.206 0.000 1.175 521 A HN 0.834 nan 8.150 nan 0.000 0.512 522 S N 2.564 118.197 115.700 -0.111 0.000 2.383 522 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 522 S C 1.715 176.245 174.600 -0.118 0.000 1.030 522 S CA 1.633 59.780 58.200 -0.088 0.000 1.002 522 S CB -0.595 62.597 63.200 -0.014 0.000 0.829 522 S HN 1.221 nan 8.310 nan 0.000 0.467 523 G N 1.163 109.885 108.800 -0.129 0.000 2.679 523 G HA2 0.024 3.984 3.960 -0.000 0.000 0.212 523 G HA3 0.024 3.984 3.960 -0.000 0.000 0.212 523 G C 1.305 176.076 174.900 -0.216 0.000 1.137 523 G CA 0.186 45.205 45.100 -0.135 0.000 0.787 523 G HN 0.616 nan 8.290 nan 0.000 0.534 524 K N -0.306 119.879 120.400 -0.358 0.000 2.358 524 K HA 0.340 4.660 4.320 -0.000 0.000 0.200 524 K C 1.686 178.014 176.600 -0.454 0.000 1.030 524 K CA -0.326 55.609 56.287 -0.585 0.000 1.097 524 K CB 0.325 32.082 32.500 -1.238 0.000 0.862 524 K HN 0.208 nan 8.250 nan 0.000 0.534 525 L N 0.409 121.474 121.223 -0.262 0.000 2.549 525 L HA -0.043 4.297 4.340 -0.000 0.000 0.229 525 L C 1.881 178.722 176.870 -0.049 0.000 1.158 525 L CA 0.829 55.574 54.840 -0.158 0.000 0.842 525 L CB -0.216 41.722 42.059 -0.202 0.000 0.952 525 L HN 0.291 nan 8.230 nan 0.000 0.452 526 G N -1.733 107.029 108.800 -0.064 0.000 3.042 526 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.212 526 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.212 526 G C 0.243 175.137 174.900 -0.011 0.000 1.166 526 G CA -0.189 44.900 45.100 -0.019 0.000 0.767 526 G HN 0.137 nan 8.290 nan 0.000 0.546 527 D N 0.578 120.962 120.400 -0.026 0.000 2.411 527 D HA 0.293 4.933 4.640 -0.000 0.000 0.225 527 D C 1.315 177.660 176.300 0.075 0.000 1.156 527 D CA -0.191 53.810 54.000 0.003 0.000 0.874 527 D CB 1.214 41.982 40.800 -0.052 0.000 1.034 527 D HN -0.050 nan 8.370 nan 0.000 0.502 528 S N 2.514 118.249 115.700 0.058 0.000 2.383 528 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 528 S C 1.923 176.561 174.600 0.064 0.000 1.030 528 S CA 1.304 59.544 58.200 0.066 0.000 1.002 528 S CB 0.054 63.280 63.200 0.044 0.000 0.829 528 S HN 0.691 nan 8.310 nan 0.000 0.467 529 A N 0.272 123.126 122.820 0.056 0.000 1.930 529 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 529 A C 1.923 179.534 177.584 0.044 0.000 1.175 529 A CA 1.438 53.497 52.037 0.036 0.000 0.627 529 A CB -0.863 18.157 19.000 0.033 0.000 0.815 529 A HN 0.579 nan 8.150 nan 0.000 0.443 530 Y N 1.810 122.072 120.300 -0.062 0.000 2.089 530 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 530 Y C 2.952 178.807 175.900 -0.074 0.000 1.139 530 Y CA 2.804 60.850 58.100 -0.091 0.000 1.123 530 Y CB -0.734 37.658 38.460 -0.113 0.000 0.980 530 Y HN 0.431 nan 8.280 nan 0.000 0.493 531 T N -3.557 111.044 114.554 0.079 0.000 2.867 531 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 531 T C 1.803 176.582 174.700 0.133 0.000 1.057 531 T CA 1.703 63.867 62.100 0.108 0.000 1.136 531 T CB -1.043 67.994 68.868 0.281 0.000 0.874 531 T HN 0.352 nan 8.240 nan 0.000 0.466 532 T N 2.145 116.729 114.554 0.049 0.000 2.708 532 T HA 0.086 4.436 4.350 -0.000 0.000 0.266 532 T C 1.891 176.555 174.700 -0.060 0.000 1.037 532 T CA 1.407 63.512 62.100 0.010 0.000 1.146 532 T CB -0.422 68.439 68.868 -0.012 0.000 0.865 532 T HN 0.416 nan 8.240 nan 0.000 0.435 533 I N 1.170 121.643 120.570 -0.161 0.000 2.202 533 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 533 I C 2.947 178.931 176.117 -0.221 0.000 1.091 533 I CA 1.089 62.191 61.300 -0.329 0.000 1.368 533 I CB -0.528 37.102 38.000 -0.616 0.000 1.058 533 I HN 0.179 nan 8.210 nan 0.000 0.410 534 A N -0.149 122.600 122.820 -0.120 0.000 1.883 534 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 534 A C 2.506 180.324 177.584 0.389 0.000 1.186 534 A CA 2.391 54.537 52.037 0.181 0.000 0.624 534 A CB -0.893 18.023 19.000 -0.141 0.000 0.822 534 A HN 0.397 nan 8.150 nan 0.000 0.444 535 S N -1.037 114.866 115.700 0.339 0.000 2.383 535 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 535 S C 2.214 176.823 174.600 0.015 0.000 1.026 535 S CA 1.456 59.733 58.200 0.129 0.000 0.981 535 S CB -0.355 62.862 63.200 0.030 0.000 0.818 535 S HN 0.623 nan 8.310 nan 0.000 0.472 536 R N 0.356 120.845 120.500 -0.018 0.000 2.062 536 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 536 R C 1.784 178.020 176.300 -0.106 0.000 1.128 536 R CA 1.534 57.595 56.100 -0.065 0.000 0.960 536 R CB -0.140 30.113 30.300 -0.079 0.000 0.855 536 R HN 0.356 nan 8.270 nan 0.000 0.432 537 E N -0.490 119.570 120.200 -0.233 0.000 2.318 537 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 537 E C -0.273 175.987 176.600 -0.566 0.000 0.998 537 E CA 0.453 56.573 56.400 -0.467 0.000 0.859 537 E CB 0.299 29.539 29.700 -0.766 0.000 0.812 537 E HN 0.149 nan 8.360 nan 0.000 0.492 538 F N 1.586 121.623 119.950 0.145 0.000 2.508 538 F HA 0.242 4.769 4.527 -0.000 0.000 0.325 538 F C 0.975 176.847 175.800 0.119 0.000 1.090 538 F CA -1.198 56.915 58.000 0.187 0.000 0.945 538 F CB 0.983 40.099 39.000 0.193 0.000 1.156 538 F HN -0.188 nan 8.300 nan 0.000 0.463 539 N N 0.942 119.836 118.700 0.325 0.000 2.200 539 N HA 0.311 5.051 4.740 -0.000 0.000 0.224 539 N C -0.666 174.905 175.510 0.103 0.000 1.179 539 N CA -0.057 53.094 53.050 0.168 0.000 0.877 539 N CB 0.723 39.295 38.487 0.142 0.000 1.072 539 N HN 0.577 nan 8.380 nan 0.000 0.519 540 M N 0.438 120.110 119.600 0.120 0.000 2.378 540 M HA 0.552 5.032 4.480 -0.000 0.000 0.289 540 M C -2.184 174.091 176.300 -0.042 0.000 1.136 540 M CA -0.804 54.448 55.300 -0.081 0.000 0.917 540 M CB 2.419 34.816 32.600 -0.338 0.000 1.669 540 M HN -0.165 nan 8.290 nan 0.000 0.461 541 V N 2.984 122.841 119.914 -0.094 0.000 2.709 541 V HA 0.796 4.916 4.120 -0.000 0.000 0.308 541 V C -0.723 175.293 176.094 -0.130 0.000 1.062 541 V CA -0.526 61.730 62.300 -0.075 0.000 0.901 541 V CB 2.500 34.345 31.823 0.037 0.000 1.003 541 V HN 0.897 nan 8.190 nan 0.000 0.425 542 T N 3.343 117.806 114.554 -0.152 0.000 2.824 542 T HA 0.652 5.002 4.350 -0.000 0.000 0.282 542 T C -0.031 174.577 174.700 -0.154 0.000 0.993 542 T CA -0.297 61.720 62.100 -0.139 0.000 0.967 542 T CB 1.679 70.501 68.868 -0.077 0.000 0.960 542 T HN 0.947 nan 8.240 nan 0.000 0.441 543 A N 2.037 124.813 122.820 -0.074 0.000 2.454 543 A HA 0.283 4.603 4.320 -0.000 0.000 0.260 543 A C 1.368 178.944 177.584 -0.013 0.000 1.106 543 A CA -0.340 51.674 52.037 -0.039 0.000 0.780 543 A CB -0.007 19.016 19.000 0.039 0.000 1.044 543 A HN 1.065 nan 8.150 nan 0.000 0.498 544 E N 2.140 122.251 120.200 -0.148 0.000 2.110 544 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 544 E C 0.712 177.411 176.600 0.165 0.000 0.988 544 E CA 1.806 58.113 56.400 -0.156 0.000 0.804 544 E CB 0.080 29.582 29.700 -0.329 0.000 0.745 544 E HN 0.811 nan 8.360 nan 0.000 0.458 545 N N -1.302 117.475 118.700 0.129 0.000 2.066 545 N HA -0.018 4.722 4.740 -0.000 0.000 0.232 545 N C 0.733 176.339 175.510 0.160 0.000 1.316 545 N CA 0.179 53.332 53.050 0.172 0.000 0.847 545 N CB 0.369 38.931 38.487 0.125 0.000 1.165 545 N HN -0.015 nan 8.380 nan 0.000 0.471 546 E N 0.846 121.127 120.200 0.135 0.000 2.333 546 E HA 0.053 4.403 4.350 -0.000 0.000 0.198 546 E C 1.139 177.873 176.600 0.222 0.000 1.007 546 E CA 0.973 57.467 56.400 0.156 0.000 0.845 546 E CB -0.042 29.740 29.700 0.137 0.000 0.766 546 E HN 0.363 nan 8.360 nan 0.000 0.507 547 M N -0.180 119.562 119.600 0.236 0.000 2.405 547 M HA 0.159 4.639 4.480 -0.000 0.000 0.292 547 M C 0.019 176.518 176.300 0.332 0.000 1.111 547 M CA -0.091 55.401 55.300 0.321 0.000 0.979 547 M CB 0.598 33.360 32.600 0.270 0.000 1.426 547 M HN -0.154 nan 8.290 nan 0.000 0.509 548 K N 0.546 121.099 120.400 0.255 0.000 2.118 548 K HA 0.279 4.599 4.320 -0.000 0.000 0.240 548 K C 1.127 177.898 176.600 0.286 0.000 1.035 548 K CA -0.265 56.172 56.287 0.250 0.000 0.899 548 K CB 1.173 33.822 32.500 0.248 0.000 1.085 548 K HN 0.067 nan 8.250 nan 0.000 0.498 549 I N 1.213 121.916 120.570 0.222 0.000 2.179 549 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 549 I C 1.976 178.107 176.117 0.025 0.000 1.088 549 I CA 1.432 62.738 61.300 0.010 0.000 1.357 549 I CB -0.524 37.295 38.000 -0.302 0.000 1.051 549 I HN 0.718 nan 8.210 nan 0.000 0.409 550 D N 1.821 122.214 120.400 -0.012 0.000 2.178 550 D HA -0.160 4.480 4.640 -0.000 0.000 0.202 550 D C 2.004 178.341 176.300 0.063 0.000 0.974 550 D CA 1.496 55.489 54.000 -0.012 0.000 0.841 550 D CB -0.363 40.403 40.800 -0.057 0.000 0.953 550 D HN 0.345 nan 8.370 nan 0.000 0.478 551 A N 0.435 123.317 122.820 0.102 0.000 2.016 551 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 551 A C 2.282 179.931 177.584 0.108 0.000 1.162 551 A CA 1.997 54.099 52.037 0.108 0.000 0.662 551 A CB -0.714 18.368 19.000 0.137 0.000 0.812 551 A HN 0.456 nan 8.150 nan 0.000 0.450 552 T N -3.685 110.978 114.554 0.182 0.000 3.037 552 T HA 0.212 4.562 4.350 -0.000 0.000 0.251 552 T C 0.552 175.297 174.700 0.075 0.000 1.079 552 T CA 0.703 62.881 62.100 0.130 0.000 1.067 552 T CB 0.138 69.230 68.868 0.373 0.000 0.948 552 T HN 0.413 nan 8.240 nan 0.000 0.496 553 E N 1.876 122.177 120.200 0.169 0.000 3.352 553 E HA 0.228 4.578 4.350 -0.000 0.000 0.254 553 E C -2.153 174.567 176.600 0.199 0.000 1.229 553 E CA -1.972 54.444 56.400 0.026 0.000 0.949 553 E CB 1.454 31.248 29.700 0.157 0.000 1.373 553 E HN 0.087 nan 8.360 nan 0.000 0.392 554 P HA -0.153 nan 4.420 nan 0.000 0.219 554 P C -0.003 177.411 177.300 0.190 0.000 1.146 554 P CA 1.019 64.202 63.100 0.139 0.000 0.808 554 P CB 0.452 32.165 31.700 0.021 0.000 0.779 555 Q N -0.938 118.787 119.800 -0.125 0.000 2.421 555 Q HA 0.298 4.638 4.340 -0.000 0.000 0.280 555 Q C -0.363 174.958 176.000 -1.131 0.000 1.085 555 Q CA -1.011 54.461 55.803 -0.551 0.000 0.807 555 Q CB 2.506 31.044 28.738 -0.332 0.000 1.405 555 Q HN -0.016 nan 8.270 nan 0.000 0.419 556 R N -0.088 119.318 120.500 -1.824 0.000 2.473 556 R HA 0.177 4.517 4.340 -0.000 0.000 0.315 556 R C 0.893 176.682 176.300 -0.851 0.000 0.972 556 R CA 1.789 56.835 56.100 -1.758 0.000 1.047 556 R CB -0.362 29.134 30.300 -1.340 0.000 0.932 556 R HN 0.928 nan 8.270 nan 0.000 0.411 557 G N 2.875 111.238 108.800 -0.730 0.000 2.179 557 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 557 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 557 G C 0.044 174.684 174.900 -0.432 0.000 0.977 557 G CA 0.422 45.261 45.100 -0.436 0.000 0.641 557 G HN 0.608 nan 8.290 nan 0.000 0.533 558 Q N 0.195 119.654 119.800 -0.569 0.000 2.425 558 Q HA 0.631 4.971 4.340 -0.000 0.000 0.254 558 Q C -0.592 175.121 176.000 -0.478 0.000 1.032 558 Q CA -0.827 54.752 55.803 -0.374 0.000 0.798 558 Q CB 0.150 28.721 28.738 -0.280 0.000 1.210 558 Q HN 0.200 nan 8.270 nan 0.000 0.491 559 F N 2.141 121.987 119.950 -0.174 0.000 2.375 559 F HA 0.371 4.898 4.527 -0.000 0.000 0.333 559 F C 0.770 176.269 175.800 -0.502 0.000 1.104 559 F CA -0.359 57.429 58.000 -0.352 0.000 1.149 559 F CB 0.960 39.757 39.000 -0.339 0.000 1.190 559 F HN 0.445 nan 8.300 nan 0.000 0.533 560 N N 2.343 120.695 118.700 -0.580 0.000 2.454 560 N HA 0.234 4.974 4.740 -0.000 0.000 0.291 560 N C -1.179 173.944 175.510 -0.644 0.000 1.079 560 N CA -0.333 52.442 53.050 -0.458 0.000 0.893 560 N CB 0.837 39.206 38.487 -0.196 0.000 1.512 560 N HN 0.391 nan 8.380 nan 0.000 0.497 561 F N 1.167 121.083 119.950 -0.056 0.000 2.698 561 F HA 0.159 4.686 4.527 -0.000 0.000 0.304 561 F C 2.163 177.997 175.800 0.057 0.000 1.108 561 F CA -0.302 57.665 58.000 -0.054 0.000 1.263 561 F CB 0.154 38.875 39.000 -0.465 0.000 1.013 561 F HN 0.470 nan 8.300 nan 0.000 0.532 562 S N 0.183 115.970 115.700 0.144 0.000 2.382 562 S HA -0.203 4.267 4.470 -0.000 0.000 0.228 562 S C 2.254 176.950 174.600 0.160 0.000 1.027 562 S CA 1.138 59.422 58.200 0.140 0.000 0.991 562 S CB -0.526 62.723 63.200 0.080 0.000 0.823 562 S HN 0.273 nan 8.310 nan 0.000 0.469 563 A N 1.902 124.815 122.820 0.154 0.000 1.874 563 A HA 0.390 4.710 4.320 -0.000 0.000 0.214 563 A C 2.432 180.143 177.584 0.211 0.000 1.189 563 A CA 1.163 53.290 52.037 0.150 0.000 0.615 563 A CB -1.679 17.392 19.000 0.119 0.000 0.830 563 A HN 0.620 nan 8.150 nan 0.000 0.443 564 G N -0.019 108.961 108.800 0.301 0.000 2.418 564 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 564 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 564 G C 1.064 176.227 174.900 0.437 0.000 1.158 564 G CA 1.299 46.630 45.100 0.384 0.000 0.771 564 G HN 0.431 nan 8.290 nan 0.000 0.545 565 D N 0.148 120.830 120.400 0.471 0.000 2.219 565 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 565 D C 2.632 179.152 176.300 0.366 0.000 0.970 565 D CA 0.392 54.672 54.000 0.466 0.000 0.851 565 D CB -0.162 40.872 40.800 0.391 0.000 0.943 565 D HN 0.262 nan 8.370 nan 0.000 0.488 566 R N 0.130 120.792 120.500 0.271 0.000 2.075 566 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 566 R C 2.261 178.698 176.300 0.229 0.000 1.126 566 R CA 0.638 56.866 56.100 0.215 0.000 0.963 566 R CB -0.195 30.193 30.300 0.147 0.000 0.858 566 R HN 0.093 nan 8.270 nan 0.000 0.435 567 V N -0.017 120.025 119.914 0.213 0.000 2.323 567 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 567 V C 1.905 178.147 176.094 0.248 0.000 1.041 567 V CA 1.627 64.038 62.300 0.185 0.000 1.025 567 V CB -0.627 31.263 31.823 0.112 0.000 0.656 567 V HN 0.289 nan 8.190 nan 0.000 0.451 568 Y N 2.090 122.485 120.300 0.157 0.000 2.128 568 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 568 Y C 2.546 178.534 175.900 0.147 0.000 1.154 568 Y CA 2.122 60.299 58.100 0.130 0.000 1.149 568 Y CB -0.412 38.162 38.460 0.189 0.000 0.976 568 Y HN 0.293 nan 8.280 nan 0.000 0.505 569 N N -0.417 118.397 118.700 0.190 0.000 2.104 569 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 569 N C 1.581 177.100 175.510 0.015 0.000 1.024 569 N CA 1.703 54.800 53.050 0.079 0.000 0.853 569 N CB -1.251 37.347 38.487 0.185 0.000 1.008 569 N HN 0.656 nan 8.380 nan 0.000 0.424 570 W N 1.951 123.225 121.300 -0.044 0.000 2.355 570 W HA -0.091 4.569 4.660 0.000 0.000 0.309 570 W C 2.393 178.854 176.519 -0.098 0.000 1.206 570 W CA 2.350 59.668 57.345 -0.045 0.000 1.284 570 W CB -0.426 29.031 29.460 -0.005 0.000 1.145 570 W HN 0.100 nan 8.180 nan 0.000 0.502 571 A N 0.303 123.168 122.820 0.076 0.000 1.851 571 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 571 A C 2.126 179.508 177.584 -0.337 0.000 1.195 571 A CA 3.302 55.263 52.037 -0.125 0.000 0.622 571 A CB -1.692 17.273 19.000 -0.059 0.000 0.831 571 A HN 0.585 nan 8.150 nan 0.000 0.444 572 V N -1.894 117.773 119.914 -0.412 0.000 2.407 572 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 572 V C 2.438 178.363 176.094 -0.282 0.000 1.055 572 V CA 2.585 64.666 62.300 -0.366 0.000 1.049 572 V CB -1.355 30.196 31.823 -0.453 0.000 0.662 572 V HN 0.574 nan 8.190 nan 0.000 0.455 573 Q N 1.498 121.124 119.800 -0.290 0.000 2.226 573 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 573 Q C 1.663 177.469 176.000 -0.324 0.000 0.975 573 Q CA 2.040 57.689 55.803 -0.257 0.000 0.866 573 Q CB -0.368 28.230 28.738 -0.234 0.000 0.915 573 Q HN 0.763 nan 8.270 nan 0.000 0.440 574 N N -0.894 117.522 118.700 -0.473 0.000 2.273 574 N HA 0.174 4.914 4.740 -0.000 0.000 0.231 574 N C -0.071 175.249 175.510 -0.317 0.000 1.134 574 N CA 0.701 53.462 53.050 -0.481 0.000 0.856 574 N CB 1.010 38.977 38.487 -0.867 0.000 1.068 574 N HN 0.385 nan 8.380 nan 0.000 0.510 575 G N 1.143 109.799 108.800 -0.240 0.000 2.179 575 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 575 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 575 G C -0.049 174.775 174.900 -0.127 0.000 1.010 575 G CA 0.480 45.487 45.100 -0.156 0.000 0.736 575 G HN 0.284 nan 8.290 nan 0.000 0.513 576 K N 0.082 120.388 120.400 -0.158 0.000 2.118 576 K HA 0.646 4.966 4.320 -0.000 0.000 0.254 576 K C 0.736 177.263 176.600 -0.120 0.000 0.961 576 K CA -0.564 55.663 56.287 -0.100 0.000 0.876 576 K CB 1.274 33.739 32.500 -0.057 0.000 1.077 576 K HN 0.374 nan 8.250 nan 0.000 0.440 577 Q N 0.286 120.021 119.800 -0.108 0.000 2.237 577 Q HA 0.528 4.868 4.340 -0.000 0.000 0.219 577 Q C -0.701 175.206 176.000 -0.155 0.000 0.999 577 Q CA -0.959 54.769 55.803 -0.126 0.000 0.959 577 Q CB 1.355 30.012 28.738 -0.135 0.000 1.173 577 Q HN 0.213 nan 8.270 nan 0.000 0.527 578 V N 0.805 120.625 119.914 -0.157 0.000 2.789 578 V HA 0.422 4.542 4.120 -0.000 0.000 0.311 578 V C -0.739 175.185 176.094 -0.282 0.000 1.073 578 V CA -0.827 61.362 62.300 -0.185 0.000 0.921 578 V CB 1.984 33.749 31.823 -0.097 0.000 1.009 578 V HN 0.628 nan 8.190 nan 0.000 0.426 579 R N 2.214 122.534 120.500 -0.301 0.000 2.295 579 R HA 0.583 4.923 4.340 -0.000 0.000 0.324 579 R C 0.284 176.319 176.300 -0.442 0.000 0.968 579 R CA -0.448 55.452 56.100 -0.333 0.000 0.837 579 R CB 1.881 32.050 30.300 -0.218 0.000 1.133 579 R HN 0.916 nan 8.270 nan 0.000 0.450 580 G N 1.423 109.727 108.800 -0.826 0.000 2.390 580 G HA2 0.220 4.180 3.960 -0.000 0.000 0.270 580 G HA3 0.220 4.180 3.960 -0.000 0.000 0.270 580 G C -0.932 173.809 174.900 -0.265 0.000 1.211 580 G CA 0.035 44.380 45.100 -1.259 0.000 0.842 580 G HN 0.703 nan 8.290 nan 0.000 0.519 581 H N -0.237 118.788 119.070 -0.074 0.000 3.083 581 H HA 0.551 5.107 4.556 -0.000 0.000 0.339 581 H C -0.967 174.425 175.328 0.107 0.000 1.020 581 H CA -0.397 55.675 56.048 0.040 0.000 1.360 581 H CB 1.605 31.349 29.762 -0.029 0.000 1.811 581 H HN 0.506 nan 8.280 nan 0.000 0.493 582 T N 5.973 120.383 114.554 -0.240 0.000 2.912 582 T HA 0.229 4.579 4.350 -0.000 0.000 0.299 582 T C 1.109 175.797 174.700 -0.019 0.000 1.052 582 T CA -0.774 61.139 62.100 -0.313 0.000 0.996 582 T CB 1.504 69.707 68.868 -1.109 0.000 1.070 582 T HN 0.592 nan 8.240 nan 0.000 0.465 583 L N 1.098 122.348 121.223 0.046 0.000 2.131 583 L HA 0.407 4.747 4.340 -0.000 0.000 0.206 583 L C 1.140 178.146 176.870 0.226 0.000 1.087 583 L CA 0.535 55.438 54.840 0.106 0.000 0.767 583 L CB -0.027 41.961 42.059 -0.119 0.000 0.917 583 L HN 0.673 nan 8.230 nan 0.000 0.441 584 A N -0.185 122.758 122.820 0.206 0.000 2.476 584 A HA 0.561 4.881 4.320 -0.000 0.000 0.280 584 A C -1.609 176.307 177.584 0.553 0.000 1.081 584 A CA -0.510 51.738 52.037 0.350 0.000 0.753 584 A CB 0.709 19.928 19.000 0.365 0.000 1.248 584 A HN 0.246 nan 8.150 nan 0.000 0.424 585 W N 2.845 124.213 121.300 0.113 0.000 2.937 585 W HA 0.368 5.028 4.660 -0.000 0.000 0.360 585 W C 0.110 176.623 176.519 -0.011 0.000 1.215 585 W CA -0.148 57.288 57.345 0.153 0.000 1.183 585 W CB -0.073 29.428 29.460 0.069 0.000 1.458 585 W HN 0.830 nan 8.180 nan 0.000 0.574 586 H N 0.064 119.065 119.070 -0.115 0.000 2.502 586 H HA 0.121 4.677 4.556 -0.000 0.000 0.283 586 H C 0.124 175.077 175.328 -0.625 0.000 1.015 586 H CA 1.207 57.051 56.048 -0.341 0.000 1.298 586 H CB -0.290 29.369 29.762 -0.171 0.000 1.411 586 H HN 0.182 nan 8.280 nan 0.000 0.556 587 S N 0.199 114.741 115.700 -1.930 0.000 2.616 587 S HA 0.157 4.627 4.470 -0.000 0.000 0.277 587 S C 0.069 173.821 174.600 -1.413 0.000 1.234 587 S CA -0.356 56.777 58.200 -1.777 0.000 1.028 587 S CB 0.621 62.598 63.200 -2.038 0.000 0.988 587 S HN 0.567 nan 8.310 nan 0.000 0.522 588 Q N 0.521 119.866 119.800 -0.759 0.000 2.457 588 Q HA -0.213 4.127 4.340 -0.000 0.000 0.283 588 Q C -0.516 175.258 176.000 -0.376 0.000 1.234 588 Q CA 0.685 56.236 55.803 -0.419 0.000 0.877 588 Q CB -1.307 27.298 28.738 -0.221 0.000 1.250 588 Q HN 0.676 nan 8.270 nan 0.000 0.481 589 Q N 1.156 120.684 119.800 -0.453 0.000 2.293 589 Q HA 0.288 4.628 4.340 -0.000 0.000 0.251 589 Q C -1.925 173.831 176.000 -0.406 0.000 0.930 589 Q CA -1.630 53.905 55.803 -0.447 0.000 0.893 589 Q CB 0.702 29.152 28.738 -0.480 0.000 1.215 589 Q HN 0.127 nan 8.270 nan 0.000 0.425 590 P HA -0.040 nan 4.420 nan 0.000 0.272 590 P C 0.350 177.369 177.300 -0.468 0.000 1.230 590 P CA 0.043 62.895 63.100 -0.414 0.000 0.788 590 P CB 0.696 32.142 31.700 -0.423 0.000 0.949 591 G N 2.091 110.751 108.800 -0.233 0.000 2.505 591 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 591 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 591 G C 1.377 176.195 174.900 -0.137 0.000 1.145 591 G CA 0.561 45.569 45.100 -0.153 0.000 0.761 591 G HN 0.772 nan 8.290 nan 0.000 0.571 592 W N -0.160 121.087 121.300 -0.088 0.000 2.392 592 W HA 0.054 4.714 4.660 -0.000 0.000 0.279 592 W C 2.032 178.497 176.519 -0.090 0.000 1.225 592 W CA 1.019 58.313 57.345 -0.084 0.000 1.233 592 W CB -0.701 28.706 29.460 -0.088 0.000 1.122 592 W HN 0.298 nan 8.180 nan 0.000 0.561 593 M N 1.235 120.287 119.600 -0.914 0.000 2.394 593 M HA -0.085 4.395 4.480 -0.000 0.000 0.266 593 M C 2.365 178.418 176.300 -0.412 0.000 1.098 593 M CA 1.331 56.136 55.300 -0.825 0.000 1.149 593 M CB -0.199 31.639 32.600 -1.270 0.000 1.369 593 M HN -0.048 nan 8.290 nan 0.000 0.450 594 Q N -0.477 119.102 119.800 -0.368 0.000 2.226 594 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 594 Q C 1.643 177.550 176.000 -0.155 0.000 0.975 594 Q CA 1.613 57.270 55.803 -0.244 0.000 0.866 594 Q CB -0.000 28.608 28.738 -0.215 0.000 0.915 594 Q HN 0.469 nan 8.270 nan 0.000 0.440 595 S N 0.228 115.861 115.700 -0.112 0.000 2.562 595 S HA 0.090 4.560 4.470 -0.000 0.000 0.221 595 S C 0.608 175.187 174.600 -0.036 0.000 0.975 595 S CA 0.213 58.382 58.200 -0.052 0.000 0.918 595 S CB 0.111 63.307 63.200 -0.006 0.000 0.772 595 S HN 0.203 nan 8.310 nan 0.000 0.531 596 L N 1.873 123.064 121.223 -0.052 0.000 2.379 596 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 596 L C 0.324 177.159 176.870 -0.058 0.000 1.084 596 L CA -0.477 54.346 54.840 -0.028 0.000 0.802 596 L CB 1.363 43.424 42.059 0.003 0.000 1.175 596 L HN 0.149 nan 8.230 nan 0.000 0.448 597 S N -0.055 115.622 115.700 -0.038 0.000 2.625 597 S HA 0.843 5.313 4.470 -0.000 0.000 0.271 597 S C -0.074 174.509 174.600 -0.029 0.000 1.161 597 S CA -0.227 57.943 58.200 -0.050 0.000 0.820 597 S CB 1.461 64.632 63.200 -0.048 0.000 1.137 597 S HN 1.200 nan 8.310 nan 0.000 0.470 598 G N 1.960 110.741 108.800 -0.032 0.000 2.574 598 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.282 598 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.282 598 G C 1.109 176.012 174.900 0.005 0.000 1.257 598 G CA 1.589 46.683 45.100 -0.011 0.000 0.956 598 G HN 2.215 nan 8.290 nan 0.000 0.560 599 S N -1.502 114.207 115.700 0.016 0.000 2.400 599 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 599 S C 2.217 176.837 174.600 0.034 0.000 1.025 599 S CA 2.694 60.911 58.200 0.028 0.000 0.993 599 S CB -0.852 62.364 63.200 0.027 0.000 0.808 599 S HN 1.161 nan 8.310 nan 0.000 0.478 600 T N 2.645 117.216 114.554 0.029 0.000 2.777 600 T HA 0.098 4.448 4.350 -0.000 0.000 0.266 600 T C 1.696 176.429 174.700 0.055 0.000 1.040 600 T CA 1.175 63.300 62.100 0.041 0.000 1.141 600 T CB -0.471 68.418 68.868 0.035 0.000 0.868 600 T HN 0.304 nan 8.240 nan 0.000 0.444 601 L N 0.701 121.942 121.223 0.030 0.000 2.056 601 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 601 L C 2.798 179.690 176.870 0.037 0.000 1.078 601 L CA 1.417 56.266 54.840 0.016 0.000 0.749 601 L CB -0.243 41.788 42.059 -0.047 0.000 0.901 601 L HN 0.127 nan 8.230 nan 0.000 0.433 602 R N 0.215 120.740 120.500 0.041 0.000 2.083 602 R HA -0.266 4.074 4.340 -0.000 0.000 0.237 602 R C 2.201 178.558 176.300 0.095 0.000 1.137 602 R CA 2.087 58.231 56.100 0.073 0.000 0.951 602 R CB -0.590 29.755 30.300 0.074 0.000 0.851 602 R HN 0.320 nan 8.270 nan 0.000 0.434 603 Q N -0.359 119.493 119.800 0.086 0.000 2.123 603 Q HA 0.113 4.453 4.340 -0.000 0.000 0.199 603 Q C 1.838 177.915 176.000 0.128 0.000 0.966 603 Q CA 1.910 57.770 55.803 0.094 0.000 0.845 603 Q CB -0.391 28.391 28.738 0.074 0.000 0.907 603 Q HN 0.410 nan 8.270 nan 0.000 0.439 604 A N 0.365 123.273 122.820 0.147 0.000 1.933 604 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 604 A C 2.125 179.858 177.584 0.248 0.000 1.175 604 A CA 1.645 53.819 52.037 0.227 0.000 0.628 604 A CB -0.683 18.495 19.000 0.298 0.000 0.814 604 A HN 0.587 nan 8.150 nan 0.000 0.444 605 M N -0.454 119.251 119.600 0.176 0.000 2.086 605 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 605 M C 1.943 178.371 176.300 0.213 0.000 1.067 605 M CA 1.869 57.280 55.300 0.185 0.000 1.116 605 M CB -0.318 32.376 32.600 0.156 0.000 1.348 605 M HN 0.426 nan 8.290 nan 0.000 0.407 606 I N 0.530 121.200 120.570 0.167 0.000 2.179 606 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 606 I C 1.806 178.007 176.117 0.141 0.000 1.088 606 I CA 1.301 62.678 61.300 0.128 0.000 1.357 606 I CB -0.741 37.318 38.000 0.098 0.000 1.051 606 I HN 0.296 nan 8.210 nan 0.000 0.409 607 D N -0.294 120.216 120.400 0.184 0.000 2.144 607 D HA -0.241 4.399 4.640 -0.000 0.000 0.199 607 D C 1.989 178.495 176.300 0.343 0.000 0.984 607 D CA 1.480 55.614 54.000 0.223 0.000 0.834 607 D CB -0.400 40.539 40.800 0.231 0.000 0.955 607 D HN 0.436 nan 8.370 nan 0.000 0.465 608 H N 0.431 119.688 119.070 0.312 0.000 2.321 608 H HA 0.004 4.560 4.556 -0.000 0.000 0.300 608 H C 2.163 177.624 175.328 0.221 0.000 1.087 608 H CA 1.247 57.542 56.048 0.412 0.000 1.319 608 H CB -0.317 29.636 29.762 0.318 0.000 1.379 608 H HN 0.050 nan 8.280 nan 0.000 0.501 609 I N 0.314 120.941 120.570 0.095 0.000 2.163 609 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 609 I C 2.047 178.050 176.117 -0.190 0.000 1.085 609 I CA 1.369 62.607 61.300 -0.103 0.000 1.347 609 I CB -0.328 37.635 38.000 -0.061 0.000 1.044 609 I HN 0.381 nan 8.210 nan 0.000 0.408 610 N N 1.029 119.665 118.700 -0.106 0.000 2.120 610 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 610 N C 1.888 177.242 175.510 -0.259 0.000 1.024 610 N CA 1.645 54.610 53.050 -0.141 0.000 0.852 610 N CB -0.705 37.742 38.487 -0.067 0.000 1.003 610 N HN 0.450 nan 8.380 nan 0.000 0.424 611 G N 0.789 109.346 108.800 -0.403 0.000 2.404 611 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 611 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 611 G C 1.740 176.252 174.900 -0.648 0.000 1.174 611 G CA 0.749 45.260 45.100 -0.981 0.000 0.780 611 G HN 0.189 nan 8.290 nan 0.000 0.537 612 V N 1.001 120.674 119.914 -0.401 0.000 2.323 612 V HA -0.121 3.999 4.120 -0.000 0.000 0.244 612 V C 2.888 178.941 176.094 -0.068 0.000 1.041 612 V CA 1.895 64.172 62.300 -0.038 0.000 1.025 612 V CB -0.409 31.375 31.823 -0.063 0.000 0.656 612 V HN 0.334 nan 8.190 nan 0.000 0.451 613 M N 0.321 119.758 119.600 -0.271 0.000 2.229 613 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 613 M C 2.237 178.479 176.300 -0.097 0.000 1.063 613 M CA 1.853 57.026 55.300 -0.212 0.000 1.114 613 M CB -0.783 31.592 32.600 -0.374 0.000 1.387 613 M HN 0.504 nan 8.290 nan 0.000 0.420 614 G N -0.940 107.757 108.800 -0.173 0.000 2.418 614 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 614 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 614 G C 1.180 175.946 174.900 -0.224 0.000 1.158 614 G CA 1.225 46.224 45.100 -0.169 0.000 0.771 614 G HN 0.476 nan 8.290 nan 0.000 0.545 615 H N -0.594 118.198 119.070 -0.464 0.000 2.387 615 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 615 H C 1.270 176.141 175.328 -0.761 0.000 1.090 615 H CA 1.224 56.798 56.048 -0.790 0.000 1.332 615 H CB -0.089 28.659 29.762 -1.691 0.000 1.386 615 H HN 0.409 nan 8.280 nan 0.000 0.516 616 Y N 0.491 120.597 120.300 -0.323 0.000 2.524 616 Y HA 0.210 4.760 4.550 -0.000 0.000 0.266 616 Y C 0.638 176.466 175.900 -0.121 0.000 1.180 616 Y CA -0.411 57.528 58.100 -0.267 0.000 1.244 616 Y CB -0.115 38.340 38.460 -0.008 0.000 1.125 616 Y HN -0.005 nan 8.280 nan 0.000 0.524 617 K N 0.744 121.130 120.400 -0.024 0.000 2.473 617 K HA 0.088 4.408 4.320 -0.000 0.000 0.277 617 K C 1.277 177.884 176.600 0.011 0.000 1.052 617 K CA 1.300 57.593 56.287 0.010 0.000 1.114 617 K CB -0.250 32.221 32.500 -0.047 0.000 0.869 617 K HN 0.626 nan 8.250 nan 0.000 0.481 618 G N 3.688 112.524 108.800 0.059 0.000 2.184 618 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.264 618 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.264 618 G C 0.441 175.374 174.900 0.054 0.000 0.975 618 G CA 0.788 45.917 45.100 0.048 0.000 0.642 618 G HN 0.731 nan 8.290 nan 0.000 0.536 619 K N -0.604 119.835 120.400 0.066 0.000 2.374 619 K HA 0.381 4.701 4.320 -0.000 0.000 0.202 619 K C 0.347 177.003 176.600 0.094 0.000 1.040 619 K CA -0.148 56.199 56.287 0.100 0.000 1.085 619 K CB 0.960 33.491 32.500 0.050 0.000 0.873 619 K HN 0.314 nan 8.250 nan 0.000 0.539 620 I N 0.974 121.558 120.570 0.023 0.000 2.362 620 I HA 0.211 4.381 4.170 -0.000 0.000 0.289 620 I C 1.106 177.166 176.117 -0.096 0.000 0.994 620 I CA -0.337 60.880 61.300 -0.137 0.000 1.158 620 I CB 1.183 38.930 38.000 -0.420 0.000 1.315 620 I HN -0.023 nan 8.210 nan 0.000 0.451 621 A N 6.199 128.943 122.820 -0.126 0.000 1.873 621 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 621 A C 0.784 178.339 177.584 -0.049 0.000 1.186 621 A CA 1.191 53.183 52.037 -0.074 0.000 0.616 621 A CB 0.054 18.987 19.000 -0.112 0.000 0.823 621 A HN 0.777 nan 8.150 nan 0.000 0.442 622 Q N -3.120 116.606 119.800 -0.124 0.000 2.345 622 Q HA 0.467 4.807 4.340 -0.000 0.000 0.275 622 Q C -2.041 173.887 176.000 -0.120 0.000 1.063 622 Q CA -0.304 55.477 55.803 -0.036 0.000 0.819 622 Q CB 2.094 30.829 28.738 -0.006 0.000 1.356 622 Q HN 0.545 nan 8.270 nan 0.000 0.418 623 W N 1.583 122.901 121.300 0.030 0.000 2.600 623 W HA 0.317 4.977 4.660 -0.000 0.000 0.325 623 W C -0.697 175.829 176.519 0.011 0.000 1.034 623 W CA -0.457 56.894 57.345 0.009 0.000 1.226 623 W CB 1.626 31.084 29.460 -0.004 0.000 1.379 623 W HN 0.444 nan 8.180 nan 0.000 0.466 624 D N 3.566 124.154 120.400 0.313 0.000 2.402 624 D HA 0.058 4.698 4.640 -0.000 0.000 0.235 624 D C 1.100 177.468 176.300 0.114 0.000 1.226 624 D CA 0.219 54.313 54.000 0.158 0.000 0.918 624 D CB 1.449 42.305 40.800 0.092 0.000 1.043 624 D HN 0.124 nan 8.370 nan 0.000 0.506 625 V N 2.122 122.035 119.914 -0.000 0.000 2.307 625 V HA -0.101 4.019 4.120 -0.000 0.000 0.245 625 V C 1.060 177.047 176.094 -0.177 0.000 1.045 625 V CA 1.023 63.176 62.300 -0.246 0.000 1.024 625 V CB 0.097 31.431 31.823 -0.816 0.000 0.651 625 V HN 0.279 nan 8.190 nan 0.000 0.449 626 V N -0.983 118.885 119.914 -0.077 0.000 2.789 626 V HA 0.678 4.798 4.120 -0.000 0.000 0.311 626 V C -0.559 175.568 176.094 0.054 0.000 1.073 626 V CA -0.239 62.144 62.300 0.138 0.000 0.921 626 V CB 1.936 33.935 31.823 0.294 0.000 1.009 626 V HN 0.260 nan 8.190 nan 0.000 0.426 627 S N 1.074 116.853 115.700 0.132 0.000 2.588 627 S HA 0.553 5.023 4.470 -0.000 0.000 0.275 627 S C -0.089 174.826 174.600 0.526 0.000 1.130 627 S CA -0.437 57.788 58.200 0.042 0.000 0.855 627 S CB 0.879 63.916 63.200 -0.271 0.000 1.116 627 S HN 0.996 nan 8.310 nan 0.000 0.472 628 H N 0.542 119.791 119.070 0.299 0.000 2.690 628 H HA -0.226 4.330 4.556 -0.000 0.000 0.309 628 H C 1.082 176.733 175.328 0.538 0.000 1.138 628 H CA 0.469 56.828 56.048 0.518 0.000 1.142 628 H CB -1.417 28.837 29.762 0.820 0.000 1.410 628 H HN 0.596 nan 8.280 nan 0.000 0.409 629 A N -0.162 123.108 122.820 0.750 0.000 2.208 629 A HA 0.198 4.518 4.320 -0.000 0.000 0.209 629 A C 0.478 178.257 177.584 0.325 0.000 1.161 629 A CA 0.318 52.739 52.037 0.640 0.000 0.782 629 A CB 0.189 19.599 19.000 0.683 0.000 0.816 629 A HN 0.199 nan 8.150 nan 0.000 0.477 630 F N -0.783 119.301 119.950 0.223 0.000 2.470 630 F HA 0.525 5.052 4.527 -0.000 0.000 0.329 630 F C 0.932 176.738 175.800 0.010 0.000 1.072 630 F CA -0.860 57.192 58.000 0.087 0.000 0.989 630 F CB 1.533 40.561 39.000 0.048 0.000 1.193 630 F HN -0.064 nan 8.300 nan 0.000 0.481 631 S N 0.302 116.068 115.700 0.110 0.000 2.617 631 S HA 0.165 4.635 4.470 -0.000 0.000 0.269 631 S C 0.359 174.972 174.600 0.022 0.000 1.292 631 S CA -0.555 57.670 58.200 0.041 0.000 1.010 631 S CB 0.471 63.675 63.200 0.007 0.000 0.944 631 S HN 0.610 nan 8.310 nan 0.000 0.536 632 D N 0.963 121.360 120.400 -0.005 0.000 2.369 632 D HA 0.054 4.694 4.640 -0.000 0.000 0.211 632 D C 0.723 176.995 176.300 -0.046 0.000 1.077 632 D CA 0.161 54.135 54.000 -0.044 0.000 0.842 632 D CB 0.075 40.868 40.800 -0.011 0.000 0.947 632 D HN 0.746 nan 8.370 nan 0.000 0.509 633 D N 0.171 120.558 120.400 -0.022 0.000 2.392 633 D HA -0.039 4.601 4.640 -0.000 0.000 0.228 633 D C 1.623 177.906 176.300 -0.028 0.000 1.003 633 D CA 0.963 54.949 54.000 -0.024 0.000 0.917 633 D CB -0.191 40.601 40.800 -0.013 0.000 0.890 633 D HN 0.204 nan 8.370 nan 0.000 0.532 634 G N -0.310 108.471 108.800 -0.031 0.000 2.175 634 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 634 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 634 G C 1.148 176.047 174.900 -0.000 0.000 0.982 634 G CA 0.777 45.861 45.100 -0.026 0.000 0.641 634 G HN 0.718 nan 8.290 nan 0.000 0.527 635 S N -0.108 115.598 115.700 0.010 0.000 2.496 635 S HA 0.396 4.866 4.470 -0.000 0.000 0.224 635 S C 2.291 176.916 174.600 0.042 0.000 0.996 635 S CA 1.465 59.676 58.200 0.019 0.000 0.927 635 S CB 0.128 63.336 63.200 0.013 0.000 0.774 635 S HN 2.366 nan 8.310 nan 0.000 0.524 636 G N 0.504 109.345 108.800 0.069 0.000 2.148 636 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.254 636 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.254 636 G C 0.403 175.432 174.900 0.215 0.000 0.981 636 G CA 0.076 45.254 45.100 0.130 0.000 0.670 636 G HN 1.066 nan 8.290 nan 0.000 0.528 637 G N -1.077 107.793 108.800 0.117 0.000 2.568 637 G HA2 0.633 4.593 3.960 -0.000 0.000 0.293 637 G HA3 0.633 4.593 3.960 -0.000 0.000 0.293 637 G C 0.138 174.937 174.900 -0.167 0.000 1.347 637 G CA -0.891 44.215 45.100 0.011 0.000 1.039 637 G HN 0.314 nan 8.290 nan 0.000 0.523 638 R N 0.039 120.348 120.500 -0.319 0.000 2.539 638 R HA 0.185 4.525 4.340 -0.000 0.000 0.275 638 R C 0.578 176.782 176.300 -0.160 0.000 1.077 638 R CA -0.475 55.379 56.100 -0.409 0.000 1.097 638 R CB 0.874 31.013 30.300 -0.269 0.000 1.018 638 R HN 0.613 nan 8.270 nan 0.000 0.483 639 R N 1.446 121.883 120.500 -0.105 0.000 2.543 639 R HA -0.038 4.302 4.340 -0.000 0.000 0.277 639 R C -0.592 175.665 176.300 -0.072 0.000 1.074 639 R CA -0.211 55.848 56.100 -0.068 0.000 1.076 639 R CB 0.468 30.721 30.300 -0.077 0.000 0.993 639 R HN 0.442 nan 8.270 nan 0.000 0.459 640 D N 2.056 122.408 120.400 -0.081 0.000 2.317 640 D HA 0.150 4.790 4.640 -0.000 0.000 0.252 640 D C -1.177 175.057 176.300 -0.111 0.000 1.174 640 D CA 0.271 54.223 54.000 -0.080 0.000 0.866 640 D CB 0.806 41.569 40.800 -0.062 0.000 1.127 640 D HN 0.576 nan 8.370 nan 0.000 0.467 641 S N 2.419 118.040 115.700 -0.132 0.000 2.615 641 S HA 0.275 4.745 4.470 -0.000 0.000 0.269 641 S C 0.857 175.337 174.600 -0.201 0.000 1.161 641 S CA -0.823 57.284 58.200 -0.155 0.000 0.817 641 S CB 0.860 63.963 63.200 -0.162 0.000 1.131 641 S HN 0.387 nan 8.310 nan 0.000 0.467 642 N N 1.272 119.850 118.700 -0.203 0.000 2.149 642 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 642 N C 1.525 176.848 175.510 -0.312 0.000 1.019 642 N CA 1.595 54.519 53.050 -0.211 0.000 0.857 642 N CB -1.065 37.310 38.487 -0.185 0.000 0.997 642 N HN 0.649 nan 8.380 nan 0.000 0.426 643 L N -0.302 120.627 121.223 -0.490 0.000 2.017 643 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 643 L C 2.805 179.049 176.870 -1.043 0.000 1.073 643 L CA 1.516 55.836 54.840 -0.866 0.000 0.745 643 L CB -0.592 40.606 42.059 -1.434 0.000 0.894 643 L HN 0.221 nan 8.230 nan 0.000 0.432 644 Q N 0.612 119.919 119.800 -0.822 0.000 2.124 644 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 644 Q C 2.138 178.056 176.000 -0.137 0.000 0.977 644 Q CA 1.578 57.186 55.803 -0.324 0.000 0.850 644 Q CB -0.101 28.615 28.738 -0.037 0.000 0.901 644 Q HN 0.279 nan 8.270 nan 0.000 0.429 645 R N -0.546 119.853 120.500 -0.167 0.000 2.285 645 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 645 R C 1.976 178.239 176.300 -0.062 0.000 1.068 645 R CA 1.387 57.434 56.100 -0.089 0.000 1.004 645 R CB -0.263 29.981 30.300 -0.092 0.000 0.873 645 R HN 0.497 nan 8.270 nan 0.000 0.467 646 T N -2.867 111.634 114.554 -0.088 0.000 3.055 646 T HA 0.180 4.530 4.350 -0.000 0.000 0.265 646 T C 0.832 175.562 174.700 0.050 0.000 1.111 646 T CA 0.497 62.583 62.100 -0.023 0.000 1.118 646 T CB 0.558 69.410 68.868 -0.027 0.000 0.909 646 T HN 0.311 nan 8.240 nan 0.000 0.501 647 G N 0.661 109.514 108.800 0.089 0.000 2.306 647 G HA2 0.060 4.020 3.960 -0.000 0.000 0.340 647 G HA3 0.060 4.020 3.960 -0.000 0.000 0.340 647 G C -0.146 174.914 174.900 0.267 0.000 1.630 647 G CA -0.289 44.896 45.100 0.142 0.000 0.937 647 G HN 0.078 nan 8.290 nan 0.000 0.693 648 N N 0.339 119.162 118.700 0.204 0.000 2.348 648 N HA -0.123 4.617 4.740 -0.000 0.000 0.185 648 N C 1.800 177.428 175.510 0.197 0.000 1.019 648 N CA 2.011 55.191 53.050 0.216 0.000 0.880 648 N CB 0.166 38.719 38.487 0.110 0.000 0.965 648 N HN 0.643 nan 8.380 nan 0.000 0.437 649 D N -0.340 120.171 120.400 0.185 0.000 2.336 649 D HA -0.128 4.512 4.640 -0.000 0.000 0.229 649 D C 1.725 178.126 176.300 0.167 0.000 1.061 649 D CA -0.021 54.061 54.000 0.137 0.000 0.875 649 D CB -0.985 39.878 40.800 0.105 0.000 0.904 649 D HN 0.587 nan 8.370 nan 0.000 0.525 650 W N 1.394 122.753 121.300 0.099 0.000 2.342 650 W HA -0.116 4.544 4.660 -0.000 0.000 0.297 650 W C 1.486 178.099 176.519 0.157 0.000 1.213 650 W CA 0.184 57.592 57.345 0.105 0.000 1.251 650 W CB -1.027 28.487 29.460 0.091 0.000 1.136 650 W HN -0.071 nan 8.180 nan 0.000 0.526 651 I N 1.300 121.525 120.570 -0.575 0.000 2.202 651 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 651 I C 2.788 178.945 176.117 0.067 0.000 1.091 651 I CA 2.163 63.204 61.300 -0.431 0.000 1.368 651 I CB -0.776 36.992 38.000 -0.386 0.000 1.058 651 I HN 0.021 nan 8.210 nan 0.000 0.410 652 E N 1.118 121.308 120.200 -0.017 0.000 2.085 652 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 652 E C 2.314 178.868 176.600 -0.077 0.000 0.994 652 E CA 1.620 57.856 56.400 -0.274 0.000 0.801 652 E CB 0.135 29.667 29.700 -0.281 0.000 0.743 652 E HN 0.262 nan 8.360 nan 0.000 0.453 653 V N 1.177 121.100 119.914 0.015 0.000 2.407 653 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 653 V C 2.450 178.579 176.094 0.059 0.000 1.055 653 V CA 1.740 64.070 62.300 0.050 0.000 1.049 653 V CB -0.766 31.118 31.823 0.102 0.000 0.662 653 V HN 0.439 nan 8.190 nan 0.000 0.455 654 A N -0.484 122.381 122.820 0.075 0.000 1.902 654 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 654 A C 2.041 179.561 177.584 -0.106 0.000 1.181 654 A CA 1.874 53.912 52.037 0.003 0.000 0.623 654 A CB -0.703 18.293 19.000 -0.007 0.000 0.818 654 A HN 0.467 nan 8.150 nan 0.000 0.443 655 F N -0.258 119.669 119.950 -0.038 0.000 2.146 655 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 655 F C 2.595 178.357 175.800 -0.063 0.000 1.096 655 F CA 1.606 59.577 58.000 -0.048 0.000 1.275 655 F CB -0.243 38.696 39.000 -0.101 0.000 1.008 655 F HN 0.092 nan 8.300 nan 0.000 0.480 656 R N -0.553 119.994 120.500 0.079 0.000 2.081 656 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 656 R C 2.092 178.402 176.300 0.015 0.000 1.131 656 R CA 1.901 58.016 56.100 0.026 0.000 0.960 656 R CB -0.954 29.341 30.300 -0.007 0.000 0.856 656 R HN 0.216 nan 8.270 nan 0.000 0.436 657 T N 0.867 115.423 114.554 0.005 0.000 2.708 657 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 657 T C 1.954 176.629 174.700 -0.041 0.000 1.037 657 T CA 1.430 63.522 62.100 -0.012 0.000 1.146 657 T CB -0.251 68.614 68.868 -0.006 0.000 0.865 657 T HN 0.377 nan 8.240 nan 0.000 0.435 658 A N 1.837 124.615 122.820 -0.069 0.000 1.902 658 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 658 A C 2.249 179.813 177.584 -0.034 0.000 1.181 658 A CA 2.057 54.030 52.037 -0.106 0.000 0.623 658 A CB -0.570 18.330 19.000 -0.168 0.000 0.818 658 A HN 0.347 nan 8.150 nan 0.000 0.443 659 R N 0.283 120.796 120.500 0.022 0.000 2.091 659 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 659 R C 2.083 178.395 176.300 0.020 0.000 1.136 659 R CA 2.125 58.251 56.100 0.045 0.000 0.959 659 R CB -0.857 29.479 30.300 0.059 0.000 0.856 659 R HN 0.388 nan 8.270 nan 0.000 0.437 660 A N 0.009 122.832 122.820 0.004 0.000 1.930 660 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 660 A C 2.348 179.923 177.584 -0.016 0.000 1.175 660 A CA 1.500 53.535 52.037 -0.003 0.000 0.627 660 A CB -0.897 18.099 19.000 -0.005 0.000 0.815 660 A HN 0.496 nan 8.150 nan 0.000 0.443 661 A N -1.252 121.546 122.820 -0.036 0.000 1.930 661 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 661 A C 0.904 178.465 177.584 -0.039 0.000 1.175 661 A CA 1.693 53.696 52.037 -0.058 0.000 0.627 661 A CB -0.051 18.884 19.000 -0.108 0.000 0.815 661 A HN 0.397 nan 8.150 nan 0.000 0.443 662 D N -2.723 117.669 120.400 -0.014 0.000 2.337 662 D HA 0.323 4.963 4.640 -0.000 0.000 0.238 662 D C -2.581 173.753 176.300 0.056 0.000 1.331 662 D CA -1.409 52.609 54.000 0.030 0.000 0.967 662 D CB 1.125 41.969 40.800 0.073 0.000 1.382 662 D HN -0.101 nan 8.370 nan 0.000 0.549 663 P HA 0.029 nan 4.420 nan 0.000 0.228 663 P C 0.899 178.239 177.300 0.066 0.000 1.151 663 P CA 0.678 63.809 63.100 0.051 0.000 0.770 663 P CB 0.424 32.145 31.700 0.035 0.000 0.786 664 A N -0.889 121.973 122.820 0.071 0.000 2.132 664 A HA 0.391 4.711 4.320 -0.000 0.000 0.213 664 A C 1.281 178.923 177.584 0.097 0.000 1.154 664 A CA 0.393 52.474 52.037 0.073 0.000 0.753 664 A CB -0.672 18.364 19.000 0.061 0.000 0.826 664 A HN 0.222 nan 8.150 nan 0.000 0.469 665 A N 0.339 123.241 122.820 0.138 0.000 2.327 665 A HA 0.530 4.850 4.320 -0.000 0.000 0.283 665 A C 0.032 177.720 177.584 0.174 0.000 1.127 665 A CA -0.505 51.639 52.037 0.179 0.000 0.810 665 A CB 0.256 19.461 19.000 0.342 0.000 1.066 665 A HN 0.348 nan 8.150 nan 0.000 0.492 666 K N 1.590 122.084 120.400 0.156 0.000 2.276 666 K HA 0.375 4.695 4.320 -0.000 0.000 0.283 666 K C -1.005 175.731 176.600 0.226 0.000 1.044 666 K CA 0.114 56.500 56.287 0.164 0.000 0.944 666 K CB 0.663 33.244 32.500 0.135 0.000 1.012 666 K HN 0.582 nan 8.250 nan 0.000 0.472 667 L N 4.087 125.470 121.223 0.266 0.000 2.264 667 L HA 0.337 4.677 4.340 -0.000 0.000 0.289 667 L C -0.378 176.770 176.870 0.464 0.000 1.044 667 L CA -0.888 54.178 54.840 0.377 0.000 0.807 667 L CB 0.898 43.232 42.059 0.460 0.000 1.192 667 L HN 0.648 nan 8.230 nan 0.000 0.425 668 c N 1.959 120.817 118.600 0.430 0.000 2.529 668 c HA 0.479 5.049 4.570 -0.000 0.000 0.329 668 c C -0.275 174.118 174.090 0.506 0.000 1.194 668 c CA -0.935 55.622 56.329 0.379 0.000 1.779 668 c CB 1.519 44.146 42.510 0.195 0.000 2.322 668 c HN 0.631 nan 8.230 nan 0.000 0.500 669 Y N 2.495 122.992 120.300 0.328 0.000 2.331 669 Y HA 0.536 5.086 4.550 -0.000 0.000 0.338 669 Y C -0.246 175.687 175.900 0.056 0.000 0.992 669 Y CA -0.296 57.989 58.100 0.308 0.000 1.121 669 Y CB 0.536 39.108 38.460 0.188 0.000 1.184 669 Y HN 0.797 nan 8.280 nan 0.000 0.469 670 N N 4.158 122.400 118.700 -0.764 0.000 2.314 670 N HA 0.456 5.196 4.740 -0.000 0.000 0.304 670 N C -1.948 173.200 175.510 -0.602 0.000 1.073 670 N CA -0.285 52.441 53.050 -0.541 0.000 0.822 670 N CB 1.340 39.680 38.487 -0.245 0.000 1.280 670 N HN 0.771 nan 8.380 nan 0.000 0.489 671 D N -0.030 120.151 120.400 -0.366 0.000 2.671 671 D HA 0.245 4.885 4.640 -0.000 0.000 0.273 671 D C -1.513 174.716 176.300 -0.120 0.000 1.264 671 D CA -0.266 53.618 54.000 -0.193 0.000 0.788 671 D CB 0.887 41.609 40.800 -0.129 0.000 1.324 671 D HN 0.430 nan 8.370 nan 0.000 0.424 672 Y N -0.473 119.729 120.300 -0.164 0.000 2.587 672 Y HA 0.578 5.128 4.550 -0.000 0.000 0.337 672 Y C 0.470 176.389 175.900 0.032 0.000 1.065 672 Y CA -0.949 57.103 58.100 -0.080 0.000 1.126 672 Y CB 0.595 39.015 38.460 -0.067 0.000 1.279 672 Y HN 0.284 nan 8.280 nan 0.000 0.489 673 N N 0.558 119.376 118.700 0.197 0.000 2.725 673 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 673 N C -0.359 175.382 175.510 0.385 0.000 1.103 673 N CA 1.452 54.667 53.050 0.276 0.000 0.707 673 N CB -1.404 37.057 38.487 -0.044 0.000 1.043 673 N HN 0.887 nan 8.380 nan 0.000 0.553 674 I N -4.122 116.647 120.570 0.332 0.000 3.817 674 I HA 0.328 4.498 4.170 -0.000 0.000 0.325 674 I C 0.792 177.207 176.117 0.496 0.000 1.550 674 I CA -0.460 61.043 61.300 0.338 0.000 1.100 674 I CB 0.591 38.664 38.000 0.122 0.000 1.216 674 I HN -0.237 nan 8.210 nan 0.000 0.481 675 E N 1.133 121.579 120.200 0.410 0.000 2.140 675 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 675 E C 0.753 177.435 176.600 0.136 0.000 0.973 675 E CA 0.339 56.933 56.400 0.323 0.000 0.829 675 E CB 0.053 29.738 29.700 -0.025 0.000 0.781 675 E HN 0.366 nan 8.360 nan 0.000 0.466 676 N N 0.870 119.344 118.700 -0.375 0.000 2.411 676 N HA -0.080 4.660 4.740 -0.000 0.000 0.259 676 N C 0.209 175.482 175.510 -0.395 0.000 1.103 676 N CA -0.044 52.556 53.050 -0.749 0.000 0.954 676 N CB 0.322 37.544 38.487 -2.108 0.000 1.085 676 N HN 0.280 nan 8.380 nan 0.000 0.485 677 W N 3.782 124.932 121.300 -0.250 0.000 2.342 677 W HA -0.229 4.431 4.660 -0.000 0.000 0.297 677 W C 1.351 177.799 176.519 -0.117 0.000 1.213 677 W CA 2.101 59.376 57.345 -0.117 0.000 1.251 677 W CB -0.137 29.257 29.460 -0.110 0.000 1.136 677 W HN 0.639 nan 8.180 nan 0.000 0.526 678 T N -2.100 112.252 114.554 -0.337 0.000 3.007 678 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 678 T C 0.553 175.170 174.700 -0.138 0.000 1.107 678 T CA 0.319 62.254 62.100 -0.274 0.000 1.118 678 T CB -0.702 68.100 68.868 -0.110 0.000 0.889 678 T HN -0.039 nan 8.240 nan 0.000 0.506 679 W N 1.243 122.431 121.300 -0.186 0.000 2.190 679 W HA 0.684 5.344 4.660 -0.000 0.000 0.330 679 W C 1.584 177.987 176.519 -0.193 0.000 1.299 679 W CA -1.546 55.717 57.345 -0.137 0.000 1.215 679 W CB 0.130 29.551 29.460 -0.066 0.000 1.147 679 W HN 0.227 nan 8.180 nan 0.000 0.563 680 A N 2.896 125.774 122.820 0.096 0.000 1.940 680 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 680 A C 2.105 179.697 177.584 0.013 0.000 1.176 680 A CA 1.828 53.869 52.037 0.006 0.000 0.631 680 A CB -0.465 18.545 19.000 0.017 0.000 0.814 680 A HN 0.700 nan 8.150 nan 0.000 0.446 681 K N -0.849 119.586 120.400 0.059 0.000 2.026 681 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 681 K C 2.051 178.637 176.600 -0.023 0.000 1.048 681 K CA 1.858 58.172 56.287 0.044 0.000 0.929 681 K CB -0.351 32.169 32.500 0.032 0.000 0.713 681 K HN 0.464 nan 8.250 nan 0.000 0.439 682 T N 1.368 115.954 114.554 0.052 0.000 2.684 682 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 682 T C 1.806 176.489 174.700 -0.029 0.000 1.036 682 T CA 1.602 63.749 62.100 0.079 0.000 1.148 682 T CB -0.192 68.712 68.868 0.060 0.000 0.863 682 T HN 0.397 nan 8.240 nan 0.000 0.436 683 Q N 0.103 119.751 119.800 -0.254 0.000 2.230 683 Q HA 0.038 4.378 4.340 -0.000 0.000 0.202 683 Q C 2.732 178.687 176.000 -0.075 0.000 0.963 683 Q CA 1.033 56.665 55.803 -0.284 0.000 0.866 683 Q CB -0.304 28.190 28.738 -0.407 0.000 0.931 683 Q HN 0.608 nan 8.270 nan 0.000 0.452 684 G N 0.189 108.938 108.800 -0.084 0.000 2.402 684 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 684 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 684 G C 1.483 176.180 174.900 -0.338 0.000 1.162 684 G CA 0.574 45.653 45.100 -0.035 0.000 0.777 684 G HN 0.186 nan 8.290 nan 0.000 0.539 685 V N -0.100 119.439 119.914 -0.624 0.000 2.358 685 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 685 V C 2.257 178.272 176.094 -0.131 0.000 1.047 685 V CA 1.693 63.582 62.300 -0.686 0.000 1.035 685 V CB -0.696 30.880 31.823 -0.411 0.000 0.658 685 V HN 0.485 nan 8.190 nan 0.000 0.452 686 Y N 2.023 122.293 120.300 -0.050 0.000 2.128 686 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 686 Y C 2.529 178.290 175.900 -0.232 0.000 1.154 686 Y CA 2.174 60.093 58.100 -0.302 0.000 1.149 686 Y CB -0.312 37.941 38.460 -0.344 0.000 0.976 686 Y HN 0.302 nan 8.280 nan 0.000 0.505 687 N N 0.170 118.847 118.700 -0.038 0.000 2.166 687 N HA -0.241 4.499 4.740 -0.000 0.000 0.186 687 N C 2.013 177.386 175.510 -0.230 0.000 1.019 687 N CA 1.824 54.820 53.050 -0.089 0.000 0.856 687 N CB -0.592 37.905 38.487 0.017 0.000 0.993 687 N HN 0.551 nan 8.380 nan 0.000 0.426 688 M N 0.475 119.899 119.600 -0.293 0.000 2.099 688 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 688 M C 1.597 177.419 176.300 -0.797 0.000 1.067 688 M CA 1.304 56.289 55.300 -0.525 0.000 1.124 688 M CB 0.033 32.311 32.600 -0.536 0.000 1.353 688 M HN -0.120 nan 8.290 nan 0.000 0.410 689 V N 0.724 120.273 119.914 -0.608 0.000 2.407 689 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 689 V C 2.508 178.400 176.094 -0.336 0.000 1.055 689 V CA 2.251 64.283 62.300 -0.447 0.000 1.049 689 V CB -1.091 30.626 31.823 -0.177 0.000 0.662 689 V HN 0.566 nan 8.190 nan 0.000 0.455 690 R N 0.431 120.666 120.500 -0.441 0.000 2.073 690 R HA -0.245 4.095 4.340 -0.000 0.000 0.234 690 R C 2.151 178.349 176.300 -0.170 0.000 1.134 690 R CA 2.372 58.257 56.100 -0.359 0.000 0.952 690 R CB -0.512 29.518 30.300 -0.449 0.000 0.850 690 R HN 0.607 nan 8.270 nan 0.000 0.433 691 D N -0.364 119.943 120.400 -0.156 0.000 2.104 691 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 691 D C 1.699 178.075 176.300 0.126 0.000 0.994 691 D CA 1.368 55.354 54.000 -0.023 0.000 0.830 691 D CB -0.128 40.657 40.800 -0.025 0.000 0.959 691 D HN 0.177 nan 8.370 nan 0.000 0.452 692 F N 1.104 120.977 119.950 -0.129 0.000 2.069 692 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 692 F C 2.351 178.085 175.800 -0.110 0.000 1.113 692 F CA 0.995 58.915 58.000 -0.134 0.000 1.214 692 F CB -0.872 38.001 39.000 -0.211 0.000 0.978 692 F HN 0.021 nan 8.300 nan 0.000 0.474 693 K N 0.395 120.851 120.400 0.092 0.000 2.097 693 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 693 K C 1.957 178.563 176.600 0.011 0.000 1.049 693 K CA 1.036 57.336 56.287 0.023 0.000 0.933 693 K CB -0.816 31.674 32.500 -0.017 0.000 0.717 693 K HN 0.445 nan 8.250 nan 0.000 0.442 694 Q N 0.211 120.015 119.800 0.007 0.000 2.167 694 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 694 Q C 1.587 177.595 176.000 0.012 0.000 0.970 694 Q CA 1.146 56.951 55.803 0.004 0.000 0.855 694 Q CB 0.018 28.755 28.738 -0.002 0.000 0.911 694 Q HN 0.240 nan 8.270 nan 0.000 0.438 695 R N -0.944 119.570 120.500 0.024 0.000 2.359 695 R HA 0.138 4.478 4.340 -0.000 0.000 0.231 695 R C 0.694 176.989 176.300 -0.008 0.000 0.913 695 R CA 0.485 56.592 56.100 0.012 0.000 1.075 695 R CB 0.790 31.104 30.300 0.023 0.000 1.087 695 R HN 0.323 nan 8.270 nan 0.000 0.515 696 G N 1.055 109.850 108.800 -0.008 0.000 2.148 696 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 696 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 696 G C 0.226 175.094 174.900 -0.053 0.000 0.981 696 G CA 0.024 45.111 45.100 -0.020 0.000 0.670 696 G HN 0.149 nan 8.290 nan 0.000 0.528 697 V N 2.892 122.745 119.914 -0.101 0.000 2.529 697 V HA 0.298 4.418 4.120 -0.000 0.000 0.292 697 V C -0.934 175.064 176.094 -0.160 0.000 1.028 697 V CA -0.613 61.548 62.300 -0.231 0.000 1.074 697 V CB 0.978 32.434 31.823 -0.611 0.000 0.958 697 V HN 0.313 nan 8.190 nan 0.000 0.481 698 P HA 0.281 nan 4.420 nan 0.000 0.269 698 P C -0.634 176.673 177.300 0.013 0.000 1.263 698 P CA 0.349 63.448 63.100 -0.002 0.000 0.813 698 P CB 0.749 32.481 31.700 0.055 0.000 0.868 699 I N 2.967 123.521 120.570 -0.026 0.000 2.610 699 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 699 I C -0.165 175.983 176.117 0.051 0.000 1.163 699 I CA -0.597 60.664 61.300 -0.065 0.000 1.044 699 I CB 2.468 40.285 38.000 -0.305 0.000 1.251 699 I HN 0.057 nan 8.210 nan 0.000 0.424 700 D N 5.910 126.387 120.400 0.128 0.000 2.454 700 D HA 0.195 4.835 4.640 -0.000 0.000 0.214 700 D C -0.170 176.210 176.300 0.134 0.000 1.088 700 D CA 0.447 54.522 54.000 0.125 0.000 0.855 700 D CB 0.692 41.575 40.800 0.140 0.000 1.025 700 D HN 0.581 nan 8.370 nan 0.000 0.502 701 c N -1.004 117.689 118.600 0.156 0.000 3.311 701 c HA 0.756 5.326 4.570 -0.000 0.000 0.325 701 c C -0.720 173.453 174.090 0.138 0.000 1.352 701 c CA -1.004 55.416 56.329 0.153 0.000 1.308 701 c CB 1.554 44.158 42.510 0.157 0.000 1.619 701 c HN -0.109 nan 8.230 nan 0.000 0.469 702 V N 1.343 121.311 119.914 0.089 0.000 2.531 702 V HA 0.789 4.909 4.120 -0.000 0.000 0.301 702 V C 0.620 176.608 176.094 -0.177 0.000 1.034 702 V CA 0.243 62.488 62.300 -0.092 0.000 0.865 702 V CB 1.778 33.420 31.823 -0.301 0.000 0.995 702 V HN 1.369 nan 8.190 nan 0.000 0.424 703 G N 3.387 112.027 108.800 -0.267 0.000 2.343 703 G HA2 0.634 4.594 3.960 -0.000 0.000 0.319 703 G HA3 0.634 4.594 3.960 -0.000 0.000 0.319 703 G C -1.121 173.532 174.900 -0.412 0.000 1.126 703 G CA -0.257 44.733 45.100 -0.184 0.000 0.889 703 G HN 0.429 nan 8.290 nan 0.000 0.457 704 F N 1.350 121.272 119.950 -0.046 0.000 2.332 704 F HA 0.290 4.817 4.527 -0.000 0.000 0.368 704 F C 1.677 177.398 175.800 -0.131 0.000 1.110 704 F CA -0.670 57.313 58.000 -0.029 0.000 1.087 704 F CB 1.895 41.002 39.000 0.178 0.000 1.235 704 F HN 0.543 nan 8.300 nan 0.000 0.470 705 Q N 1.230 120.956 119.800 -0.124 0.000 2.112 705 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 705 Q C 0.696 176.369 176.000 -0.545 0.000 0.987 705 Q CA 1.590 57.176 55.803 -0.362 0.000 0.858 705 Q CB -0.184 28.371 28.738 -0.305 0.000 0.905 705 Q HN 0.764 nan 8.270 nan 0.000 0.420 706 S N 0.342 115.746 115.700 -0.493 0.000 3.711 706 S HA -0.119 4.351 4.470 -0.000 0.000 0.374 706 S C -0.761 173.197 174.600 -1.069 0.000 0.969 706 S CA 0.113 57.732 58.200 -0.968 0.000 1.198 706 S CB -1.460 61.413 63.200 -0.545 0.000 0.903 706 S HN 0.401 nan 8.310 nan 0.000 0.493 707 H N 0.671 119.405 119.070 -0.562 0.000 2.908 707 H HA 0.360 4.915 4.556 -0.000 0.000 0.269 707 H C 0.022 175.209 175.328 -0.235 0.000 1.303 707 H CA -0.182 55.730 56.048 -0.226 0.000 1.341 707 H CB -0.210 29.570 29.762 0.029 0.000 1.519 707 H HN 0.279 nan 8.280 nan 0.000 0.505 708 F N 2.867 122.914 119.950 0.160 0.000 2.404 708 F HA 0.220 4.747 4.527 -0.000 0.000 0.339 708 F C 0.739 176.599 175.800 0.101 0.000 1.105 708 F CA -0.728 57.343 58.000 0.117 0.000 1.087 708 F CB 1.079 40.111 39.000 0.054 0.000 1.143 708 F HN 0.528 nan 8.300 nan 0.000 0.491 709 N N -2.188 116.696 118.700 0.307 0.000 3.179 709 N HA 0.197 4.937 4.740 -0.000 0.000 0.250 709 N C -0.037 175.567 175.510 0.158 0.000 1.507 709 N CA -0.415 52.742 53.050 0.179 0.000 0.883 709 N CB 0.544 39.097 38.487 0.109 0.000 1.435 709 N HN 0.234 nan 8.380 nan 0.000 0.532 710 S N -2.256 113.507 115.700 0.105 0.000 2.500 710 S HA 0.024 4.494 4.470 -0.000 0.000 0.239 710 S C 1.509 176.165 174.600 0.093 0.000 0.989 710 S CA 1.000 59.255 58.200 0.092 0.000 0.951 710 S CB -1.102 62.137 63.200 0.064 0.000 0.759 710 S HN 0.790 nan 8.310 nan 0.000 0.523 711 G N 0.322 109.176 108.800 0.089 0.000 2.453 711 G HA2 0.213 4.173 3.960 -0.000 0.000 0.215 711 G HA3 0.213 4.173 3.960 -0.000 0.000 0.215 711 G C 0.476 175.439 174.900 0.105 0.000 1.147 711 G CA 0.251 45.393 45.100 0.070 0.000 0.802 711 G HN 0.551 nan 8.290 nan 0.000 0.535 712 S N 1.914 117.721 115.700 0.179 0.000 2.216 712 S HA 0.368 4.838 4.470 -0.000 0.000 0.156 712 S C -2.796 172.064 174.600 0.435 0.000 1.665 712 S CA -0.767 57.619 58.200 0.310 0.000 1.262 712 S CB 2.253 65.609 63.200 0.260 0.000 1.207 712 S HN 0.171 nan 8.310 nan 0.000 0.427 713 P HA 0.081 nan 4.420 nan 0.000 0.272 713 P C -0.472 176.894 177.300 0.109 0.000 1.223 713 P CA -0.361 62.875 63.100 0.227 0.000 0.784 713 P CB 0.511 32.289 31.700 0.130 0.000 0.923 714 Y N 3.016 123.106 120.300 -0.350 0.000 2.597 714 Y HA 0.141 4.691 4.550 -0.000 0.000 0.336 714 Y C 0.051 175.719 175.900 -0.387 0.000 1.216 714 Y CA 0.325 57.892 58.100 -0.890 0.000 1.463 714 Y CB 0.229 37.936 38.460 -1.254 0.000 1.303 714 Y HN 0.350 nan 8.280 nan 0.000 0.576 715 N N 2.621 120.580 118.700 -1.236 0.000 2.258 715 N HA 0.089 4.829 4.740 -0.000 0.000 0.299 715 N C 0.267 175.119 175.510 -1.096 0.000 1.047 715 N CA 0.193 52.722 53.050 -0.868 0.000 0.814 715 N CB 2.045 40.237 38.487 -0.491 0.000 1.413 715 N HN 0.823 nan 8.380 nan 0.000 0.478 716 S N 2.337 117.654 115.700 -0.638 0.000 2.440 716 S HA -0.219 4.251 4.470 -0.000 0.000 0.238 716 S C 1.193 175.690 174.600 -0.171 0.000 1.010 716 S CA 1.265 59.287 58.200 -0.296 0.000 0.972 716 S CB -0.520 62.631 63.200 -0.082 0.000 0.774 716 S HN 0.778 nan 8.310 nan 0.000 0.501 717 N N 1.045 119.632 118.700 -0.188 0.000 2.571 717 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 717 N C 0.964 176.465 175.510 -0.014 0.000 1.154 717 N CA 0.292 53.287 53.050 -0.091 0.000 0.907 717 N CB -1.001 37.449 38.487 -0.062 0.000 0.977 717 N HN 0.426 nan 8.380 nan 0.000 0.449 718 F N 1.738 121.554 119.950 -0.223 0.000 2.216 718 F HA 0.023 4.550 4.527 0.000 0.000 0.300 718 F C 2.297 178.038 175.800 -0.099 0.000 1.085 718 F CA 0.892 58.811 58.000 -0.134 0.000 1.326 718 F CB -0.302 38.652 39.000 -0.075 0.000 1.027 718 F HN 0.097 nan 8.300 nan 0.000 0.497 719 R N -0.172 120.246 120.500 -0.136 0.000 2.096 719 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 719 R C 2.297 178.453 176.300 -0.239 0.000 1.127 719 R CA 2.022 57.976 56.100 -0.243 0.000 0.968 719 R CB -0.572 29.658 30.300 -0.117 0.000 0.861 719 R HN 0.477 nan 8.270 nan 0.000 0.440 720 T N -2.785 111.656 114.554 -0.188 0.000 2.904 720 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 720 T C 1.770 176.306 174.700 -0.273 0.000 1.059 720 T CA 1.585 63.535 62.100 -0.251 0.000 1.137 720 T CB -0.272 68.419 68.868 -0.295 0.000 0.879 720 T HN 0.144 nan 8.240 nan 0.000 0.467 721 T N 2.445 116.932 114.554 -0.113 0.000 2.737 721 T HA 0.131 4.481 4.350 -0.000 0.000 0.265 721 T C 1.889 176.637 174.700 0.079 0.000 1.038 721 T CA 1.292 63.483 62.100 0.151 0.000 1.144 721 T CB -0.487 68.596 68.868 0.358 0.000 0.866 721 T HN 0.296 nan 8.240 nan 0.000 0.434 722 L N 0.717 121.748 121.223 -0.319 0.000 2.046 722 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 722 L C 2.917 179.733 176.870 -0.090 0.000 1.077 722 L CA 1.510 56.131 54.840 -0.366 0.000 0.747 722 L CB -0.629 41.051 42.059 -0.632 0.000 0.896 722 L HN 0.331 nan 8.230 nan 0.000 0.432 723 Q N -0.303 119.412 119.800 -0.141 0.000 2.084 723 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 723 Q C 2.081 178.045 176.000 -0.061 0.000 0.978 723 Q CA 1.451 57.192 55.803 -0.103 0.000 0.844 723 Q CB -0.116 28.531 28.738 -0.152 0.000 0.898 723 Q HN 0.489 nan 8.270 nan 0.000 0.426 724 N N 0.136 118.765 118.700 -0.118 0.000 2.084 724 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 724 N C 1.501 177.085 175.510 0.123 0.000 1.030 724 N CA 1.227 54.190 53.050 -0.145 0.000 0.849 724 N CB -0.368 37.778 38.487 -0.568 0.000 1.012 724 N HN 0.173 nan 8.380 nan 0.000 0.423 725 F N 1.321 121.401 119.950 0.216 0.000 2.146 725 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 725 F C 2.388 178.261 175.800 0.122 0.000 1.096 725 F CA 0.974 59.127 58.000 0.254 0.000 1.275 725 F CB -0.523 38.694 39.000 0.360 0.000 1.008 725 F HN 0.013 nan 8.300 nan 0.000 0.480 726 A N -0.031 122.937 122.820 0.246 0.000 1.978 726 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 726 A C 2.318 179.949 177.584 0.078 0.000 1.170 726 A CA 1.588 53.703 52.037 0.131 0.000 0.636 726 A CB -1.226 17.811 19.000 0.062 0.000 0.810 726 A HN 0.300 nan 8.150 nan 0.000 0.448 727 A N -0.625 122.230 122.820 0.058 0.000 2.172 727 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 727 A C 1.871 179.466 177.584 0.019 0.000 1.154 727 A CA 1.009 53.061 52.037 0.025 0.000 0.701 727 A CB -0.470 18.533 19.000 0.005 0.000 0.789 727 A HN 0.481 nan 8.150 nan 0.000 0.465 728 L N -1.475 119.759 121.223 0.020 0.000 2.554 728 L HA 0.152 4.492 4.340 -0.000 0.000 0.226 728 L C 1.566 178.432 176.870 -0.006 0.000 1.137 728 L CA 0.630 55.447 54.840 -0.039 0.000 0.863 728 L CB -0.148 41.830 42.059 -0.135 0.000 0.985 728 L HN 0.574 nan 8.230 nan 0.000 0.451 729 G N 0.753 109.570 108.800 0.028 0.000 2.131 729 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.201 729 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.201 729 G C -0.014 174.918 174.900 0.054 0.000 1.000 729 G CA 0.027 45.147 45.100 0.034 0.000 0.680 729 G HN 0.217 nan 8.290 nan 0.000 0.514 730 V N -3.219 116.746 119.914 0.085 0.000 3.001 730 V HA 0.887 5.007 4.120 -0.000 0.000 0.314 730 V C -0.194 175.976 176.094 0.126 0.000 1.099 730 V CA -1.457 60.908 62.300 0.109 0.000 0.989 730 V CB 2.133 34.037 31.823 0.136 0.000 1.040 730 V HN 0.031 nan 8.190 nan 0.000 0.434 731 D N 1.234 121.707 120.400 0.122 0.000 2.383 731 D HA 0.624 5.264 4.640 -0.000 0.000 0.248 731 D C -0.039 176.354 176.300 0.155 0.000 1.170 731 D CA 0.122 54.194 54.000 0.119 0.000 0.977 731 D CB 2.026 42.893 40.800 0.112 0.000 1.120 731 D HN 0.952 nan 8.370 nan 0.000 0.481 732 V N -3.172 116.829 119.914 0.145 0.000 3.040 732 V HA 0.957 5.077 4.120 -0.000 0.000 0.312 732 V C -0.944 175.248 176.094 0.163 0.000 1.115 732 V CA -0.977 61.448 62.300 0.209 0.000 0.998 732 V CB 1.552 33.492 31.823 0.194 0.000 1.042 732 V HN 0.703 nan 8.190 nan 0.000 0.433 733 A N 3.102 126.063 122.820 0.235 0.000 2.547 733 A HA 0.840 5.160 4.320 -0.000 0.000 0.297 733 A C -1.062 176.660 177.584 0.229 0.000 1.056 733 A CA -0.631 51.509 52.037 0.171 0.000 0.688 733 A CB 1.524 20.637 19.000 0.188 0.000 1.282 733 A HN 0.964 nan 8.150 nan 0.000 0.400 734 I N 2.731 123.387 120.570 0.144 0.000 2.301 734 I HA 0.224 4.394 4.170 -0.000 0.000 0.292 734 I C 1.504 177.659 176.117 0.063 0.000 1.046 734 I CA 0.075 61.469 61.300 0.156 0.000 1.282 734 I CB 1.609 39.694 38.000 0.141 0.000 1.409 734 I HN 0.908 nan 8.210 nan 0.000 0.484 735 T N 0.832 115.391 114.554 0.008 0.000 3.040 735 T HA 0.173 4.523 4.350 -0.000 0.000 0.252 735 T C 0.819 175.433 174.700 -0.142 0.000 1.064 735 T CA 0.281 62.345 62.100 -0.060 0.000 1.110 735 T CB 0.110 68.907 68.868 -0.120 0.000 0.921 735 T HN 0.576 nan 8.240 nan 0.000 0.480 736 E N 0.926 120.949 120.200 -0.296 0.000 3.843 736 E HA 0.319 4.669 4.350 -0.000 0.000 0.189 736 E C -1.083 175.316 176.600 -0.335 0.000 1.013 736 E CA -0.482 55.675 56.400 -0.404 0.000 1.395 736 E CB 0.725 29.751 29.700 -1.123 0.000 1.136 736 E HN 0.219 nan 8.360 nan 0.000 0.444 737 L N 3.028 124.193 121.223 -0.095 0.000 2.559 737 L HA 0.083 4.423 4.340 -0.000 0.000 0.274 737 L C -0.654 176.340 176.870 0.206 0.000 1.205 737 L CA 0.780 55.615 54.840 -0.010 0.000 0.907 737 L CB 0.051 42.171 42.059 0.102 0.000 1.153 737 L HN 0.172 nan 8.230 nan 0.000 0.490 738 D N 4.105 124.616 120.400 0.184 0.000 2.803 738 D HA 0.455 5.095 4.640 -0.000 0.000 0.218 738 D C -1.012 175.410 176.300 0.204 0.000 1.245 738 D CA -0.337 53.862 54.000 0.331 0.000 0.821 738 D CB 0.459 41.568 40.800 0.515 0.000 1.626 738 D HN 0.386 nan 8.370 nan 0.000 0.487 739 I N 0.938 121.594 120.570 0.142 0.000 2.447 739 I HA 0.238 4.408 4.170 -0.000 0.000 0.287 739 I C -0.026 176.182 176.117 0.152 0.000 1.023 739 I CA -0.962 60.393 61.300 0.092 0.000 1.083 739 I CB 2.092 39.970 38.000 -0.204 0.000 1.245 739 I HN 0.400 nan 8.210 nan 0.000 0.434 740 Q N 5.108 124.996 119.800 0.147 0.000 2.262 740 Q HA 0.110 4.450 4.340 -0.000 0.000 0.298 740 Q C 1.164 177.226 176.000 0.103 0.000 1.083 740 Q CA 1.454 57.325 55.803 0.114 0.000 0.962 740 Q CB 0.365 29.158 28.738 0.092 0.000 1.104 740 Q HN 1.021 nan 8.270 nan 0.000 0.376 741 G N 3.201 112.063 108.800 0.103 0.000 2.225 741 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.254 741 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.254 741 G C 0.512 175.482 174.900 0.117 0.000 0.988 741 G CA 0.191 45.343 45.100 0.087 0.000 0.625 741 G HN 1.894 nan 8.290 nan 0.000 0.527 742 A N -0.999 121.935 122.820 0.189 0.000 2.687 742 A HA 0.094 4.414 4.320 -0.000 0.000 0.299 742 A C 1.267 179.003 177.584 0.254 0.000 1.497 742 A CA 1.828 54.063 52.037 0.329 0.000 0.751 742 A CB -1.936 17.241 19.000 0.294 0.000 1.048 742 A HN 2.466 nan 8.150 nan 0.000 0.464 743 S N 0.064 115.857 115.700 0.155 0.000 2.544 743 S HA 0.316 4.786 4.470 -0.000 0.000 0.290 743 S C 1.558 176.239 174.600 0.136 0.000 1.276 743 S CA 0.426 58.679 58.200 0.087 0.000 1.075 743 S CB 0.496 63.715 63.200 0.030 0.000 0.849 743 S HN 1.058 nan 8.310 nan 0.000 0.494 744 S N 4.313 120.058 115.700 0.075 0.000 2.368 744 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 744 S C 2.189 176.832 174.600 0.072 0.000 1.030 744 S CA 1.622 59.870 58.200 0.080 0.000 0.999 744 S CB -0.444 62.767 63.200 0.020 0.000 0.844 744 S HN 0.806 nan 8.310 nan 0.000 0.459 745 S N 1.100 116.817 115.700 0.028 0.000 2.368 745 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 745 S C 2.114 176.686 174.600 -0.046 0.000 1.030 745 S CA 1.471 59.674 58.200 0.005 0.000 0.999 745 S CB -0.576 62.625 63.200 0.002 0.000 0.844 745 S HN 0.586 nan 8.310 nan 0.000 0.459 746 T N 0.657 115.164 114.554 -0.077 0.000 2.777 746 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 746 T C 1.492 176.021 174.700 -0.285 0.000 1.040 746 T CA 1.023 62.969 62.100 -0.257 0.000 1.141 746 T CB -0.386 68.339 68.868 -0.237 0.000 0.868 746 T HN 0.347 nan 8.240 nan 0.000 0.444 747 Y N 1.566 121.802 120.300 -0.107 0.000 2.224 747 Y HA 0.003 4.553 4.550 -0.000 0.000 0.289 747 Y C 2.649 178.517 175.900 -0.053 0.000 1.146 747 Y CA 0.670 58.745 58.100 -0.040 0.000 1.182 747 Y CB -0.676 37.793 38.460 0.016 0.000 0.983 747 Y HN 0.202 nan 8.280 nan 0.000 0.524 748 A N -0.419 122.459 122.820 0.097 0.000 1.898 748 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 748 A C 2.435 180.010 177.584 -0.014 0.000 1.181 748 A CA 1.608 53.670 52.037 0.042 0.000 0.620 748 A CB -1.232 17.784 19.000 0.026 0.000 0.819 748 A HN 0.400 nan 8.150 nan 0.000 0.442 749 A N -0.446 122.309 122.820 -0.108 0.000 1.877 749 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 749 A C 2.232 179.718 177.584 -0.164 0.000 1.186 749 A CA 1.901 53.844 52.037 -0.157 0.000 0.620 749 A CB -0.982 17.837 19.000 -0.301 0.000 0.822 749 A HN 0.397 nan 8.150 nan 0.000 0.443 750 V N -0.292 119.443 119.914 -0.298 0.000 2.343 750 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 750 V C 2.736 178.895 176.094 0.108 0.000 1.051 750 V CA 2.446 64.710 62.300 -0.059 0.000 1.036 750 V CB -1.297 30.488 31.823 -0.062 0.000 0.654 750 V HN 0.610 nan 8.190 nan 0.000 0.451 751 T N 0.358 114.976 114.554 0.106 0.000 2.746 751 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 751 T C 1.804 176.552 174.700 0.080 0.000 1.039 751 T CA 1.604 63.790 62.100 0.142 0.000 1.142 751 T CB -0.372 68.593 68.868 0.161 0.000 0.866 751 T HN 0.422 nan 8.240 nan 0.000 0.444 752 N N 1.207 119.937 118.700 0.050 0.000 2.331 752 N HA -0.066 4.674 4.740 -0.000 0.000 0.180 752 N C 1.463 176.986 175.510 0.021 0.000 1.019 752 N CA 0.770 53.837 53.050 0.029 0.000 0.881 752 N CB -0.287 38.213 38.487 0.022 0.000 0.972 752 N HN 0.385 nan 8.380 nan 0.000 0.435 753 D N 0.269 120.694 120.400 0.042 0.000 2.117 753 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 753 D C 1.992 178.247 176.300 -0.076 0.000 0.982 753 D CA 0.553 54.550 54.000 -0.005 0.000 0.828 753 D CB -0.446 40.389 40.800 0.058 0.000 0.967 753 D HN 0.192 nan 8.370 nan 0.000 0.464 754 c N 0.507 119.087 118.600 -0.034 0.000 2.440 754 c HA -0.016 4.554 4.570 -0.000 0.000 0.278 754 c C 2.763 176.823 174.090 -0.049 0.000 1.295 754 c CA 0.248 56.540 56.329 -0.061 0.000 1.738 754 c CB -1.238 41.259 42.510 -0.022 0.000 1.987 754 c HN 0.269 nan 8.230 nan 0.000 0.492 755 L N 0.997 122.209 121.223 -0.018 0.000 2.275 755 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 755 L C 2.766 179.620 176.870 -0.026 0.000 1.119 755 L CA 1.308 56.140 54.840 -0.015 0.000 0.790 755 L CB -0.474 41.586 42.059 0.002 0.000 0.919 755 L HN 0.453 nan 8.230 nan 0.000 0.443 756 A N -0.914 121.884 122.820 -0.038 0.000 2.132 756 A HA 0.143 4.463 4.320 -0.000 0.000 0.213 756 A C 0.908 178.456 177.584 -0.059 0.000 1.154 756 A CA 0.210 52.221 52.037 -0.045 0.000 0.753 756 A CB 0.081 19.052 19.000 -0.048 0.000 0.826 756 A HN 0.111 nan 8.150 nan 0.000 0.469 757 V N 1.634 121.504 119.914 -0.073 0.000 2.328 757 V HA 0.156 4.276 4.120 -0.000 0.000 0.278 757 V C 1.532 177.596 176.094 -0.049 0.000 1.021 757 V CA 0.274 62.529 62.300 -0.075 0.000 0.838 757 V CB 0.901 32.655 31.823 -0.116 0.000 0.999 757 V HN 0.600 nan 8.190 nan 0.000 0.447 758 S N 4.783 120.464 115.700 -0.032 0.000 2.402 758 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 758 S C 1.545 176.141 174.600 -0.007 0.000 1.030 758 S CA 1.014 59.204 58.200 -0.017 0.000 1.003 758 S CB -0.212 62.982 63.200 -0.010 0.000 0.813 758 S HN 0.683 nan 8.310 nan 0.000 0.477 759 R N 0.068 120.566 120.500 -0.003 0.000 2.310 759 R HA 0.201 4.541 4.340 -0.000 0.000 0.202 759 R C 0.293 176.603 176.300 0.016 0.000 0.933 759 R CA 0.059 56.170 56.100 0.018 0.000 1.054 759 R CB -0.767 29.555 30.300 0.036 0.000 0.985 759 R HN 0.492 nan 8.270 nan 0.000 0.489 760 c N 1.883 120.472 118.600 -0.020 0.000 2.540 760 c HA 0.195 4.765 4.570 -0.000 0.000 0.377 760 c C 2.026 176.082 174.090 -0.056 0.000 1.274 760 c CA -0.601 55.705 56.329 -0.039 0.000 1.718 760 c CB -1.011 41.450 42.510 -0.082 0.000 2.391 760 c HN 0.452 nan 8.230 nan 0.000 0.565 761 L N 5.499 126.700 121.223 -0.036 0.000 2.141 761 L HA 0.234 4.574 4.340 -0.000 0.000 0.209 761 L C 1.543 178.166 176.870 -0.411 0.000 1.094 761 L CA 1.161 55.969 54.840 -0.053 0.000 0.763 761 L CB -0.754 41.395 42.059 0.150 0.000 0.908 761 L HN 0.956 nan 8.230 nan 0.000 0.437 762 G N -0.671 107.763 108.800 -0.610 0.000 2.324 762 G HA2 0.342 4.302 3.960 -0.000 0.000 0.293 762 G HA3 0.342 4.302 3.960 -0.000 0.000 0.293 762 G C -1.753 172.737 174.900 -0.684 0.000 1.297 762 G CA -0.805 43.657 45.100 -1.063 0.000 0.853 762 G HN -0.105 nan 8.290 nan 0.000 0.535 763 I N 0.357 120.567 120.570 -0.600 0.000 2.545 763 I HA 0.550 4.720 4.170 -0.000 0.000 0.292 763 I C -0.444 175.411 176.117 -0.436 0.000 1.040 763 I CA -0.707 60.354 61.300 -0.399 0.000 1.068 763 I CB 2.672 40.422 38.000 -0.417 0.000 1.251 763 I HN 0.400 nan 8.210 nan 0.000 0.424 764 T N 5.095 119.547 114.554 -0.169 0.000 2.812 764 T HA 0.455 4.805 4.350 -0.000 0.000 0.282 764 T C -0.342 174.343 174.700 -0.026 0.000 0.990 764 T CA -0.527 61.520 62.100 -0.089 0.000 0.960 764 T CB 1.769 70.675 68.868 0.064 0.000 0.948 764 T HN 0.378 nan 8.240 nan 0.000 0.438 765 V N 1.048 120.976 119.914 0.024 0.000 2.539 765 V HA 0.486 4.606 4.120 -0.000 0.000 0.292 765 V C 0.221 176.450 176.094 0.226 0.000 1.045 765 V CA -1.136 61.298 62.300 0.224 0.000 0.945 765 V CB 1.346 33.415 31.823 0.410 0.000 0.993 765 V HN 1.009 nan 8.190 nan 0.000 0.464 766 W N 4.912 126.246 121.300 0.057 0.000 1.395 766 W HA 0.542 5.202 4.660 -0.000 0.000 0.451 766 W C 0.570 177.135 176.519 0.077 0.000 0.619 766 W CA 0.661 58.018 57.345 0.021 0.000 2.212 766 W CB -0.002 29.502 29.460 0.074 0.000 1.537 766 W HN 1.223 nan 8.180 nan 0.000 0.275 767 G N -0.046 108.659 108.800 -0.157 0.000 2.340 767 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.527 767 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.527 767 G C -0.548 174.348 174.900 -0.008 0.000 1.381 767 G CA -0.651 44.379 45.100 -0.117 0.000 1.001 767 G HN 0.025 nan 8.290 nan 0.000 0.626 768 V N 0.359 120.290 119.914 0.028 0.000 2.398 768 V HA 0.298 4.418 4.120 -0.000 0.000 0.236 768 V C 1.527 177.757 176.094 0.227 0.000 1.054 768 V CA 1.534 63.875 62.300 0.068 0.000 1.060 768 V CB -0.452 31.245 31.823 -0.210 0.000 0.707 768 V HN 0.688 nan 8.190 nan 0.000 0.480 769 R N 0.456 121.080 120.500 0.206 0.000 2.720 769 R HA 0.309 4.649 4.340 -0.000 0.000 0.272 769 R C 0.623 177.048 176.300 0.209 0.000 0.991 769 R CA -0.669 55.573 56.100 0.236 0.000 1.010 769 R CB 0.885 31.295 30.300 0.184 0.000 1.141 769 R HN 0.145 nan 8.270 nan 0.000 0.494 770 D N 0.662 121.179 120.400 0.194 0.000 2.158 770 D HA -0.163 4.476 4.640 -0.000 0.000 0.197 770 D C 1.619 177.999 176.300 0.134 0.000 0.995 770 D CA 2.126 56.225 54.000 0.165 0.000 0.846 770 D CB -0.160 40.719 40.800 0.132 0.000 0.941 770 D HN 0.688 nan 8.370 nan 0.000 0.456 771 T N -1.801 112.821 114.554 0.114 0.000 3.051 771 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 771 T C 1.073 175.819 174.700 0.078 0.000 1.127 771 T CA 0.713 62.863 62.100 0.083 0.000 1.107 771 T CB 0.077 68.984 68.868 0.064 0.000 0.898 771 T HN -0.007 nan 8.240 nan 0.000 0.517 772 D N 1.091 121.555 120.400 0.107 0.000 2.360 772 D HA 0.149 4.789 4.640 -0.000 0.000 0.210 772 D C 0.828 177.196 176.300 0.113 0.000 1.047 772 D CA 0.111 54.162 54.000 0.085 0.000 0.854 772 D CB 0.244 41.130 40.800 0.144 0.000 0.936 772 D HN 0.419 nan 8.370 nan 0.000 0.514 773 S N 1.139 116.941 115.700 0.170 0.000 2.576 773 S HA 0.028 4.498 4.470 -0.000 0.000 0.276 773 S C 1.257 176.048 174.600 0.320 0.000 1.339 773 S CA -0.770 57.597 58.200 0.279 0.000 1.039 773 S CB 0.579 63.953 63.200 0.289 0.000 0.902 773 S HN 0.341 nan 8.310 nan 0.000 0.516 774 W N 4.950 126.323 121.300 0.122 0.000 2.699 774 W HA 0.185 4.845 4.660 0.000 0.000 0.249 774 W C 0.300 176.865 176.519 0.077 0.000 1.280 774 W CA -0.061 57.349 57.345 0.109 0.000 1.345 774 W CB -0.747 28.820 29.460 0.178 0.000 1.128 774 W HN 0.629 nan 8.180 nan 0.000 0.642 775 R N 1.369 121.765 120.500 -0.172 0.000 2.718 775 R HA 0.066 4.406 4.340 -0.000 0.000 0.307 775 R C 1.658 177.922 176.300 -0.060 0.000 1.244 775 R CA 0.520 56.434 56.100 -0.310 0.000 1.348 775 R CB 0.394 30.332 30.300 -0.603 0.000 1.304 775 R HN 0.053 nan 8.270 nan 0.000 0.663 776 S N -0.967 114.742 115.700 0.015 0.000 2.402 776 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 776 S C 1.990 176.609 174.600 0.033 0.000 1.030 776 S CA 1.430 59.662 58.200 0.054 0.000 1.003 776 S CB -0.196 63.038 63.200 0.058 0.000 0.813 776 S HN 0.548 nan 8.310 nan 0.000 0.477 777 G N 1.386 110.185 108.800 -0.001 0.000 2.470 777 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 777 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 777 G C 0.905 175.811 174.900 0.009 0.000 1.121 777 G CA 0.881 45.981 45.100 0.000 0.000 0.766 777 G HN 0.532 nan 8.290 nan 0.000 0.553 778 D N 0.644 121.047 120.400 0.006 0.000 2.328 778 D HA 0.051 4.691 4.640 -0.000 0.000 0.221 778 D C 1.437 177.781 176.300 0.073 0.000 1.072 778 D CA 0.922 54.939 54.000 0.030 0.000 0.850 778 D CB -0.345 40.464 40.800 0.014 0.000 0.922 778 D HN 0.357 nan 8.370 nan 0.000 0.516 779 T N -0.256 114.345 114.554 0.079 0.000 3.318 779 T HA -0.161 4.189 4.350 -0.000 0.000 0.413 779 T C -1.666 173.125 174.700 0.152 0.000 0.771 779 T CA 0.136 62.299 62.100 0.104 0.000 2.056 779 T CB -0.970 67.942 68.868 0.074 0.000 1.684 779 T HN 0.172 nan 8.240 nan 0.000 0.610 780 P HA 0.326 nan 4.420 nan 0.000 0.255 780 P C 0.653 178.193 177.300 0.400 0.000 1.248 780 P CA -0.229 63.038 63.100 0.279 0.000 0.807 780 P CB 0.408 32.265 31.700 0.261 0.000 1.150 781 L N -0.953 120.471 121.223 0.335 0.000 2.578 781 L HA 0.376 4.716 4.340 -0.000 0.000 0.259 781 L C 1.950 178.940 176.870 0.199 0.000 1.082 781 L CA -1.075 53.975 54.840 0.350 0.000 0.843 781 L CB 0.507 42.765 42.059 0.333 0.000 1.535 781 L HN -0.285 nan 8.230 nan 0.000 0.510 782 L N -0.603 120.715 121.223 0.159 0.000 2.529 782 L HA 0.200 4.540 4.340 -0.000 0.000 0.223 782 L C -0.542 176.178 176.870 -0.249 0.000 1.113 782 L CA 0.360 55.148 54.840 -0.087 0.000 0.861 782 L CB 0.093 42.094 42.059 -0.097 0.000 1.012 782 L HN 0.231 nan 8.230 nan 0.000 0.461 783 F N 0.007 120.013 119.950 0.093 0.000 2.551 783 F HA 0.303 4.829 4.527 -0.000 0.000 0.316 783 F C 0.333 176.160 175.800 0.045 0.000 1.089 783 F CA -1.387 56.637 58.000 0.040 0.000 0.915 783 F CB 1.172 40.195 39.000 0.038 0.000 1.186 783 F HN -0.073 nan 8.300 nan 0.000 0.456 784 N N 0.164 118.966 118.700 0.170 0.000 2.476 784 N HA 0.395 5.135 4.740 -0.000 0.000 0.287 784 N C 1.175 176.758 175.510 0.122 0.000 1.262 784 N CA -0.250 52.867 53.050 0.113 0.000 0.980 784 N CB 0.001 38.513 38.487 0.041 0.000 1.163 784 N HN 0.622 nan 8.380 nan 0.000 0.592 785 G N -0.517 108.334 108.800 0.085 0.000 2.513 785 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.219 785 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.219 785 G C 0.636 175.573 174.900 0.063 0.000 1.160 785 G CA 1.552 46.696 45.100 0.073 0.000 0.767 785 G HN 0.890 nan 8.290 nan 0.000 0.571 786 D N -0.672 119.757 120.400 0.048 0.000 2.352 786 D HA 0.284 4.924 4.640 -0.000 0.000 0.232 786 D C 1.674 178.000 176.300 0.044 0.000 1.055 786 D CA 0.704 54.724 54.000 0.034 0.000 0.891 786 D CB -0.564 40.245 40.800 0.015 0.000 0.897 786 D HN 0.568 nan 8.370 nan 0.000 0.529 787 G N -0.041 108.807 108.800 0.079 0.000 2.159 787 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.256 787 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.256 787 G C 0.380 175.386 174.900 0.176 0.000 0.977 787 G CA 0.374 45.535 45.100 0.103 0.000 0.652 787 G HN 0.812 nan 8.290 nan 0.000 0.531 788 S N -0.260 115.506 115.700 0.110 0.000 2.580 788 S HA 0.614 5.084 4.470 -0.000 0.000 0.274 788 S C 0.270 174.864 174.600 -0.011 0.000 1.329 788 S CA -0.413 57.812 58.200 0.043 0.000 1.036 788 S CB 1.692 64.871 63.200 -0.034 0.000 0.919 788 S HN 0.443 nan 8.310 nan 0.000 0.515 789 K N 1.860 122.143 120.400 -0.195 0.000 2.412 789 K HA 0.180 4.500 4.320 -0.000 0.000 0.281 789 K C 0.159 176.576 176.600 -0.305 0.000 1.027 789 K CA -0.022 55.930 56.287 -0.558 0.000 0.989 789 K CB 0.494 32.559 32.500 -0.724 0.000 0.935 789 K HN 0.546 nan 8.250 nan 0.000 0.475 790 K N 0.818 121.044 120.400 -0.290 0.000 2.098 790 K HA 0.204 4.524 4.320 -0.000 0.000 0.244 790 K C 1.172 177.725 176.600 -0.078 0.000 1.014 790 K CA -0.307 55.893 56.287 -0.145 0.000 0.917 790 K CB 0.891 33.322 32.500 -0.115 0.000 1.072 790 K HN 0.629 nan 8.250 nan 0.000 0.477 791 A N 1.060 123.860 122.820 -0.034 0.000 1.940 791 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 791 A C 2.136 179.726 177.584 0.011 0.000 1.176 791 A CA 2.302 54.360 52.037 0.035 0.000 0.631 791 A CB -0.978 18.036 19.000 0.024 0.000 0.814 791 A HN 0.781 nan 8.150 nan 0.000 0.446 792 A N -1.633 121.160 122.820 -0.045 0.000 1.972 792 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 792 A C 2.062 179.515 177.584 -0.219 0.000 1.169 792 A CA 1.596 53.571 52.037 -0.105 0.000 0.635 792 A CB -0.740 18.172 19.000 -0.147 0.000 0.810 792 A HN 0.775 nan 8.150 nan 0.000 0.446 793 Y N 1.256 121.356 120.300 -0.333 0.000 2.145 793 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 793 Y C 2.572 178.316 175.900 -0.260 0.000 1.145 793 Y CA 2.437 60.301 58.100 -0.393 0.000 1.148 793 Y CB -0.716 37.415 38.460 -0.549 0.000 0.981 793 Y HN 0.295 nan 8.280 nan 0.000 0.507 794 T N 0.777 115.326 114.554 -0.008 0.000 2.788 794 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 794 T C 2.094 176.733 174.700 -0.102 0.000 1.044 794 T CA 1.325 63.414 62.100 -0.019 0.000 1.139 794 T CB -0.737 68.179 68.868 0.079 0.000 0.867 794 T HN 0.510 nan 8.240 nan 0.000 0.454 795 A N 0.916 123.693 122.820 -0.073 0.000 1.902 795 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 795 A C 2.575 180.099 177.584 -0.100 0.000 1.181 795 A CA 1.275 53.287 52.037 -0.041 0.000 0.623 795 A CB -0.922 18.086 19.000 0.014 0.000 0.818 795 A HN 0.360 nan 8.150 nan 0.000 0.443 796 V N -0.386 119.407 119.914 -0.202 0.000 2.307 796 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 796 V C 2.473 178.379 176.094 -0.313 0.000 1.045 796 V CA 1.836 63.998 62.300 -0.230 0.000 1.024 796 V CB -0.764 30.851 31.823 -0.347 0.000 0.651 796 V HN 0.571 nan 8.190 nan 0.000 0.449 797 L N 1.119 122.058 121.223 -0.475 0.000 2.012 797 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 797 L C 2.201 178.950 176.870 -0.201 0.000 1.073 797 L CA 2.536 57.133 54.840 -0.405 0.000 0.748 797 L CB -1.014 40.770 42.059 -0.459 0.000 0.891 797 L HN 0.477 nan 8.230 nan 0.000 0.431 798 N N -0.448 118.165 118.700 -0.145 0.000 2.104 798 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 798 N C 1.802 177.278 175.510 -0.057 0.000 1.024 798 N CA 1.743 54.749 53.050 -0.075 0.000 0.853 798 N CB -0.274 38.187 38.487 -0.043 0.000 1.008 798 N HN 0.474 nan 8.380 nan 0.000 0.424 799 A N 0.556 123.342 122.820 -0.057 0.000 1.877 799 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 799 A C 2.327 179.896 177.584 -0.026 0.000 1.186 799 A CA 1.229 53.249 52.037 -0.027 0.000 0.620 799 A CB -0.936 18.059 19.000 -0.008 0.000 0.822 799 A HN 0.383 nan 8.150 nan 0.000 0.443 800 L N -0.196 120.998 121.223 -0.048 0.000 2.079 800 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 800 L C 1.592 178.443 176.870 -0.031 0.000 1.081 800 L CA 1.086 55.907 54.840 -0.033 0.000 0.752 800 L CB -0.559 41.458 42.059 -0.070 0.000 0.896 800 L HN 0.364 nan 8.230 nan 0.000 0.433 801 N N -0.038 118.634 118.700 -0.046 0.000 2.515 801 N HA -0.001 4.739 4.740 -0.000 0.000 0.191 801 N C 1.344 176.842 175.510 -0.021 0.000 1.182 801 N CA 1.025 54.056 53.050 -0.033 0.000 0.879 801 N CB 0.797 39.260 38.487 -0.040 0.000 0.984 801 N HN 0.486 nan 8.380 nan 0.000 0.453 802 G N -0.665 108.125 108.800 -0.017 0.000 2.218 802 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 802 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 802 G C 0.521 175.416 174.900 -0.009 0.000 0.994 802 G CA 0.178 45.271 45.100 -0.011 0.000 0.637 802 G HN 0.731 nan 8.290 nan 0.000 0.505 814 Q N -0.987 118.867 119.800 0.089 0.000 2.256 814 Q HA 0.629 4.969 4.340 -0.000 0.000 0.232 814 Q C -0.414 175.653 176.000 0.112 0.000 0.965 814 Q CA -0.302 55.581 55.803 0.133 0.000 0.908 814 Q CB 2.079 30.872 28.738 0.092 0.000 1.209 814 Q HN 0.395 nan 8.270 nan 0.000 0.489 815 I N 1.756 122.390 120.570 0.107 0.000 2.595 815 I HA 0.225 4.395 4.170 -0.000 0.000 0.275 815 I C -0.494 175.718 176.117 0.158 0.000 1.092 815 I CA -0.403 60.912 61.300 0.025 0.000 1.145 815 I CB 0.998 38.842 38.000 -0.259 0.000 1.276 815 I HN 0.362 nan 8.210 nan 0.000 0.497 816 K N 4.095 124.600 120.400 0.174 0.000 2.276 816 K HA 0.467 4.787 4.320 -0.000 0.000 0.283 816 K C 0.335 177.061 176.600 0.210 0.000 1.044 816 K CA -0.288 56.107 56.287 0.180 0.000 0.944 816 K CB 1.196 33.749 32.500 0.089 0.000 1.012 816 K HN 0.643 nan 8.250 nan 0.000 0.472 817 G N 2.613 111.484 108.800 0.118 0.000 2.353 817 G HA2 0.268 4.228 3.960 -0.000 0.000 0.284 817 G HA3 0.268 4.228 3.960 -0.000 0.000 0.284 817 G C -0.433 174.291 174.900 -0.295 0.000 1.172 817 G CA -0.679 44.214 45.100 -0.344 0.000 0.854 817 G HN 0.478 nan 8.290 nan 0.000 0.485 818 V N 2.879 122.582 119.914 -0.352 0.000 2.585 818 V HA 0.456 4.576 4.120 -0.000 0.000 0.296 818 V C 1.612 177.570 176.094 -0.227 0.000 1.035 818 V CA 1.626 63.791 62.300 -0.226 0.000 1.084 818 V CB 0.346 32.048 31.823 -0.200 0.000 0.953 818 V HN 1.568 nan 8.190 nan 0.000 0.483 819 G N 4.276 112.986 108.800 -0.149 0.000 3.586 819 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.212 819 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.212 819 G C 1.308 176.141 174.900 -0.112 0.000 1.411 819 G CA 1.029 46.051 45.100 -0.129 0.000 0.898 819 G HN 1.208 nan 8.290 nan 0.000 0.575 820 S N 0.963 116.581 115.700 -0.137 0.000 2.387 820 S HA 0.328 4.798 4.470 -0.000 0.000 0.226 820 S C 2.682 177.241 174.600 -0.068 0.000 1.026 820 S CA 2.018 60.160 58.200 -0.096 0.000 0.972 820 S CB -0.344 62.796 63.200 -0.100 0.000 0.814 820 S HN 2.669 nan 8.310 nan 0.000 0.477 821 G N 1.376 110.133 108.800 -0.071 0.000 2.184 821 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 821 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 821 G C 0.167 175.063 174.900 -0.006 0.000 0.975 821 G CA 0.373 45.450 45.100 -0.038 0.000 0.642 821 G HN 0.657 nan 8.290 nan 0.000 0.536 822 R N -0.884 119.620 120.500 0.007 0.000 2.573 822 R HA 0.629 4.969 4.340 -0.000 0.000 0.272 822 R C 0.106 176.485 176.300 0.132 0.000 1.009 822 R CA -0.352 55.782 56.100 0.057 0.000 1.059 822 R CB 1.137 31.471 30.300 0.056 0.000 1.112 822 R HN 0.201 nan 8.270 nan 0.000 0.517 823 c N 1.653 120.354 118.600 0.168 0.000 2.364 823 c HA 0.277 4.847 4.570 -0.000 0.000 0.356 823 c C 0.091 174.323 174.090 0.237 0.000 1.201 823 c CA -0.732 55.720 56.329 0.205 0.000 2.227 823 c CB 0.576 43.192 42.510 0.178 0.000 2.387 823 c HN 0.601 nan 8.230 nan 0.000 0.546 824 L N 3.796 125.129 121.223 0.183 0.000 2.562 824 L HA 0.227 4.567 4.340 -0.000 0.000 0.271 824 L C 0.075 177.143 176.870 0.329 0.000 1.167 824 L CA 1.219 56.114 54.840 0.092 0.000 0.917 824 L CB -0.343 41.485 42.059 -0.385 0.000 1.187 824 L HN 0.677 nan 8.230 nan 0.000 0.482 825 D N 3.825 124.391 120.400 0.277 0.000 2.738 825 D HA 0.266 4.906 4.640 -0.000 0.000 0.237 825 D C -1.352 175.069 176.300 0.203 0.000 1.123 825 D CA -0.471 53.682 54.000 0.255 0.000 0.856 825 D CB 2.397 43.345 40.800 0.247 0.000 1.552 825 D HN 0.235 nan 8.370 nan 0.000 0.480 826 V N 4.357 124.356 119.914 0.141 0.000 2.368 826 V HA 0.256 4.376 4.120 -0.000 0.000 0.266 826 V C -2.060 174.079 176.094 0.076 0.000 1.045 826 V CA -1.550 60.828 62.300 0.129 0.000 0.899 826 V CB 0.928 32.823 31.823 0.120 0.000 1.006 826 V HN 0.479 nan 8.190 nan 0.000 0.470 827 P HA -0.076 nan 4.420 nan 0.000 0.257 827 P C 0.582 177.875 177.300 -0.012 0.000 1.153 827 P CA 0.896 63.990 63.100 -0.009 0.000 0.762 827 P CB -0.189 31.522 31.700 0.018 0.000 0.743 828 N N 2.713 121.374 118.700 -0.065 0.000 2.708 828 N HA -0.293 4.447 4.740 -0.000 0.000 0.251 828 N C 0.358 175.867 175.510 -0.001 0.000 1.123 828 N CA 0.228 53.253 53.050 -0.041 0.000 0.739 828 N CB -1.370 37.100 38.487 -0.027 0.000 1.113 828 N HN 0.657 nan 8.380 nan 0.000 0.561 829 A N -0.919 121.923 122.820 0.038 0.000 2.832 829 A HA -0.263 4.057 4.320 -0.000 0.000 0.280 829 A C 0.754 178.365 177.584 0.045 0.000 1.464 829 A CA 1.413 53.514 52.037 0.106 0.000 0.804 829 A CB -1.760 17.285 19.000 0.075 0.000 1.020 829 A HN 0.750 nan 8.150 nan 0.000 0.563 830 S N -0.549 115.177 115.700 0.044 0.000 2.585 830 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 830 S C 1.395 175.955 174.600 -0.066 0.000 1.339 830 S CA 0.806 58.994 58.200 -0.020 0.000 1.028 830 S CB 0.618 63.829 63.200 0.018 0.000 0.906 830 S HN 1.567 nan 8.310 nan 0.000 0.528 831 T N 0.370 114.814 114.554 -0.182 0.000 3.132 831 T HA 0.254 4.604 4.350 -0.000 0.000 0.274 831 T C 0.176 174.836 174.700 -0.066 0.000 1.011 831 T CA -0.419 61.533 62.100 -0.246 0.000 0.899 831 T CB -0.274 68.323 68.868 -0.452 0.000 1.089 831 T HN 0.483 nan 8.240 nan 0.000 0.543 832 T N 3.667 118.214 114.554 -0.013 0.000 2.814 832 T HA 0.220 4.570 4.350 -0.000 0.000 0.297 832 T C -0.173 174.572 174.700 0.074 0.000 0.956 832 T CA -0.387 61.724 62.100 0.018 0.000 1.123 832 T CB 0.528 69.408 68.868 0.021 0.000 0.902 832 T HN 0.293 nan 8.240 nan 0.000 0.528 833 D N 2.113 122.559 120.400 0.076 0.000 2.488 833 D HA 0.311 4.951 4.640 -0.000 0.000 0.238 833 D C 1.417 177.835 176.300 0.198 0.000 1.138 833 D CA 1.157 55.254 54.000 0.161 0.000 0.873 833 D CB 0.752 41.631 40.800 0.131 0.000 1.183 833 D HN 0.896 nan 8.370 nan 0.000 0.458 834 G N 1.859 110.805 108.800 0.244 0.000 2.176 834 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 834 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 834 G C 0.485 175.467 174.900 0.136 0.000 0.986 834 G CA 0.119 45.325 45.100 0.176 0.000 0.643 834 G HN 0.554 nan 8.290 nan 0.000 0.522 835 T N 1.593 116.232 114.554 0.142 0.000 2.752 835 T HA 0.424 4.774 4.350 -0.000 0.000 0.295 835 T C 0.434 175.211 174.700 0.129 0.000 0.923 835 T CA 0.333 62.505 62.100 0.120 0.000 1.112 835 T CB 1.415 70.355 68.868 0.119 0.000 0.884 835 T HN 0.544 nan 8.240 nan 0.000 0.525 836 Q N 3.398 123.260 119.800 0.104 0.000 2.332 836 Q HA 0.362 4.702 4.340 -0.000 0.000 0.263 836 Q C 0.176 176.235 176.000 0.099 0.000 0.979 836 Q CA -0.751 55.111 55.803 0.098 0.000 0.885 836 Q CB 0.642 29.428 28.738 0.080 0.000 1.218 836 Q HN 0.635 nan 8.270 nan 0.000 0.405 837 V N 1.484 121.455 119.914 0.095 0.000 3.083 837 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 837 V C -0.416 175.727 176.094 0.082 0.000 1.077 837 V CA -0.314 62.045 62.300 0.100 0.000 1.073 837 V CB 1.179 33.047 31.823 0.074 0.000 1.081 837 V HN 1.028 nan 8.190 nan 0.000 0.474 838 Q N 1.778 121.642 119.800 0.106 0.000 2.831 838 Q HA 0.719 5.059 4.340 -0.000 0.000 0.322 838 Q C -1.516 174.586 176.000 0.170 0.000 0.923 838 Q CA -1.149 54.728 55.803 0.123 0.000 0.767 838 Q CB 2.147 30.958 28.738 0.122 0.000 1.469 838 Q HN 0.656 nan 8.270 nan 0.000 0.496 839 L N 0.878 122.217 121.223 0.194 0.000 2.322 839 L HA 0.696 5.036 4.340 -0.000 0.000 0.279 839 L C -1.277 175.773 176.870 0.300 0.000 1.036 839 L CA -0.851 54.124 54.840 0.224 0.000 0.807 839 L CB 1.080 43.239 42.059 0.167 0.000 1.226 839 L HN 0.628 nan 8.230 nan 0.000 0.433 840 Y N 0.672 121.044 120.300 0.120 0.000 2.624 840 Y HA 0.193 4.743 4.550 0.000 0.000 0.334 840 Y C -0.813 175.166 175.900 0.131 0.000 1.155 840 Y CA -1.229 56.941 58.100 0.117 0.000 1.046 840 Y CB 1.589 40.134 38.460 0.142 0.000 1.316 840 Y HN 0.555 nan 8.280 nan 0.000 0.457 841 D N 2.680 122.817 120.400 -0.438 0.000 2.581 841 D HA -0.018 4.622 4.640 -0.000 0.000 0.238 841 D C -0.215 176.184 176.300 0.166 0.000 1.145 841 D CA 0.846 54.729 54.000 -0.195 0.000 0.866 841 D CB 0.331 40.903 40.800 -0.380 0.000 1.151 841 D HN 0.467 nan 8.370 nan 0.000 0.500 842 c N 5.206 123.895 118.600 0.148 0.000 2.648 842 c HA 0.182 4.752 4.570 -0.000 0.000 0.415 842 c C 0.673 174.915 174.090 0.252 0.000 1.366 842 c CA -0.256 56.187 56.329 0.190 0.000 1.756 842 c CB -1.166 41.408 42.510 0.107 0.000 2.549 842 c HN 0.662 nan 8.230 nan 0.000 0.597 843 H N -0.174 118.946 119.070 0.082 0.000 3.037 843 H HA 0.297 4.853 4.556 -0.000 0.000 0.355 843 H C -0.758 174.605 175.328 0.058 0.000 1.263 843 H CA -0.685 55.403 56.048 0.066 0.000 1.129 843 H CB 0.973 30.783 29.762 0.081 0.000 1.861 843 H HN 0.388 nan 8.280 nan 0.000 0.546 844 S N 0.767 116.491 115.700 0.041 0.000 3.232 844 S HA 0.455 4.925 4.470 -0.000 0.000 0.298 844 S C -0.293 174.257 174.600 -0.084 0.000 1.159 844 S CA 0.112 58.296 58.200 -0.028 0.000 1.240 844 S CB -2.052 61.164 63.200 0.028 0.000 1.584 844 S HN 0.818 nan 8.310 nan 0.000 0.558 845 A N 3.344 126.019 122.820 -0.241 0.000 2.486 845 A HA 0.588 4.908 4.320 -0.000 0.000 0.300 845 A C 1.065 178.541 177.584 -0.180 0.000 1.048 845 A CA -0.272 51.640 52.037 -0.209 0.000 0.696 845 A CB 0.838 19.610 19.000 -0.380 0.000 1.278 845 A HN 0.707 nan 8.150 nan 0.000 0.405 846 T N -0.369 114.126 114.554 -0.099 0.000 2.833 846 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 846 T C 1.045 175.571 174.700 -0.289 0.000 1.054 846 T CA 1.593 63.618 62.100 -0.125 0.000 1.135 846 T CB -0.560 68.318 68.868 0.017 0.000 0.869 846 T HN 0.783 nan 8.240 nan 0.000 0.466 847 N N 1.098 119.688 118.700 -0.183 0.000 2.551 847 N HA -0.037 4.703 4.740 -0.000 0.000 0.199 847 N C 1.044 176.334 175.510 -0.368 0.000 1.277 847 N CA 0.238 53.099 53.050 -0.316 0.000 0.870 847 N CB -0.113 38.384 38.487 0.017 0.000 1.028 847 N HN 0.605 nan 8.380 nan 0.000 0.452 848 Q N -0.959 118.614 119.800 -0.379 0.000 2.081 848 Q HA 0.171 4.511 4.340 -0.000 0.000 0.220 848 Q C -0.588 175.267 176.000 -0.243 0.000 0.775 848 Q CA -0.214 55.468 55.803 -0.202 0.000 0.983 848 Q CB 0.823 29.499 28.738 -0.102 0.000 1.188 848 Q HN 0.221 nan 8.270 nan 0.000 0.458 849 Q N 0.257 119.793 119.800 -0.438 0.000 2.421 849 Q HA 0.151 4.491 4.340 -0.000 0.000 0.242 849 Q C -1.327 174.405 176.000 -0.447 0.000 1.024 849 Q CA 0.256 55.881 55.803 -0.295 0.000 0.891 849 Q CB 0.286 28.894 28.738 -0.218 0.000 1.222 849 Q HN 0.114 nan 8.270 nan 0.000 0.483 850 W N 1.260 122.490 121.300 -0.118 0.000 2.551 850 W HA 0.382 5.042 4.660 -0.000 0.000 0.330 850 W C 0.165 176.654 176.519 -0.050 0.000 1.063 850 W CA -0.524 56.754 57.345 -0.111 0.000 1.222 850 W CB 1.464 30.837 29.460 -0.145 0.000 1.349 850 W HN 0.160 nan 8.180 nan 0.000 0.536 851 T N 2.870 117.543 114.554 0.198 0.000 2.786 851 T HA 0.158 4.508 4.350 -0.000 0.000 0.283 851 T C -1.500 173.334 174.700 0.223 0.000 0.992 851 T CA -0.484 61.711 62.100 0.158 0.000 0.954 851 T CB 0.318 69.234 68.868 0.079 0.000 0.934 851 T HN 0.154 nan 8.240 nan 0.000 0.440 852 Y N 4.471 124.811 120.300 0.066 0.000 2.404 852 Y HA 0.402 4.952 4.550 -0.000 0.000 0.344 852 Y C 0.968 176.901 175.900 0.055 0.000 0.995 852 Y CA -0.967 57.168 58.100 0.058 0.000 1.201 852 Y CB 0.151 38.632 38.460 0.035 0.000 1.151 852 Y HN 0.717 nan 8.280 nan 0.000 0.517 853 T N 0.830 115.240 114.554 -0.241 0.000 2.881 853 T HA 0.173 4.523 4.350 -0.000 0.000 0.278 853 T C 0.833 175.312 174.700 -0.369 0.000 0.982 853 T CA -0.665 61.305 62.100 -0.217 0.000 0.989 853 T CB 0.973 69.779 68.868 -0.103 0.000 1.058 853 T HN 0.569 nan 8.240 nan 0.000 0.529 854 D N 0.425 120.711 120.400 -0.190 0.000 2.264 854 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 854 D C 2.014 178.227 176.300 -0.146 0.000 0.966 854 D CA 1.108 55.017 54.000 -0.150 0.000 0.864 854 D CB -0.279 40.487 40.800 -0.057 0.000 0.933 854 D HN 0.738 nan 8.370 nan 0.000 0.499 855 A N -0.435 122.297 122.820 -0.145 0.000 2.169 855 A HA 0.367 4.687 4.320 -0.000 0.000 0.212 855 A C 1.751 179.248 177.584 -0.144 0.000 1.153 855 A CA 1.168 53.141 52.037 -0.107 0.000 0.756 855 A CB 0.120 19.076 19.000 -0.074 0.000 0.813 855 A HN 0.239 nan 8.150 nan 0.000 0.471 856 G N -0.603 108.029 108.800 -0.280 0.000 2.144 856 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 856 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 856 G C -0.190 174.729 174.900 0.031 0.000 0.988 856 G CA 0.174 45.129 45.100 -0.242 0.000 0.659 856 G HN 0.604 nan 8.290 nan 0.000 0.522 857 E N -0.532 119.668 120.200 0.000 0.000 2.318 857 E HA 0.662 5.012 4.350 -0.000 0.000 0.265 857 E C 0.137 176.919 176.600 0.304 0.000 1.069 857 E CA -0.508 56.017 56.400 0.210 0.000 0.893 857 E CB 1.281 31.052 29.700 0.118 0.000 1.076 857 E HN 0.212 nan 8.360 nan 0.000 0.414 858 L N 2.626 124.058 121.223 0.348 0.000 2.337 858 L HA 0.371 4.711 4.340 -0.000 0.000 0.269 858 L C -0.135 176.962 176.870 0.379 0.000 1.018 858 L CA -0.350 54.658 54.840 0.280 0.000 0.876 858 L CB 0.651 42.656 42.059 -0.090 0.000 1.236 858 L HN 0.302 nan 8.230 nan 0.000 0.436 859 R N 1.797 122.472 120.500 0.293 0.000 2.500 859 R HA 0.712 5.052 4.340 -0.000 0.000 0.277 859 R C -0.899 175.393 176.300 -0.014 0.000 1.026 859 R CA -0.592 55.611 56.100 0.171 0.000 1.058 859 R CB 2.637 32.992 30.300 0.092 0.000 1.078 859 R HN 0.265 nan 8.270 nan 0.000 0.509 860 V N 3.208 122.976 119.914 -0.244 0.000 2.932 860 V HA 0.219 4.339 4.120 -0.000 0.000 0.307 860 V C -1.111 174.733 176.094 -0.416 0.000 1.147 860 V CA -0.387 61.489 62.300 -0.707 0.000 0.951 860 V CB 1.364 32.261 31.823 -1.542 0.000 1.031 860 V HN 0.923 nan 8.190 nan 0.000 0.426 861 Y N 3.957 124.119 120.300 -0.231 0.000 4.916 861 Y HA -0.229 4.321 4.550 0.000 0.000 0.247 861 Y C 1.691 177.539 175.900 -0.087 0.000 0.962 861 Y CA 1.734 59.748 58.100 -0.144 0.000 1.933 861 Y CB -1.918 36.467 38.460 -0.126 0.000 1.451 861 Y HN 1.805 nan 8.280 nan 0.000 0.539 862 G N -0.787 108.033 108.800 0.034 0.000 2.420 862 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.221 862 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.221 862 G C 0.494 175.421 174.900 0.046 0.000 1.117 862 G CA 0.575 45.694 45.100 0.032 0.000 0.657 862 G HN 0.468 nan 8.290 nan 0.000 0.512 863 D N 0.386 120.827 120.400 0.068 0.000 2.582 863 D HA 0.289 4.929 4.640 -0.000 0.000 0.246 863 D C 0.193 176.547 176.300 0.090 0.000 1.334 863 D CA -0.009 54.031 54.000 0.067 0.000 0.805 863 D CB 0.178 41.006 40.800 0.046 0.000 1.087 863 D HN 0.218 nan 8.370 nan 0.000 0.499 864 K N 0.053 120.522 120.400 0.116 0.000 2.164 864 K HA 0.517 4.837 4.320 -0.000 0.000 0.258 864 K C -0.707 175.995 176.600 0.171 0.000 0.951 864 K CA -0.539 55.839 56.287 0.152 0.000 0.844 864 K CB 1.831 34.465 32.500 0.223 0.000 1.099 864 K HN -0.026 nan 8.250 nan 0.000 0.435 865 c N 2.090 120.836 118.600 0.243 0.000 2.507 865 c HA 0.360 4.930 4.570 -0.000 0.000 0.319 865 c C -0.183 174.130 174.090 0.372 0.000 1.208 865 c CA -0.983 55.526 56.329 0.300 0.000 1.619 865 c CB 1.060 43.736 42.510 0.277 0.000 2.230 865 c HN 0.746 nan 8.230 nan 0.000 0.492 866 L N 4.193 125.649 121.223 0.389 0.000 2.513 866 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 866 L C 0.055 177.208 176.870 0.473 0.000 1.187 866 L CA 1.416 56.412 54.840 0.260 0.000 0.895 866 L CB -0.091 41.811 42.059 -0.261 0.000 1.147 866 L HN 0.674 nan 8.230 nan 0.000 0.483 867 D N 4.124 124.766 120.400 0.405 0.000 2.738 867 D HA 0.621 5.261 4.640 -0.000 0.000 0.237 867 D C -1.614 174.881 176.300 0.324 0.000 1.123 867 D CA -0.461 53.774 54.000 0.391 0.000 0.856 867 D CB 2.251 43.257 40.800 0.342 0.000 1.552 867 D HN 0.673 nan 8.370 nan 0.000 0.480 868 A N 1.866 124.831 122.820 0.243 0.000 2.304 868 A HA 0.627 4.947 4.320 -0.000 0.000 0.314 868 A C 0.376 178.003 177.584 0.071 0.000 1.187 868 A CA -0.228 51.907 52.037 0.164 0.000 0.810 868 A CB 1.429 20.511 19.000 0.135 0.000 1.183 868 A HN 0.534 nan 8.150 nan 0.000 0.487 869 A N 2.078 124.931 122.820 0.054 0.000 2.238 869 A HA 0.531 4.851 4.320 -0.000 0.000 0.208 869 A C 1.025 178.618 177.584 0.015 0.000 1.177 869 A CA 1.071 53.115 52.037 0.012 0.000 0.804 869 A CB -0.253 18.746 19.000 -0.001 0.000 0.823 869 A HN 1.610 nan 8.150 nan 0.000 0.482 870 G N -2.526 106.290 108.800 0.026 0.000 2.788 870 G HA2 0.423 4.383 3.960 -0.000 0.000 0.293 870 G HA3 0.423 4.383 3.960 -0.000 0.000 0.293 870 G C 0.253 175.159 174.900 0.011 0.000 1.392 870 G CA 0.591 45.702 45.100 0.019 0.000 0.810 870 G HN 0.399 nan 8.290 nan 0.000 0.508 871 T N -3.054 111.502 114.554 0.004 0.000 3.004 871 T HA 0.438 4.788 4.350 -0.000 0.000 0.266 871 T C 1.039 175.736 174.700 -0.005 0.000 0.986 871 T CA 0.847 62.942 62.100 -0.009 0.000 0.902 871 T CB 0.555 69.410 68.868 -0.021 0.000 1.118 871 T HN 0.972 nan 8.240 nan 0.000 0.522 872 G N 1.260 110.063 108.800 0.005 0.000 2.522 872 G HA2 0.502 4.462 3.960 -0.000 0.000 0.304 872 G HA3 0.502 4.462 3.960 -0.000 0.000 0.304 872 G C -0.436 174.474 174.900 0.016 0.000 1.210 872 G CA -0.829 44.270 45.100 -0.002 0.000 0.960 872 G HN 0.226 nan 8.290 nan 0.000 0.497 873 N N -0.404 118.288 118.700 -0.015 0.000 2.441 873 N HA 0.256 4.996 4.740 -0.000 0.000 0.251 873 N C 1.337 176.933 175.510 0.144 0.000 1.242 873 N CA 1.429 54.498 53.050 0.032 0.000 0.898 873 N CB 1.160 39.560 38.487 -0.144 0.000 1.100 873 N HN 1.104 nan 8.380 nan 0.000 0.443 874 G N 0.561 109.507 108.800 0.243 0.000 2.225 874 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 874 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 874 G C 0.223 175.195 174.900 0.121 0.000 0.988 874 G CA 0.426 45.630 45.100 0.174 0.000 0.625 874 G HN 0.624 nan 8.290 nan 0.000 0.527 875 T N 2.608 117.230 114.554 0.113 0.000 2.871 875 T HA 0.386 4.735 4.350 -0.000 0.000 0.296 875 T C 0.892 175.655 174.700 0.104 0.000 0.998 875 T CA 0.894 63.051 62.100 0.094 0.000 1.162 875 T CB 0.564 69.484 68.868 0.086 0.000 0.947 875 T HN 0.790 nan 8.240 nan 0.000 0.536 876 K N 2.027 122.481 120.400 0.089 0.000 2.350 876 K HA 0.394 4.714 4.320 -0.000 0.000 0.279 876 K C -0.778 175.885 176.600 0.106 0.000 1.027 876 K CA -0.764 55.577 56.287 0.089 0.000 0.969 876 K CB 0.578 33.124 32.500 0.077 0.000 0.954 876 K HN 0.207 nan 8.250 nan 0.000 0.474 877 V N 4.419 124.391 119.914 0.097 0.000 2.383 877 V HA 0.137 4.257 4.120 -0.000 0.000 0.275 877 V C 0.171 176.319 176.094 0.089 0.000 1.036 877 V CA -0.314 62.046 62.300 0.100 0.000 0.889 877 V CB 0.564 32.394 31.823 0.012 0.000 0.985 877 V HN 1.014 nan 8.190 nan 0.000 0.459 878 Q N 5.805 125.688 119.800 0.137 0.000 3.093 878 Q HA 0.731 5.071 4.340 -0.000 0.000 0.330 878 Q C -0.981 175.156 176.000 0.228 0.000 0.947 878 Q CA -0.979 54.922 55.803 0.164 0.000 0.801 878 Q CB 2.627 31.462 28.738 0.161 0.000 1.470 878 Q HN 0.658 nan 8.270 nan 0.000 0.498 879 I N -1.975 118.750 120.570 0.259 0.000 2.562 879 I HA 0.778 4.948 4.170 -0.000 0.000 0.301 879 I C -1.494 174.840 176.117 0.363 0.000 1.003 879 I CA -1.006 60.479 61.300 0.308 0.000 1.127 879 I CB 1.872 40.041 38.000 0.283 0.000 1.304 879 I HN 0.730 nan 8.210 nan 0.000 0.446 880 Y N 2.459 122.883 120.300 0.207 0.000 2.624 880 Y HA 0.433 4.983 4.550 -0.000 0.000 0.334 880 Y C -0.514 175.513 175.900 0.211 0.000 1.155 880 Y CA -0.753 57.462 58.100 0.193 0.000 1.046 880 Y CB 2.111 40.701 38.460 0.216 0.000 1.316 880 Y HN 0.776 nan 8.280 nan 0.000 0.457 881 S N 2.008 117.489 115.700 -0.365 0.000 2.558 881 S HA 0.053 4.523 4.470 -0.000 0.000 0.293 881 S C -0.442 174.266 174.600 0.180 0.000 1.292 881 S CA -0.120 57.992 58.200 -0.147 0.000 1.063 881 S CB -0.323 62.684 63.200 -0.321 0.000 0.831 881 S HN 0.625 nan 8.310 nan 0.000 0.499 882 c N 5.395 124.111 118.600 0.192 0.000 2.632 882 c HA 0.235 4.805 4.570 -0.000 0.000 0.415 882 c C 1.412 175.694 174.090 0.319 0.000 1.332 882 c CA -0.454 56.017 56.329 0.237 0.000 1.874 882 c CB -1.024 41.571 42.510 0.143 0.000 2.596 882 c HN 1.085 nan 8.230 nan 0.000 0.590 883 W N 1.197 122.562 121.300 0.109 0.000 1.526 883 W HA 0.360 5.020 4.660 0.000 0.000 0.218 883 W C 0.672 177.235 176.519 0.073 0.000 0.797 883 W CA 0.166 57.564 57.345 0.088 0.000 0.997 883 W CB -0.821 28.707 29.460 0.114 0.000 0.926 883 W HN 0.932 nan 8.180 nan 0.000 0.483 884 G N 1.521 110.061 108.800 -0.433 0.000 2.157 884 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.239 884 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.239 884 G C 0.609 175.017 174.900 -0.820 0.000 0.982 884 G CA -0.077 44.742 45.100 -0.469 0.000 0.650 884 G HN 0.685 nan 8.290 nan 0.000 0.527 885 G N -0.351 107.465 108.800 -1.641 0.000 2.544 885 G HA2 0.415 4.375 3.960 -0.000 0.000 0.242 885 G HA3 0.415 4.375 3.960 -0.000 0.000 0.242 885 G C 0.646 175.189 174.900 -0.596 0.000 1.247 885 G CA 0.408 44.698 45.100 -1.350 0.000 0.840 885 G HN 0.085 nan 8.290 nan 0.000 0.578 886 D N 0.320 120.497 120.400 -0.372 0.000 2.310 886 D HA -0.131 4.509 4.640 -0.000 0.000 0.212 886 D C 2.028 178.122 176.300 -0.343 0.000 0.965 886 D CA 0.810 54.634 54.000 -0.293 0.000 0.879 886 D CB 0.159 40.842 40.800 -0.195 0.000 0.921 886 D HN 0.605 nan 8.370 nan 0.000 0.510 887 N N 0.280 118.809 118.700 -0.285 0.000 2.461 887 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 887 N C 0.747 176.076 175.510 -0.303 0.000 1.134 887 N CA 0.260 53.145 53.050 -0.274 0.000 0.878 887 N CB 0.039 38.472 38.487 -0.090 0.000 0.972 887 N HN 0.270 nan 8.380 nan 0.000 0.456 888 Q N -0.211 119.398 119.800 -0.319 0.000 2.139 888 Q HA 0.256 4.596 4.340 -0.000 0.000 0.219 888 Q C -0.526 175.341 176.000 -0.222 0.000 0.805 888 Q CA -0.064 55.668 55.803 -0.118 0.000 1.024 888 Q CB 0.953 29.650 28.738 -0.068 0.000 1.163 888 Q HN 0.270 nan 8.270 nan 0.000 0.485 889 K N 0.376 120.424 120.400 -0.585 0.000 2.207 889 K HA 0.500 4.820 4.320 -0.000 0.000 0.255 889 K C -1.385 174.745 176.600 -0.784 0.000 0.941 889 K CA -0.396 55.630 56.287 -0.435 0.000 0.825 889 K CB 1.361 33.697 32.500 -0.273 0.000 1.119 889 K HN -0.098 nan 8.250 nan 0.000 0.430 890 W N 0.962 122.301 121.300 0.065 0.000 3.033 890 W HA 0.468 5.128 4.660 -0.000 0.000 0.336 890 W C -0.434 176.164 176.519 0.132 0.000 1.173 890 W CA -0.846 56.535 57.345 0.059 0.000 1.185 890 W CB 1.163 30.626 29.460 0.005 0.000 1.425 890 W HN 0.179 nan 8.180 nan 0.000 0.536 891 R N 2.112 122.764 120.500 0.253 0.000 2.343 891 R HA 0.528 4.868 4.340 -0.000 0.000 0.320 891 R C -0.925 175.407 176.300 0.054 0.000 0.956 891 R CA -0.967 55.230 56.100 0.163 0.000 0.836 891 R CB 1.366 31.720 30.300 0.090 0.000 1.151 891 R HN 0.411 nan 8.270 nan 0.000 0.450 892 L N 4.081 125.268 121.223 -0.059 0.000 2.282 892 L HA 0.253 4.593 4.340 -0.000 0.000 0.287 892 L C 0.134 176.975 176.870 -0.048 0.000 1.075 892 L CA -0.621 54.128 54.840 -0.153 0.000 0.839 892 L CB 0.097 41.931 42.059 -0.375 0.000 1.219 892 L HN 0.446 nan 8.230 nan 0.000 0.434 893 N N 0.830 119.526 118.700 -0.007 0.000 2.381 893 N HA 0.129 4.869 4.740 -0.000 0.000 0.254 893 N C 0.998 176.510 175.510 0.003 0.000 1.264 893 N CA -0.193 52.864 53.050 0.012 0.000 0.942 893 N CB 1.306 39.811 38.487 0.030 0.000 1.190 893 N HN 0.389 nan 8.380 nan 0.000 0.495 894 S N 0.344 116.047 115.700 0.004 0.000 2.368 894 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 894 S C 0.936 175.538 174.600 0.002 0.000 1.029 894 S CA 1.360 59.559 58.200 -0.001 0.000 0.988 894 S CB -0.310 62.888 63.200 -0.004 0.000 0.838 894 S HN 0.728 nan 8.310 nan 0.000 0.462 895 D N 0.660 121.065 120.400 0.008 0.000 2.403 895 D HA 0.140 4.780 4.640 -0.000 0.000 0.227 895 D C 1.234 177.541 176.300 0.011 0.000 0.995 895 D CA 0.832 54.836 54.000 0.006 0.000 0.928 895 D CB -0.796 40.009 40.800 0.008 0.000 0.887 895 D HN 0.437 nan 8.370 nan 0.000 0.529 896 G N -0.406 108.408 108.800 0.024 0.000 2.175 896 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 896 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 896 G C 0.346 175.321 174.900 0.125 0.000 0.982 896 G CA 0.298 45.428 45.100 0.050 0.000 0.641 896 G HN 0.850 nan 8.290 nan 0.000 0.527 897 S N -0.386 115.378 115.700 0.106 0.000 2.610 897 S HA 0.775 5.245 4.470 -0.000 0.000 0.273 897 S C 0.040 174.717 174.600 0.128 0.000 1.274 897 S CA -0.662 57.638 58.200 0.167 0.000 1.023 897 S CB 2.009 65.275 63.200 0.110 0.000 0.962 897 S HN 0.605 nan 8.310 nan 0.000 0.523 898 I N 2.221 122.871 120.570 0.134 0.000 2.411 898 I HA 0.332 4.502 4.170 -0.000 0.000 0.284 898 I C -1.071 175.134 176.117 0.146 0.000 1.012 898 I CA -0.867 60.445 61.300 0.021 0.000 1.119 898 I CB 1.761 39.602 38.000 -0.265 0.000 1.261 898 I HN 0.412 nan 8.210 nan 0.000 0.448 899 V N 4.735 124.757 119.914 0.181 0.000 2.483 899 V HA 0.516 4.636 4.120 -0.000 0.000 0.295 899 V C 0.791 177.013 176.094 0.212 0.000 1.035 899 V CA -0.675 61.739 62.300 0.189 0.000 0.896 899 V CB 1.674 33.548 31.823 0.084 0.000 0.986 899 V HN 0.839 nan 8.190 nan 0.000 0.447 900 G N 2.526 111.390 108.800 0.106 0.000 2.364 900 G HA2 0.378 4.338 3.960 -0.000 0.000 0.267 900 G HA3 0.378 4.338 3.960 -0.000 0.000 0.267 900 G C 0.904 175.623 174.900 -0.301 0.000 1.233 900 G CA -0.277 44.587 45.100 -0.394 0.000 0.885 900 G HN 0.550 nan 8.290 nan 0.000 0.490 901 V N 2.175 121.864 119.914 -0.374 0.000 2.255 901 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 901 V C 2.893 178.866 176.094 -0.201 0.000 1.051 901 V CA 2.498 64.655 62.300 -0.238 0.000 1.018 901 V CB -0.649 31.034 31.823 -0.234 0.000 0.641 901 V HN 0.880 nan 8.190 nan 0.000 0.445 902 Q N 0.176 119.830 119.800 -0.243 0.000 2.079 902 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 902 Q C 2.335 178.262 176.000 -0.122 0.000 0.974 902 Q CA 2.263 57.968 55.803 -0.164 0.000 0.840 902 Q CB -0.097 28.541 28.738 -0.167 0.000 0.898 902 Q HN 0.783 nan 8.270 nan 0.000 0.430 903 S N -1.803 113.813 115.700 -0.140 0.000 2.439 903 S HA 0.167 4.637 4.470 -0.000 0.000 0.224 903 S C 1.513 176.075 174.600 -0.062 0.000 1.029 903 S CA 0.680 58.830 58.200 -0.083 0.000 0.946 903 S CB 0.234 63.395 63.200 -0.065 0.000 0.797 903 S HN 0.686 nan 8.310 nan 0.000 0.504 904 G N 1.057 109.815 108.800 -0.070 0.000 2.148 904 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 904 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 904 G C -0.075 174.818 174.900 -0.011 0.000 0.981 904 G CA 0.534 45.608 45.100 -0.043 0.000 0.670 904 G HN 0.550 nan 8.290 nan 0.000 0.528 905 L N -0.438 120.791 121.223 0.009 0.000 2.352 905 L HA 0.615 4.955 4.340 -0.000 0.000 0.269 905 L C 0.870 177.816 176.870 0.126 0.000 1.034 905 L CA -1.179 53.693 54.840 0.053 0.000 0.806 905 L CB 1.578 43.668 42.059 0.052 0.000 1.244 905 L HN 0.172 nan 8.230 nan 0.000 0.447 906 c N 1.556 120.247 118.600 0.151 0.000 2.398 906 c HA 0.398 4.968 4.570 -0.000 0.000 0.364 906 c C 0.514 174.740 174.090 0.228 0.000 1.219 906 c CA -0.787 55.659 56.329 0.195 0.000 2.312 906 c CB 0.819 43.437 42.510 0.180 0.000 2.428 906 c HN 0.517 nan 8.230 nan 0.000 0.564 907 L N 2.593 123.939 121.223 0.205 0.000 2.462 907 L HA 0.192 4.532 4.340 -0.000 0.000 0.272 907 L C -0.096 176.966 176.870 0.320 0.000 1.166 907 L CA 0.763 55.684 54.840 0.135 0.000 0.880 907 L CB 0.097 42.030 42.059 -0.210 0.000 1.142 907 L HN 0.724 nan 8.230 nan 0.000 0.473 908 D N 2.597 123.148 120.400 0.252 0.000 2.649 908 D HA 0.495 5.135 4.640 -0.000 0.000 0.249 908 D C -0.611 175.785 176.300 0.159 0.000 1.112 908 D CA -0.425 53.699 54.000 0.207 0.000 0.850 908 D CB 1.765 42.654 40.800 0.147 0.000 1.399 908 D HN 0.540 nan 8.370 nan 0.000 0.503 909 A N 3.384 126.268 122.820 0.106 0.000 2.376 909 A HA 0.406 4.726 4.320 -0.000 0.000 0.298 909 A C 0.134 177.710 177.584 -0.013 0.000 1.271 909 A CA -0.600 51.475 52.037 0.063 0.000 0.926 909 A CB -0.016 18.981 19.000 -0.005 0.000 1.141 909 A HN 0.535 nan 8.150 nan 0.000 0.539 910 V N 2.887 122.797 119.914 -0.005 0.000 2.780 910 V HA 0.076 4.196 4.120 -0.000 0.000 0.301 910 V C 1.804 177.858 176.094 -0.067 0.000 1.168 910 V CA 1.918 64.190 62.300 -0.047 0.000 1.305 910 V CB -0.505 31.312 31.823 -0.011 0.000 0.858 910 V HN 1.884 nan 8.190 nan 0.000 0.502 911 G N 3.750 112.483 108.800 -0.112 0.000 2.225 911 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.272 911 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.272 911 G C 1.206 176.056 174.900 -0.084 0.000 0.996 911 G CA 0.869 45.911 45.100 -0.096 0.000 0.710 911 G HN 2.563 nan 8.290 nan 0.000 0.522 912 G N -1.610 107.134 108.800 -0.092 0.000 2.153 912 G HA2 0.171 4.131 3.960 -0.000 0.000 0.252 912 G HA3 0.171 4.131 3.960 -0.000 0.000 0.252 912 G C 1.379 176.238 174.900 -0.067 0.000 0.994 912 G CA 0.874 45.922 45.100 -0.086 0.000 0.698 912 G HN 2.128 nan 8.290 nan 0.000 0.521 913 G N -0.868 107.903 108.800 -0.048 0.000 2.562 913 G HA2 0.485 4.445 3.960 -0.000 0.000 0.233 913 G HA3 0.485 4.445 3.960 -0.000 0.000 0.233 913 G C 1.083 175.962 174.900 -0.036 0.000 1.266 913 G CA 1.169 46.251 45.100 -0.030 0.000 0.852 913 G HN 1.456 nan 8.290 nan 0.000 0.581 914 T N -2.278 112.259 114.554 -0.029 0.000 3.009 914 T HA 0.569 4.919 4.350 -0.000 0.000 0.267 914 T C 0.985 175.674 174.700 -0.018 0.000 0.942 914 T CA 0.736 62.814 62.100 -0.036 0.000 0.883 914 T CB 0.178 69.016 68.868 -0.050 0.000 1.192 914 T HN 0.976 nan 8.240 nan 0.000 0.524 915 A N 2.147 124.964 122.820 -0.006 0.000 2.272 915 A HA 0.604 4.924 4.320 -0.000 0.000 0.275 915 A C 0.212 177.817 177.584 0.034 0.000 1.096 915 A CA -0.723 51.314 52.037 0.000 0.000 0.822 915 A CB 0.095 19.097 19.000 0.003 0.000 1.088 915 A HN 0.409 nan 8.150 nan 0.000 0.495 916 N N -0.193 118.527 118.700 0.034 0.000 2.407 916 N HA 0.290 5.030 4.740 -0.000 0.000 0.250 916 N C 1.103 176.717 175.510 0.174 0.000 1.236 916 N CA 1.678 54.812 53.050 0.140 0.000 0.879 916 N CB 0.851 39.413 38.487 0.126 0.000 1.088 916 N HN 1.291 nan 8.380 nan 0.000 0.450 917 G N 0.678 109.609 108.800 0.217 0.000 2.213 917 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.236 917 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.236 917 G C 0.120 175.081 174.900 0.102 0.000 0.991 917 G CA 0.181 45.365 45.100 0.139 0.000 0.629 917 G HN 0.602 nan 8.290 nan 0.000 0.517 918 T N 2.861 117.474 114.554 0.098 0.000 2.829 918 T HA 0.439 4.789 4.350 -0.000 0.000 0.293 918 T C 1.050 175.801 174.700 0.085 0.000 0.970 918 T CA 0.183 62.327 62.100 0.073 0.000 1.168 918 T CB 0.703 69.606 68.868 0.059 0.000 0.911 918 T HN 0.380 nan 8.240 nan 0.000 0.535 919 L N 3.789 125.053 121.223 0.068 0.000 2.453 919 L HA 0.385 4.725 4.340 -0.000 0.000 0.261 919 L C 0.374 177.288 176.870 0.074 0.000 1.179 919 L CA -0.846 54.035 54.840 0.069 0.000 0.813 919 L CB 0.319 42.411 42.059 0.056 0.000 1.110 919 L HN 0.395 nan 8.230 nan 0.000 0.466 920 I N 1.566 122.177 120.570 0.069 0.000 2.412 920 I HA 0.367 4.537 4.170 -0.000 0.000 0.296 920 I C -0.025 176.129 176.117 0.062 0.000 0.987 920 I CA -0.269 61.071 61.300 0.067 0.000 1.180 920 I CB 1.459 39.459 38.000 0.001 0.000 1.340 920 I HN 0.742 nan 8.210 nan 0.000 0.455 921 Q N 5.559 125.410 119.800 0.085 0.000 2.687 921 Q HA 0.712 5.052 4.340 -0.000 0.000 0.305 921 Q C -1.834 174.259 176.000 0.154 0.000 1.006 921 Q CA -0.983 54.886 55.803 0.110 0.000 0.763 921 Q CB 2.441 31.244 28.738 0.108 0.000 1.506 921 Q HN 0.456 nan 8.270 nan 0.000 0.459 922 L N 0.935 122.268 121.223 0.185 0.000 2.343 922 L HA 0.659 4.999 4.340 -0.000 0.000 0.275 922 L C -1.253 175.788 176.870 0.285 0.000 1.056 922 L CA -0.854 54.114 54.840 0.212 0.000 0.804 922 L CB 1.097 43.258 42.059 0.170 0.000 1.203 922 L HN 0.679 nan 8.230 nan 0.000 0.440 923 Y N -0.122 120.226 120.300 0.080 0.000 2.521 923 Y HA 0.124 4.674 4.550 -0.000 0.000 0.326 923 Y C -0.217 175.715 175.900 0.053 0.000 1.176 923 Y CA -0.866 57.270 58.100 0.059 0.000 1.079 923 Y CB 1.682 40.176 38.460 0.056 0.000 1.341 923 Y HN 0.528 nan 8.280 nan 0.000 0.456 924 S N 3.094 118.603 115.700 -0.318 0.000 2.673 924 S HA -0.007 4.463 4.470 -0.000 0.000 0.308 924 S C -0.049 174.574 174.600 0.038 0.000 1.246 924 S CA 0.047 58.155 58.200 -0.153 0.000 1.077 924 S CB -0.608 62.438 63.200 -0.257 0.000 0.814 924 S HN 0.632 nan 8.310 nan 0.000 0.503 925 c N 3.641 122.274 118.600 0.054 0.000 2.641 925 c HA 0.233 4.803 4.570 -0.000 0.000 0.412 925 c C 1.769 175.904 174.090 0.074 0.000 1.312 925 c CA 0.099 56.478 56.329 0.084 0.000 1.838 925 c CB -0.382 42.164 42.510 0.061 0.000 2.682 925 c HN 1.039 nan 8.230 nan 0.000 0.627 926 S N 0.039 115.786 115.700 0.078 0.000 2.904 926 S HA 0.103 4.573 4.470 -0.000 0.000 0.260 926 S C 0.318 174.937 174.600 0.031 0.000 1.000 926 S CA -0.023 58.211 58.200 0.058 0.000 1.274 926 S CB -0.335 62.916 63.200 0.085 0.000 1.196 926 S HN 0.847 nan 8.310 nan 0.000 0.678 927 N N 1.231 119.946 118.700 0.025 0.000 2.778 927 N HA -0.120 4.620 4.740 -0.000 0.000 0.249 927 N C 0.558 176.055 175.510 -0.021 0.000 1.069 927 N CA 1.075 54.126 53.050 0.002 0.000 0.831 927 N CB -1.609 36.878 38.487 -0.000 0.000 1.142 927 N HN 0.806 nan 8.380 nan 0.000 0.573 928 G N 0.228 109.017 108.800 -0.019 0.000 2.594 928 G HA2 0.270 4.230 3.960 -0.000 0.000 0.243 928 G HA3 0.270 4.230 3.960 -0.000 0.000 0.243 928 G C 1.053 175.892 174.900 -0.101 0.000 1.229 928 G CA 0.390 45.460 45.100 -0.049 0.000 0.843 928 G HN 0.282 nan 8.290 nan 0.000 0.578 929 S N 0.283 115.910 115.700 -0.122 0.000 2.474 929 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 929 S C 1.711 176.142 174.600 -0.281 0.000 0.997 929 S CA 1.126 59.219 58.200 -0.179 0.000 0.949 929 S CB -0.226 62.886 63.200 -0.146 0.000 0.766 929 S HN 0.748 nan 8.310 nan 0.000 0.517 930 N N 1.120 119.678 118.700 -0.238 0.000 2.398 930 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 930 N C 0.864 176.174 175.510 -0.333 0.000 1.122 930 N CA 0.186 53.059 53.050 -0.294 0.000 0.866 930 N CB -0.299 38.086 38.487 -0.170 0.000 0.970 930 N HN 0.627 nan 8.380 nan 0.000 0.462 931 Q N -0.436 119.198 119.800 -0.277 0.000 2.149 931 Q HA 0.244 4.584 4.340 -0.000 0.000 0.221 931 Q C -0.298 175.574 176.000 -0.213 0.000 0.807 931 Q CA -0.277 55.472 55.803 -0.091 0.000 1.000 931 Q CB 1.434 30.211 28.738 0.064 0.000 1.157 931 Q HN 0.198 nan 8.270 nan 0.000 0.487 932 R N 0.356 120.528 120.500 -0.546 0.000 2.393 932 R HA 0.424 4.764 4.340 -0.000 0.000 0.310 932 R C -1.748 174.120 176.300 -0.720 0.000 0.968 932 R CA -0.265 55.598 56.100 -0.395 0.000 0.867 932 R CB 0.853 31.011 30.300 -0.236 0.000 1.124 932 R HN -0.068 nan 8.270 nan 0.000 0.450 933 W N 0.983 122.237 121.300 -0.077 0.000 2.962 933 W HA 0.421 5.081 4.660 0.000 0.000 0.341 933 W C -0.729 175.741 176.519 -0.082 0.000 1.155 933 W CA -0.630 56.660 57.345 -0.091 0.000 1.165 933 W CB 2.044 31.422 29.460 -0.136 0.000 1.435 933 W HN 0.289 nan 8.180 nan 0.000 0.546 934 T N 2.575 117.222 114.554 0.154 0.000 2.824 934 T HA 0.377 4.727 4.350 -0.000 0.000 0.282 934 T C -0.270 174.467 174.700 0.061 0.000 0.993 934 T CA -1.023 61.119 62.100 0.070 0.000 0.967 934 T CB 1.040 69.928 68.868 0.032 0.000 0.960 934 T HN 0.077 nan 8.240 nan 0.000 0.441 935 R N 3.468 123.985 120.500 0.028 0.000 2.429 935 R HA 0.265 4.605 4.340 -0.000 0.000 0.302 935 R C 0.841 177.157 176.300 0.025 0.000 1.268 935 R CA -0.232 55.878 56.100 0.016 0.000 1.090 935 R CB -0.571 29.726 30.300 -0.004 0.000 1.102 935 R HN 0.846 nan 8.270 nan 0.000 0.522 936 T N 0.000 114.576 114.554 0.036 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.120 62.100 0.033 0.000 1.349 936 T CB 0.000 68.891 68.868 0.038 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658