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 1isz_1_B DATA FIRST_RESID 501 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGKLGDSAY TTIASREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSAGDRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGST DATA SEQUENCE LRQAMIDHIN GVMGHYKGKI AQWDVVNEAF 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 0.000 177.579 177.584 -0.009 0.000 1.274 501 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 501 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 502 E N -1.179 119.014 120.200 -0.012 0.000 2.904 502 E HA 0.185 4.535 4.350 -0.000 0.000 0.162 502 E C 0.220 176.808 176.600 -0.020 0.000 0.909 502 E CA 0.667 57.055 56.400 -0.021 0.000 1.368 502 E CB -0.039 29.650 29.700 -0.018 0.000 1.007 502 E HN 0.805 nan 8.360 nan 0.000 0.451 503 S N -0.017 115.678 115.700 -0.009 0.000 2.523 503 S HA 0.102 4.572 4.470 -0.000 0.000 0.217 503 S C 0.869 175.489 174.600 0.034 0.000 0.996 503 S CA 0.435 58.643 58.200 0.013 0.000 0.921 503 S CB 0.206 63.413 63.200 0.012 0.000 0.829 503 S HN 0.333 nan 8.310 nan 0.000 0.495 504 T N -1.011 113.541 114.554 -0.004 0.000 2.907 504 T HA 0.653 5.003 4.350 -0.000 0.000 0.292 504 T C 0.894 175.529 174.700 -0.108 0.000 1.043 504 T CA -0.949 61.144 62.100 -0.013 0.000 1.003 504 T CB 1.269 70.118 68.868 -0.032 0.000 1.084 504 T HN 0.010 nan 8.240 nan 0.000 0.483 505 L N 1.534 122.627 121.223 -0.217 0.000 1.989 505 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 505 L C 3.011 179.795 176.870 -0.143 0.000 1.071 505 L CA 1.955 56.558 54.840 -0.396 0.000 0.749 505 L CB -1.132 40.474 42.059 -0.755 0.000 0.890 505 L HN 0.979 nan 8.230 nan 0.000 0.431 506 G N -0.397 108.387 108.800 -0.026 0.000 2.446 506 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 506 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 506 G C 1.759 176.707 174.900 0.081 0.000 1.168 506 G CA 0.923 46.098 45.100 0.126 0.000 0.771 506 G HN 0.483 nan 8.290 nan 0.000 0.551 507 A N 0.974 123.807 122.820 0.023 0.000 1.933 507 A HA 0.298 4.618 4.320 -0.000 0.000 0.218 507 A C 2.788 180.379 177.584 0.011 0.000 1.175 507 A CA 2.213 54.260 52.037 0.017 0.000 0.628 507 A CB -0.670 18.328 19.000 -0.002 0.000 0.814 507 A HN 0.787 nan 8.150 nan 0.000 0.444 508 A N -0.157 122.654 122.820 -0.014 0.000 1.898 508 A HA 0.219 4.539 4.320 -0.000 0.000 0.216 508 A C 2.485 180.078 177.584 0.015 0.000 1.181 508 A CA 1.864 53.888 52.037 -0.022 0.000 0.620 508 A CB -0.959 17.994 19.000 -0.078 0.000 0.819 508 A HN 1.024 nan 8.150 nan 0.000 0.442 509 A N -0.120 122.734 122.820 0.056 0.000 1.972 509 A HA 0.190 4.510 4.320 -0.000 0.000 0.219 509 A C 2.414 180.047 177.584 0.082 0.000 1.169 509 A CA 1.846 53.948 52.037 0.108 0.000 0.635 509 A CB -0.877 18.261 19.000 0.231 0.000 0.810 509 A HN 1.058 nan 8.150 nan 0.000 0.446 510 A N -0.723 122.146 122.820 0.082 0.000 2.070 510 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 510 A C 1.968 179.578 177.584 0.043 0.000 1.159 510 A CA 1.419 53.497 52.037 0.069 0.000 0.656 510 A CB -0.504 18.535 19.000 0.065 0.000 0.800 510 A HN 0.661 nan 8.150 nan 0.000 0.453 511 Q N -0.050 119.769 119.800 0.031 0.000 2.439 511 Q HA -0.087 4.253 4.340 -0.000 0.000 0.211 511 Q C 1.329 177.340 176.000 0.018 0.000 0.978 511 Q CA 1.285 57.099 55.803 0.019 0.000 0.897 511 Q CB -0.106 28.638 28.738 0.010 0.000 0.956 511 Q HN 0.794 nan 8.270 nan 0.000 0.483 512 S N -2.546 113.167 115.700 0.022 0.000 2.754 512 S HA 0.379 4.849 4.470 -0.000 0.000 0.247 512 S C 0.956 175.567 174.600 0.017 0.000 1.031 512 S CA 0.041 58.250 58.200 0.015 0.000 1.014 512 S CB 1.010 64.216 63.200 0.010 0.000 0.918 512 S HN 0.384 nan 8.310 nan 0.000 0.519 513 G N 1.513 110.331 108.800 0.029 0.000 2.155 513 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 513 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 513 G C 0.117 175.042 174.900 0.042 0.000 0.983 513 G CA 0.305 45.428 45.100 0.037 0.000 0.676 513 G HN 0.644 nan 8.290 nan 0.000 0.528 514 R N -1.163 119.357 120.500 0.032 0.000 2.893 514 R HA 0.740 5.080 4.340 -0.000 0.000 0.245 514 R C 0.019 176.367 176.300 0.080 0.000 1.192 514 R CA -0.618 55.473 56.100 -0.015 0.000 1.077 514 R CB 0.810 31.056 30.300 -0.090 0.000 1.253 514 R HN 0.473 nan 8.270 nan 0.000 0.505 515 Y N -1.584 118.774 120.300 0.097 0.000 2.598 515 Y HA 0.701 5.251 4.550 -0.000 0.000 0.340 515 Y C -1.260 174.753 175.900 0.188 0.000 1.038 515 Y CA -1.801 56.379 58.100 0.133 0.000 1.100 515 Y CB 1.131 39.647 38.460 0.094 0.000 1.281 515 Y HN 0.417 nan 8.280 nan 0.000 0.488 516 F N 1.370 121.577 119.950 0.429 0.000 2.612 516 F HA 0.771 5.298 4.527 -0.000 0.000 0.332 516 F C -0.082 176.045 175.800 0.545 0.000 1.167 516 F CA -0.776 57.468 58.000 0.406 0.000 0.970 516 F CB 1.537 40.699 39.000 0.270 0.000 1.234 516 F HN 0.957 nan 8.300 nan 0.000 0.453 517 G N 1.947 111.019 108.800 0.453 0.000 3.013 517 G HA2 0.644 4.604 3.960 -0.000 0.000 0.278 517 G HA3 0.644 4.604 3.960 -0.000 0.000 0.278 517 G C -1.335 173.472 174.900 -0.154 0.000 1.353 517 G CA -0.701 44.556 45.100 0.260 0.000 1.043 517 G HN 0.622 nan 8.290 nan 0.000 0.523 518 T N -2.025 112.255 114.554 -0.457 0.000 2.787 518 T HA 0.642 4.992 4.350 -0.000 0.000 0.297 518 T C -0.966 173.488 174.700 -0.409 0.000 1.221 518 T CA 0.202 61.922 62.100 -0.633 0.000 1.006 518 T CB 1.369 69.422 68.868 -1.358 0.000 1.328 518 T HN 1.252 nan 8.240 nan 0.000 0.509 519 A N 2.502 125.028 122.820 -0.490 0.000 2.301 519 A HA 0.738 5.058 4.320 -0.000 0.000 0.312 519 A C -0.584 176.726 177.584 -0.456 0.000 1.182 519 A CA -0.582 51.063 52.037 -0.654 0.000 0.826 519 A CB 0.198 18.306 19.000 -1.488 0.000 1.134 519 A HN 0.650 nan 8.150 nan 0.000 0.501 520 I N 1.653 122.026 120.570 -0.329 0.000 2.433 520 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 520 I C 0.435 176.449 176.117 -0.173 0.000 1.001 520 I CA -0.335 60.845 61.300 -0.200 0.000 1.119 520 I CB 1.381 39.254 38.000 -0.212 0.000 1.289 520 I HN 0.711 nan 8.210 nan 0.000 0.438 521 A N 4.099 126.840 122.820 -0.132 0.000 2.271 521 A HA 0.462 4.782 4.320 -0.000 0.000 0.317 521 A C 1.043 178.506 177.584 -0.203 0.000 1.245 521 A CA -0.260 51.671 52.037 -0.178 0.000 0.857 521 A CB 0.684 19.553 19.000 -0.219 0.000 1.175 521 A HN 0.835 nan 8.150 nan 0.000 0.512 522 S N 2.524 118.143 115.700 -0.134 0.000 2.400 522 S HA -0.131 4.339 4.470 -0.000 0.000 0.232 522 S C 1.707 176.222 174.600 -0.141 0.000 1.025 522 S CA 1.599 59.730 58.200 -0.115 0.000 0.993 522 S CB -0.542 62.639 63.200 -0.031 0.000 0.808 522 S HN 1.192 nan 8.310 nan 0.000 0.478 523 G N 1.079 109.790 108.800 -0.149 0.000 2.598 523 G HA2 0.015 3.975 3.960 -0.000 0.000 0.215 523 G HA3 0.015 3.975 3.960 -0.000 0.000 0.215 523 G C 1.335 176.098 174.900 -0.227 0.000 1.131 523 G CA 0.203 45.213 45.100 -0.149 0.000 0.785 523 G HN 0.598 nan 8.290 nan 0.000 0.539 524 K N -0.343 119.832 120.400 -0.375 0.000 2.358 524 K HA 0.346 4.666 4.320 -0.000 0.000 0.200 524 K C 1.730 178.052 176.600 -0.464 0.000 1.030 524 K CA -0.330 55.606 56.287 -0.585 0.000 1.097 524 K CB 0.310 32.075 32.500 -1.225 0.000 0.862 524 K HN 0.213 nan 8.250 nan 0.000 0.534 525 L N 0.187 121.235 121.223 -0.291 0.000 2.456 525 L HA -0.049 4.291 4.340 -0.000 0.000 0.224 525 L C 1.928 178.757 176.870 -0.069 0.000 1.148 525 L CA 0.904 55.628 54.840 -0.194 0.000 0.825 525 L CB -0.221 41.684 42.059 -0.255 0.000 0.937 525 L HN 0.281 nan 8.230 nan 0.000 0.450 526 G N -1.626 107.128 108.800 -0.076 0.000 2.985 526 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.209 526 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.209 526 G C 0.268 175.159 174.900 -0.014 0.000 1.165 526 G CA -0.160 44.925 45.100 -0.025 0.000 0.776 526 G HN 0.159 nan 8.290 nan 0.000 0.541 527 D N 1.049 121.432 120.400 -0.029 0.000 2.428 527 D HA 0.164 4.804 4.640 -0.000 0.000 0.221 527 D C 1.866 178.208 176.300 0.069 0.000 1.123 527 D CA 0.008 54.009 54.000 0.002 0.000 0.869 527 D CB 1.161 41.935 40.800 -0.043 0.000 1.032 527 D HN 0.106 nan 8.370 nan 0.000 0.506 528 S N 2.887 118.621 115.700 0.056 0.000 2.419 528 S HA -0.196 4.274 4.470 -0.000 0.000 0.235 528 S C 1.917 176.553 174.600 0.060 0.000 1.019 528 S CA 0.902 59.142 58.200 0.066 0.000 0.982 528 S CB -0.125 63.103 63.200 0.045 0.000 0.789 528 S HN 0.431 nan 8.310 nan 0.000 0.490 529 A N 0.422 123.274 122.820 0.054 0.000 1.929 529 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 529 A C 1.988 179.599 177.584 0.045 0.000 1.176 529 A CA 1.241 53.298 52.037 0.034 0.000 0.628 529 A CB -1.019 17.999 19.000 0.030 0.000 0.816 529 A HN 0.658 nan 8.150 nan 0.000 0.444 530 Y N 1.670 121.933 120.300 -0.061 0.000 2.130 530 Y HA -0.200 4.350 4.550 -0.000 0.000 0.287 530 Y C 2.942 178.801 175.900 -0.068 0.000 1.124 530 Y CA 2.631 60.679 58.100 -0.086 0.000 1.118 530 Y CB -0.657 37.737 38.460 -0.109 0.000 0.994 530 Y HN 0.417 nan 8.280 nan 0.000 0.497 531 T N -3.306 111.309 114.554 0.102 0.000 2.833 531 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 531 T C 1.821 176.598 174.700 0.128 0.000 1.054 531 T CA 1.753 63.927 62.100 0.124 0.000 1.135 531 T CB -1.115 67.918 68.868 0.274 0.000 0.869 531 T HN 0.344 nan 8.240 nan 0.000 0.466 532 T N 2.240 116.823 114.554 0.049 0.000 2.684 532 T HA 0.017 4.367 4.350 -0.000 0.000 0.267 532 T C 1.893 176.558 174.700 -0.058 0.000 1.036 532 T CA 1.601 63.705 62.100 0.007 0.000 1.148 532 T CB -0.472 68.385 68.868 -0.019 0.000 0.863 532 T HN 0.421 nan 8.240 nan 0.000 0.436 533 I N 1.112 121.588 120.570 -0.157 0.000 2.163 533 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 533 I C 2.970 178.978 176.117 -0.182 0.000 1.081 533 I CA 1.143 62.259 61.300 -0.306 0.000 1.353 533 I CB -0.610 37.047 38.000 -0.573 0.000 1.054 533 I HN 0.189 nan 8.210 nan 0.000 0.407 534 A N 1.142 123.902 122.820 -0.099 0.000 1.873 534 A HA -0.281 4.038 4.320 -0.000 0.000 0.218 534 A C 2.518 180.329 177.584 0.378 0.000 1.193 534 A CA 2.797 54.946 52.037 0.186 0.000 0.629 534 A CB -1.097 17.840 19.000 -0.106 0.000 0.826 534 A HN 0.556 nan 8.150 nan 0.000 0.447 535 S N -0.403 115.505 115.700 0.347 0.000 2.382 535 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 535 S C 2.054 176.667 174.600 0.022 0.000 1.027 535 S CA 1.321 59.601 58.200 0.133 0.000 0.991 535 S CB -0.452 62.757 63.200 0.015 0.000 0.823 535 S HN 0.652 nan 8.310 nan 0.000 0.469 536 R N 1.164 121.659 120.500 -0.008 0.000 2.062 536 R HA 0.000 4.340 4.340 -0.000 0.000 0.229 536 R C 1.864 178.104 176.300 -0.101 0.000 1.128 536 R CA 1.450 57.515 56.100 -0.058 0.000 0.960 536 R CB -0.114 30.142 30.300 -0.074 0.000 0.855 536 R HN 0.397 nan 8.270 nan 0.000 0.432 537 E N -0.440 119.629 120.200 -0.218 0.000 2.318 537 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 537 E C -0.231 176.039 176.600 -0.550 0.000 0.998 537 E CA 0.479 56.607 56.400 -0.452 0.000 0.859 537 E CB 0.270 29.526 29.700 -0.741 0.000 0.812 537 E HN 0.150 nan 8.360 nan 0.000 0.492 538 F N 1.546 121.574 119.950 0.131 0.000 2.522 538 F HA 0.248 4.775 4.527 -0.000 0.000 0.324 538 F C 1.012 176.883 175.800 0.118 0.000 1.077 538 F CA -1.164 56.943 58.000 0.177 0.000 0.944 538 F CB 0.942 40.059 39.000 0.195 0.000 1.175 538 F HN -0.188 nan 8.300 nan 0.000 0.468 539 N N 1.001 119.896 118.700 0.325 0.000 2.238 539 N HA 0.312 5.052 4.740 -0.000 0.000 0.235 539 N C -0.717 174.857 175.510 0.107 0.000 1.209 539 N CA -0.066 53.087 53.050 0.171 0.000 0.879 539 N CB 0.776 39.349 38.487 0.145 0.000 1.136 539 N HN 0.605 nan 8.380 nan 0.000 0.517 540 M N 0.340 120.013 119.600 0.121 0.000 2.371 540 M HA 0.560 5.040 4.480 -0.000 0.000 0.287 540 M C -2.233 174.048 176.300 -0.032 0.000 1.149 540 M CA -0.735 54.521 55.300 -0.074 0.000 0.929 540 M CB 2.394 34.792 32.600 -0.337 0.000 1.683 540 M HN -0.171 nan 8.290 nan 0.000 0.470 541 V N 2.850 122.715 119.914 -0.081 0.000 2.789 541 V HA 0.816 4.936 4.120 -0.000 0.000 0.311 541 V C -0.763 175.266 176.094 -0.109 0.000 1.073 541 V CA -0.504 61.760 62.300 -0.060 0.000 0.921 541 V CB 2.590 34.440 31.823 0.045 0.000 1.009 541 V HN 0.902 nan 8.190 nan 0.000 0.426 542 T N 3.250 117.729 114.554 -0.125 0.000 2.848 542 T HA 0.657 5.007 4.350 -0.000 0.000 0.285 542 T C -0.085 174.533 174.700 -0.137 0.000 0.995 542 T CA -0.291 61.743 62.100 -0.110 0.000 0.970 542 T CB 1.679 70.527 68.868 -0.033 0.000 0.976 542 T HN 0.952 nan 8.240 nan 0.000 0.441 543 A N 1.945 124.724 122.820 -0.069 0.000 2.409 543 A HA 0.305 4.625 4.320 -0.000 0.000 0.267 543 A C 1.332 178.891 177.584 -0.041 0.000 1.127 543 A CA -0.355 51.655 52.037 -0.046 0.000 0.795 543 A CB 0.040 19.057 19.000 0.027 0.000 1.061 543 A HN 1.062 nan 8.150 nan 0.000 0.502 544 E N 2.053 122.157 120.200 -0.159 0.000 2.153 544 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 544 E C 0.639 177.298 176.600 0.098 0.000 0.988 544 E CA 1.706 57.995 56.400 -0.185 0.000 0.811 544 E CB 0.083 29.575 29.700 -0.347 0.000 0.746 544 E HN 0.804 nan 8.360 nan 0.000 0.466 545 N N -1.199 117.558 118.700 0.096 0.000 1.952 545 N HA -0.019 4.721 4.740 -0.000 0.000 0.231 545 N C 0.698 176.300 175.510 0.153 0.000 1.378 545 N CA 0.171 53.314 53.050 0.154 0.000 0.828 545 N CB 0.334 38.886 38.487 0.108 0.000 1.097 545 N HN -0.018 nan 8.380 nan 0.000 0.476 546 E N 0.873 121.148 120.200 0.126 0.000 2.333 546 E HA 0.064 4.414 4.350 -0.000 0.000 0.198 546 E C 1.134 177.867 176.600 0.221 0.000 1.007 546 E CA 0.992 57.483 56.400 0.152 0.000 0.845 546 E CB -0.025 29.754 29.700 0.132 0.000 0.766 546 E HN 0.351 nan 8.360 nan 0.000 0.507 547 M N -0.121 119.621 119.600 0.236 0.000 2.405 547 M HA 0.154 4.634 4.480 -0.000 0.000 0.292 547 M C -0.062 176.442 176.300 0.341 0.000 1.111 547 M CA -0.100 55.392 55.300 0.321 0.000 0.979 547 M CB 0.599 33.360 32.600 0.268 0.000 1.426 547 M HN -0.161 nan 8.290 nan 0.000 0.509 548 K N 0.520 121.083 120.400 0.272 0.000 2.132 548 K HA 0.259 4.579 4.320 -0.000 0.000 0.240 548 K C 1.099 177.855 176.600 0.260 0.000 1.036 548 K CA -0.238 56.200 56.287 0.251 0.000 0.888 548 K CB 1.182 33.829 32.500 0.244 0.000 1.071 548 K HN 0.085 nan 8.250 nan 0.000 0.502 549 I N 1.176 121.849 120.570 0.173 0.000 2.179 549 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 549 I C 1.935 178.057 176.117 0.008 0.000 1.088 549 I CA 1.414 62.709 61.300 -0.007 0.000 1.357 549 I CB -0.506 37.319 38.000 -0.291 0.000 1.051 549 I HN 0.717 nan 8.210 nan 0.000 0.409 550 D N 1.726 122.116 120.400 -0.017 0.000 2.219 550 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 550 D C 1.953 178.287 176.300 0.057 0.000 0.970 550 D CA 1.435 55.424 54.000 -0.018 0.000 0.851 550 D CB -0.266 40.499 40.800 -0.059 0.000 0.943 550 D HN 0.359 nan 8.370 nan 0.000 0.488 551 A N 0.436 123.316 122.820 0.100 0.000 2.021 551 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 551 A C 2.256 179.910 177.584 0.116 0.000 1.163 551 A CA 1.706 53.808 52.037 0.109 0.000 0.676 551 A CB -0.617 18.463 19.000 0.135 0.000 0.818 551 A HN 0.422 nan 8.150 nan 0.000 0.453 552 T N -3.305 111.363 114.554 0.191 0.000 3.037 552 T HA 0.186 4.536 4.350 -0.000 0.000 0.251 552 T C 0.580 175.341 174.700 0.102 0.000 1.079 552 T CA 0.779 62.973 62.100 0.158 0.000 1.067 552 T CB 0.092 69.200 68.868 0.400 0.000 0.948 552 T HN 0.438 nan 8.240 nan 0.000 0.496 553 E N 1.429 121.736 120.200 0.179 0.000 3.352 553 E HA 0.284 4.634 4.350 -0.000 0.000 0.254 553 E C -2.402 174.315 176.600 0.195 0.000 1.229 553 E CA -1.946 54.483 56.400 0.049 0.000 0.949 553 E CB 1.276 31.090 29.700 0.189 0.000 1.373 553 E HN 0.071 nan 8.360 nan 0.000 0.392 554 P HA -0.152 nan 4.420 nan 0.000 0.216 554 P C -0.179 177.253 177.300 0.220 0.000 1.150 554 P CA 1.164 64.346 63.100 0.137 0.000 0.843 554 P CB 0.261 31.974 31.700 0.022 0.000 0.787 555 Q N -1.474 118.285 119.800 -0.068 0.000 2.397 555 Q HA 0.275 4.615 4.340 -0.000 0.000 0.275 555 Q C -0.329 175.099 176.000 -0.953 0.000 1.090 555 Q CA -0.982 54.550 55.803 -0.452 0.000 0.809 555 Q CB 1.811 30.368 28.738 -0.302 0.000 1.362 555 Q HN -0.023 nan 8.270 nan 0.000 0.431 556 R N -0.001 119.463 120.500 -1.726 0.000 2.480 556 R HA 0.161 4.501 4.340 -0.000 0.000 0.303 556 R C 0.879 176.686 176.300 -0.822 0.000 0.985 556 R CA 1.745 56.831 56.100 -1.690 0.000 1.051 556 R CB -0.347 29.061 30.300 -1.487 0.000 0.935 556 R HN 0.924 nan 8.270 nan 0.000 0.410 557 G N 3.161 111.537 108.800 -0.706 0.000 2.179 557 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 557 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 557 G C -0.123 174.505 174.900 -0.454 0.000 0.977 557 G CA 0.366 45.195 45.100 -0.451 0.000 0.641 557 G HN 0.612 nan 8.290 nan 0.000 0.533 558 Q N 0.066 119.521 119.800 -0.575 0.000 2.462 558 Q HA 0.615 4.955 4.340 -0.000 0.000 0.247 558 Q C -0.447 175.276 176.000 -0.461 0.000 1.044 558 Q CA -0.541 55.039 55.803 -0.372 0.000 0.803 558 Q CB 0.512 29.088 28.738 -0.270 0.000 1.190 558 Q HN 0.319 nan 8.270 nan 0.000 0.507 559 F N 1.412 121.248 119.950 -0.190 0.000 2.389 559 F HA 0.325 4.852 4.527 -0.000 0.000 0.337 559 F C 0.792 176.263 175.800 -0.547 0.000 1.112 559 F CA -0.470 57.288 58.000 -0.404 0.000 1.192 559 F CB 0.841 39.565 39.000 -0.460 0.000 1.185 559 F HN 0.362 nan 8.300 nan 0.000 0.552 560 N N 2.663 121.031 118.700 -0.553 0.000 2.519 560 N HA 0.227 4.967 4.740 -0.000 0.000 0.286 560 N C -1.053 174.155 175.510 -0.503 0.000 1.079 560 N CA -0.340 52.468 53.050 -0.404 0.000 0.878 560 N CB 0.647 39.036 38.487 -0.164 0.000 1.375 560 N HN 0.390 nan 8.380 nan 0.000 0.514 561 F N 1.074 121.002 119.950 -0.036 0.000 2.668 561 F HA 0.152 4.679 4.527 -0.000 0.000 0.301 561 F C 2.212 178.059 175.800 0.078 0.000 1.106 561 F CA -0.296 57.689 58.000 -0.026 0.000 1.289 561 F CB 0.101 38.843 39.000 -0.431 0.000 1.006 561 F HN 0.443 nan 8.300 nan 0.000 0.535 562 S N 0.529 116.330 115.700 0.168 0.000 2.356 562 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 562 S C 2.339 177.045 174.600 0.176 0.000 1.032 562 S CA 1.143 59.438 58.200 0.158 0.000 1.005 562 S CB -0.722 62.535 63.200 0.094 0.000 0.867 562 S HN 0.272 nan 8.310 nan 0.000 0.449 563 A N 1.892 124.808 122.820 0.159 0.000 1.897 563 A HA 0.297 4.617 4.320 -0.000 0.000 0.215 563 A C 2.424 180.130 177.584 0.205 0.000 1.181 563 A CA 1.422 53.548 52.037 0.148 0.000 0.620 563 A CB -1.708 17.360 19.000 0.114 0.000 0.821 563 A HN 0.655 nan 8.150 nan 0.000 0.443 564 G N -0.207 108.769 108.800 0.293 0.000 2.418 564 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 564 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 564 G C 1.089 176.243 174.900 0.423 0.000 1.158 564 G CA 1.220 46.539 45.100 0.367 0.000 0.771 564 G HN 0.435 nan 8.290 nan 0.000 0.545 565 D N 0.335 121.014 120.400 0.465 0.000 2.178 565 D HA -0.029 4.611 4.640 -0.000 0.000 0.201 565 D C 2.680 179.197 176.300 0.362 0.000 0.980 565 D CA 0.462 54.740 54.000 0.464 0.000 0.842 565 D CB -0.157 40.880 40.800 0.394 0.000 0.948 565 D HN 0.261 nan 8.370 nan 0.000 0.472 566 R N 0.073 120.733 120.500 0.266 0.000 2.081 566 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 566 R C 2.292 178.725 176.300 0.223 0.000 1.131 566 R CA 0.668 56.893 56.100 0.208 0.000 0.960 566 R CB -0.291 30.092 30.300 0.139 0.000 0.856 566 R HN 0.092 nan 8.270 nan 0.000 0.436 567 V N 0.005 120.044 119.914 0.208 0.000 2.307 567 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 567 V C 1.909 178.156 176.094 0.254 0.000 1.045 567 V CA 1.636 64.045 62.300 0.182 0.000 1.024 567 V CB -0.588 31.301 31.823 0.111 0.000 0.651 567 V HN 0.287 nan 8.190 nan 0.000 0.449 568 Y N 2.021 122.415 120.300 0.157 0.000 2.145 568 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 568 Y C 2.532 178.522 175.900 0.150 0.000 1.145 568 Y CA 2.068 60.246 58.100 0.131 0.000 1.148 568 Y CB -0.404 38.163 38.460 0.177 0.000 0.981 568 Y HN 0.290 nan 8.280 nan 0.000 0.507 569 N N -0.364 118.435 118.700 0.164 0.000 2.104 569 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 569 N C 1.575 177.087 175.510 0.004 0.000 1.024 569 N CA 1.690 54.768 53.050 0.047 0.000 0.853 569 N CB -1.237 37.352 38.487 0.169 0.000 1.008 569 N HN 0.648 nan 8.380 nan 0.000 0.424 570 W N 1.964 123.234 121.300 -0.049 0.000 2.335 570 W HA -0.103 4.557 4.660 0.000 0.000 0.311 570 W C 2.404 178.866 176.519 -0.095 0.000 1.213 570 W CA 2.397 59.715 57.345 -0.045 0.000 1.274 570 W CB -0.457 29.001 29.460 -0.003 0.000 1.148 570 W HN 0.102 nan 8.180 nan 0.000 0.498 571 A N 0.256 123.135 122.820 0.099 0.000 1.851 571 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 571 A C 2.114 179.512 177.584 -0.310 0.000 1.195 571 A CA 3.336 55.318 52.037 -0.092 0.000 0.622 571 A CB -1.691 17.290 19.000 -0.031 0.000 0.831 571 A HN 0.593 nan 8.150 nan 0.000 0.444 572 V N -2.053 117.624 119.914 -0.394 0.000 2.407 572 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 572 V C 2.414 178.342 176.094 -0.277 0.000 1.055 572 V CA 2.524 64.611 62.300 -0.355 0.000 1.049 572 V CB -1.271 30.281 31.823 -0.452 0.000 0.662 572 V HN 0.565 nan 8.190 nan 0.000 0.455 573 Q N 1.503 121.129 119.800 -0.289 0.000 2.170 573 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 573 Q C 1.720 177.528 176.000 -0.321 0.000 0.976 573 Q CA 1.956 57.606 55.803 -0.255 0.000 0.858 573 Q CB -0.363 28.237 28.738 -0.230 0.000 0.907 573 Q HN 0.748 nan 8.270 nan 0.000 0.433 574 N N -0.680 117.736 118.700 -0.473 0.000 2.279 574 N HA 0.154 4.894 4.740 -0.000 0.000 0.226 574 N C -0.100 175.221 175.510 -0.314 0.000 1.126 574 N CA 0.723 53.482 53.050 -0.486 0.000 0.846 574 N CB 0.878 38.829 38.487 -0.893 0.000 1.050 574 N HN 0.392 nan 8.380 nan 0.000 0.502 575 G N 1.209 109.868 108.800 -0.235 0.000 2.198 575 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 575 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 575 G C -0.043 174.785 174.900 -0.120 0.000 1.025 575 G CA 0.531 45.540 45.100 -0.151 0.000 0.769 575 G HN 0.283 nan 8.290 nan 0.000 0.507 576 K N -0.328 119.984 120.400 -0.146 0.000 2.166 576 K HA 0.676 4.996 4.320 -0.000 0.000 0.245 576 K C 0.622 177.163 176.600 -0.099 0.000 0.967 576 K CA -0.608 55.627 56.287 -0.087 0.000 0.863 576 K CB 1.341 33.813 32.500 -0.047 0.000 1.107 576 K HN 0.330 nan 8.250 nan 0.000 0.436 577 Q N 0.251 119.998 119.800 -0.088 0.000 2.180 577 Q HA 0.578 4.918 4.340 -0.000 0.000 0.241 577 Q C -0.887 175.037 176.000 -0.127 0.000 0.970 577 Q CA -1.054 54.688 55.803 -0.103 0.000 0.919 577 Q CB 1.746 30.414 28.738 -0.116 0.000 1.222 577 Q HN 0.215 nan 8.270 nan 0.000 0.482 578 V N 1.098 120.936 119.914 -0.126 0.000 2.656 578 V HA 0.445 4.565 4.120 -0.000 0.000 0.307 578 V C -0.695 175.243 176.094 -0.259 0.000 1.051 578 V CA -0.840 61.366 62.300 -0.157 0.000 0.893 578 V CB 1.941 33.721 31.823 -0.072 0.000 0.999 578 V HN 0.646 nan 8.190 nan 0.000 0.426 579 R N 2.164 122.497 120.500 -0.278 0.000 2.294 579 R HA 0.601 4.941 4.340 -0.000 0.000 0.319 579 R C 0.265 176.299 176.300 -0.443 0.000 0.984 579 R CA -0.475 55.434 56.100 -0.317 0.000 0.861 579 R CB 1.887 32.073 30.300 -0.191 0.000 1.104 579 R HN 0.910 nan 8.270 nan 0.000 0.451 580 G N 1.501 109.808 108.800 -0.822 0.000 2.353 580 G HA2 0.219 4.179 3.960 -0.000 0.000 0.284 580 G HA3 0.219 4.179 3.960 -0.000 0.000 0.284 580 G C -1.031 173.711 174.900 -0.263 0.000 1.172 580 G CA -0.042 44.321 45.100 -1.228 0.000 0.854 580 G HN 0.645 nan 8.290 nan 0.000 0.485 581 H N 0.209 119.225 119.070 -0.090 0.000 3.018 581 H HA 0.615 5.171 4.556 -0.000 0.000 0.334 581 H C -0.784 174.655 175.328 0.186 0.000 0.983 581 H CA -0.312 55.782 56.048 0.076 0.000 1.363 581 H CB 2.111 31.884 29.762 0.018 0.000 1.668 581 H HN 0.637 nan 8.280 nan 0.000 0.513 582 T N 4.551 119.072 114.554 -0.055 0.000 2.894 582 T HA 0.268 4.618 4.350 -0.000 0.000 0.309 582 T C 0.562 175.345 174.700 0.139 0.000 1.208 582 T CA -0.681 61.361 62.100 -0.097 0.000 1.016 582 T CB 1.139 69.589 68.868 -0.696 0.000 1.192 582 T HN 0.575 nan 8.240 nan 0.000 0.491 583 L N 1.897 123.207 121.223 0.144 0.000 2.162 583 L HA 0.498 4.838 4.340 -0.000 0.000 0.205 583 L C 1.208 178.206 176.870 0.212 0.000 1.086 583 L CA 0.429 55.361 54.840 0.154 0.000 0.778 583 L CB -0.146 41.881 42.059 -0.053 0.000 0.928 583 L HN 0.692 nan 8.230 nan 0.000 0.446 584 A N -1.218 121.713 122.820 0.186 0.000 2.381 584 A HA 0.564 4.884 4.320 -0.000 0.000 0.299 584 A C -2.063 175.765 177.584 0.408 0.000 1.049 584 A CA -0.207 52.001 52.037 0.285 0.000 0.715 584 A CB 1.198 20.423 19.000 0.375 0.000 1.222 584 A HN 0.161 nan 8.150 nan 0.000 0.428 585 W N 3.708 125.065 121.300 0.095 0.000 3.419 585 W HA 0.359 5.018 4.660 -0.000 0.000 0.298 585 W C 0.492 176.995 176.519 -0.026 0.000 1.260 585 W CA -0.796 56.597 57.345 0.079 0.000 1.199 585 W CB 0.803 30.238 29.460 -0.041 0.000 1.349 585 W HN 0.841 nan 8.180 nan 0.000 0.557 586 H N 1.113 120.178 119.070 -0.008 0.000 2.502 586 H HA 0.142 4.698 4.556 -0.000 0.000 0.283 586 H C 0.355 175.381 175.328 -0.503 0.000 1.015 586 H CA 1.066 56.967 56.048 -0.245 0.000 1.298 586 H CB -0.034 29.641 29.762 -0.145 0.000 1.411 586 H HN 0.096 nan 8.280 nan 0.000 0.556 587 S N 0.044 114.692 115.700 -1.754 0.000 2.654 587 S HA 0.164 4.634 4.470 -0.000 0.000 0.283 587 S C 0.070 173.949 174.600 -1.201 0.000 1.180 587 S CA -0.428 56.797 58.200 -1.626 0.000 1.021 587 S CB 0.833 62.735 63.200 -2.163 0.000 1.018 587 S HN 0.541 nan 8.310 nan 0.000 0.532 588 Q N 0.624 119.975 119.800 -0.748 0.000 2.453 588 Q HA -0.201 4.139 4.340 -0.000 0.000 0.294 588 Q C -0.642 175.172 176.000 -0.311 0.000 1.295 588 Q CA 0.673 56.228 55.803 -0.413 0.000 0.853 588 Q CB -1.225 27.348 28.738 -0.276 0.000 1.193 588 Q HN 0.663 nan 8.270 nan 0.000 0.461 589 Q N 1.049 120.635 119.800 -0.357 0.000 2.259 589 Q HA 0.351 4.691 4.340 -0.000 0.000 0.249 589 Q C -1.947 173.832 176.000 -0.368 0.000 0.914 589 Q CA -1.764 53.818 55.803 -0.369 0.000 0.904 589 Q CB 0.889 29.387 28.738 -0.400 0.000 1.213 589 Q HN 0.141 nan 8.270 nan 0.000 0.428 590 P HA -0.062 nan 4.420 nan 0.000 0.272 590 P C 0.412 177.435 177.300 -0.463 0.000 1.230 590 P CA 0.102 62.964 63.100 -0.397 0.000 0.788 590 P CB 0.666 32.130 31.700 -0.395 0.000 0.949 591 G N 2.074 110.733 108.800 -0.234 0.000 2.513 591 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 591 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 591 G C 1.412 176.227 174.900 -0.142 0.000 1.160 591 G CA 0.751 45.761 45.100 -0.150 0.000 0.767 591 G HN 0.771 nan 8.290 nan 0.000 0.571 592 W N 0.012 121.264 121.300 -0.079 0.000 2.350 592 W HA -0.015 4.645 4.660 -0.000 0.000 0.289 592 W C 2.125 178.596 176.519 -0.080 0.000 1.215 592 W CA 1.150 58.449 57.345 -0.076 0.000 1.236 592 W CB -0.858 28.554 29.460 -0.081 0.000 1.130 592 W HN 0.298 nan 8.180 nan 0.000 0.541 593 M N 1.428 120.464 119.600 -0.941 0.000 2.288 593 M HA -0.132 4.348 4.480 -0.000 0.000 0.266 593 M C 2.371 178.432 176.300 -0.397 0.000 1.072 593 M CA 1.566 56.366 55.300 -0.833 0.000 1.132 593 M CB -0.237 31.587 32.600 -1.294 0.000 1.386 593 M HN -0.007 nan 8.290 nan 0.000 0.432 594 Q N -0.600 118.988 119.800 -0.353 0.000 2.291 594 Q HA -0.100 4.240 4.340 -0.000 0.000 0.206 594 Q C 1.605 177.520 176.000 -0.143 0.000 0.976 594 Q CA 1.554 57.219 55.803 -0.229 0.000 0.875 594 Q CB -0.021 28.595 28.738 -0.204 0.000 0.927 594 Q HN 0.463 nan 8.270 nan 0.000 0.450 595 S N 0.171 115.810 115.700 -0.101 0.000 2.562 595 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 595 S C 0.536 175.120 174.600 -0.026 0.000 0.975 595 S CA 0.144 58.318 58.200 -0.044 0.000 0.918 595 S CB 0.156 63.356 63.200 -0.000 0.000 0.772 595 S HN 0.201 nan 8.310 nan 0.000 0.531 596 L N 1.900 123.100 121.223 -0.039 0.000 2.360 596 L HA 0.575 4.915 4.340 -0.000 0.000 0.271 596 L C 0.303 177.145 176.870 -0.047 0.000 1.057 596 L CA -0.477 54.354 54.840 -0.016 0.000 0.803 596 L CB 1.394 43.465 42.059 0.021 0.000 1.207 596 L HN 0.137 nan 8.230 nan 0.000 0.445 597 S N 0.001 115.682 115.700 -0.030 0.000 2.625 597 S HA 0.870 5.340 4.470 -0.000 0.000 0.271 597 S C -0.092 174.492 174.600 -0.026 0.000 1.161 597 S CA -0.211 57.963 58.200 -0.044 0.000 0.820 597 S CB 1.563 64.736 63.200 -0.044 0.000 1.137 597 S HN 1.223 nan 8.310 nan 0.000 0.470 598 G N 1.869 110.650 108.800 -0.031 0.000 2.564 598 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.273 598 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.273 598 G C 1.047 175.948 174.900 0.002 0.000 1.242 598 G CA 1.354 46.447 45.100 -0.012 0.000 0.951 598 G HN 2.202 nan 8.290 nan 0.000 0.564 599 S N -1.490 114.218 115.700 0.013 0.000 2.419 599 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 599 S C 2.197 176.816 174.600 0.032 0.000 1.016 599 S CA 2.583 60.798 58.200 0.026 0.000 0.974 599 S CB -0.728 62.487 63.200 0.025 0.000 0.786 599 S HN 1.154 nan 8.310 nan 0.000 0.492 600 T N 2.627 117.198 114.554 0.028 0.000 2.777 600 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 600 T C 1.674 176.409 174.700 0.057 0.000 1.040 600 T CA 1.146 63.271 62.100 0.041 0.000 1.141 600 T CB -0.440 68.450 68.868 0.037 0.000 0.868 600 T HN 0.303 nan 8.240 nan 0.000 0.444 601 L N 0.701 121.944 121.223 0.033 0.000 2.056 601 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 601 L C 2.802 179.696 176.870 0.039 0.000 1.078 601 L CA 1.422 56.275 54.840 0.021 0.000 0.749 601 L CB -0.249 41.786 42.059 -0.040 0.000 0.901 601 L HN 0.127 nan 8.230 nan 0.000 0.433 602 R N 0.244 120.767 120.500 0.039 0.000 2.083 602 R HA -0.270 4.070 4.340 -0.000 0.000 0.237 602 R C 2.199 178.553 176.300 0.091 0.000 1.137 602 R CA 2.124 58.265 56.100 0.068 0.000 0.951 602 R CB -0.610 29.731 30.300 0.069 0.000 0.851 602 R HN 0.326 nan 8.270 nan 0.000 0.434 603 Q N -0.333 119.517 119.800 0.083 0.000 2.119 603 Q HA 0.091 4.431 4.340 -0.000 0.000 0.201 603 Q C 1.851 177.925 176.000 0.123 0.000 0.972 603 Q CA 1.995 57.853 55.803 0.090 0.000 0.847 603 Q CB -0.419 28.361 28.738 0.071 0.000 0.903 603 Q HN 0.417 nan 8.270 nan 0.000 0.433 604 A N 0.314 123.220 122.820 0.144 0.000 1.933 604 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 604 A C 2.127 179.855 177.584 0.241 0.000 1.175 604 A CA 1.598 53.769 52.037 0.222 0.000 0.628 604 A CB -0.681 18.502 19.000 0.305 0.000 0.814 604 A HN 0.596 nan 8.150 nan 0.000 0.444 605 M N -0.409 119.295 119.600 0.172 0.000 2.086 605 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 605 M C 1.943 178.366 176.300 0.205 0.000 1.067 605 M CA 1.904 57.312 55.300 0.180 0.000 1.116 605 M CB -0.325 32.365 32.600 0.150 0.000 1.348 605 M HN 0.419 nan 8.290 nan 0.000 0.407 606 I N 0.598 121.264 120.570 0.160 0.000 2.179 606 I HA -0.337 3.833 4.170 -0.000 0.000 0.242 606 I C 1.839 178.038 176.117 0.136 0.000 1.088 606 I CA 1.413 62.787 61.300 0.123 0.000 1.357 606 I CB -0.771 37.286 38.000 0.095 0.000 1.051 606 I HN 0.322 nan 8.210 nan 0.000 0.409 607 D N -0.352 120.155 120.400 0.177 0.000 2.144 607 D HA -0.245 4.395 4.640 -0.000 0.000 0.199 607 D C 1.990 178.487 176.300 0.328 0.000 0.984 607 D CA 1.494 55.623 54.000 0.216 0.000 0.834 607 D CB -0.413 40.521 40.800 0.223 0.000 0.955 607 D HN 0.444 nan 8.370 nan 0.000 0.465 608 H N 0.501 119.747 119.070 0.293 0.000 2.353 608 H HA 0.008 4.564 4.556 -0.000 0.000 0.300 608 H C 2.167 177.624 175.328 0.215 0.000 1.090 608 H CA 1.208 57.487 56.048 0.385 0.000 1.327 608 H CB -0.282 29.658 29.762 0.297 0.000 1.383 608 H HN 0.063 nan 8.280 nan 0.000 0.508 609 I N 0.181 120.796 120.570 0.074 0.000 2.179 609 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 609 I C 2.023 178.030 176.117 -0.184 0.000 1.088 609 I CA 1.251 62.487 61.300 -0.106 0.000 1.357 609 I CB -0.329 37.635 38.000 -0.060 0.000 1.051 609 I HN 0.367 nan 8.210 nan 0.000 0.409 610 N N 1.138 119.779 118.700 -0.099 0.000 2.120 610 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 610 N C 1.883 177.253 175.510 -0.233 0.000 1.024 610 N CA 1.662 54.635 53.050 -0.128 0.000 0.852 610 N CB -0.691 37.763 38.487 -0.055 0.000 1.003 610 N HN 0.437 nan 8.380 nan 0.000 0.424 611 G N 0.825 109.423 108.800 -0.337 0.000 2.421 611 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 611 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 611 G C 1.730 176.262 174.900 -0.612 0.000 1.171 611 G CA 0.824 45.408 45.100 -0.860 0.000 0.775 611 G HN 0.197 nan 8.290 nan 0.000 0.543 612 V N 0.948 120.635 119.914 -0.378 0.000 2.379 612 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 612 V C 2.867 178.892 176.094 -0.116 0.000 1.044 612 V CA 1.863 64.124 62.300 -0.066 0.000 1.036 612 V CB -0.387 31.399 31.823 -0.062 0.000 0.664 612 V HN 0.337 nan 8.190 nan 0.000 0.453 613 M N 0.271 119.702 119.600 -0.281 0.000 2.319 613 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 613 M C 2.232 178.453 176.300 -0.132 0.000 1.068 613 M CA 1.681 56.844 55.300 -0.228 0.000 1.118 613 M CB -0.696 31.685 32.600 -0.364 0.000 1.395 613 M HN 0.496 nan 8.290 nan 0.000 0.435 614 G N -0.819 107.865 108.800 -0.194 0.000 2.418 614 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 614 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 614 G C 1.183 175.942 174.900 -0.235 0.000 1.158 614 G CA 1.198 46.189 45.100 -0.182 0.000 0.771 614 G HN 0.454 nan 8.290 nan 0.000 0.545 615 H N -0.475 118.296 119.070 -0.499 0.000 2.353 615 H HA -0.036 4.520 4.556 -0.000 0.000 0.300 615 H C 1.277 176.158 175.328 -0.745 0.000 1.090 615 H CA 1.262 56.827 56.048 -0.805 0.000 1.327 615 H CB -0.117 28.623 29.762 -1.704 0.000 1.383 615 H HN 0.409 nan 8.280 nan 0.000 0.508 616 Y N 0.507 120.603 120.300 -0.340 0.000 2.571 616 Y HA 0.205 4.755 4.550 -0.000 0.000 0.275 616 Y C 0.655 176.480 175.900 -0.125 0.000 1.179 616 Y CA -0.402 57.531 58.100 -0.278 0.000 1.242 616 Y CB -0.154 38.295 38.460 -0.018 0.000 1.126 616 Y HN 0.006 nan 8.280 nan 0.000 0.524 617 K N 0.747 121.127 120.400 -0.033 0.000 2.473 617 K HA 0.093 4.412 4.320 -0.000 0.000 0.277 617 K C 1.300 177.906 176.600 0.010 0.000 1.052 617 K CA 1.293 57.582 56.287 0.003 0.000 1.114 617 K CB -0.241 32.227 32.500 -0.053 0.000 0.869 617 K HN 0.624 nan 8.250 nan 0.000 0.481 618 G N 3.728 112.563 108.800 0.058 0.000 2.184 618 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 618 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 618 G C 0.606 175.541 174.900 0.058 0.000 0.975 618 G CA 0.784 45.914 45.100 0.050 0.000 0.642 618 G HN 0.734 nan 8.290 nan 0.000 0.536 619 K N -0.711 119.727 120.400 0.064 0.000 2.360 619 K HA 0.344 4.664 4.320 -0.000 0.000 0.196 619 K C 0.539 177.194 176.600 0.091 0.000 1.049 619 K CA 0.037 56.374 56.287 0.085 0.000 1.049 619 K CB 0.731 33.207 32.500 -0.041 0.000 0.881 619 K HN 0.321 nan 8.250 nan 0.000 0.542 620 I N 0.715 121.307 120.570 0.037 0.000 2.377 620 I HA 0.188 4.358 4.170 -0.000 0.000 0.293 620 I C 1.089 177.163 176.117 -0.071 0.000 0.987 620 I CA -0.285 60.946 61.300 -0.114 0.000 1.185 620 I CB 1.230 38.994 38.000 -0.393 0.000 1.341 620 I HN -0.034 nan 8.210 nan 0.000 0.455 621 A N 5.971 128.725 122.820 -0.110 0.000 1.872 621 A HA 0.008 4.328 4.320 -0.000 0.000 0.214 621 A C 0.792 178.357 177.584 -0.033 0.000 1.187 621 A CA 1.019 53.024 52.037 -0.055 0.000 0.614 621 A CB 0.071 19.021 19.000 -0.083 0.000 0.826 621 A HN 0.778 nan 8.150 nan 0.000 0.442 622 Q N -2.953 116.778 119.800 -0.116 0.000 2.389 622 Q HA 0.482 4.822 4.340 -0.000 0.000 0.277 622 Q C -2.056 173.865 176.000 -0.131 0.000 1.082 622 Q CA -0.369 55.415 55.803 -0.032 0.000 0.810 622 Q CB 2.154 30.891 28.738 -0.002 0.000 1.374 622 Q HN 0.543 nan 8.270 nan 0.000 0.422 623 W N 1.187 122.514 121.300 0.045 0.000 2.656 623 W HA 0.315 4.975 4.660 -0.000 0.000 0.327 623 W C -0.765 175.774 176.519 0.033 0.000 1.041 623 W CA -0.459 56.904 57.345 0.029 0.000 1.229 623 W CB 1.707 31.176 29.460 0.015 0.000 1.397 623 W HN 0.439 nan 8.180 nan 0.000 0.479 624 D N 3.332 123.924 120.400 0.320 0.000 2.453 624 D HA 0.080 4.720 4.640 -0.000 0.000 0.223 624 D C 1.120 177.501 176.300 0.135 0.000 1.183 624 D CA 0.195 54.298 54.000 0.171 0.000 0.933 624 D CB 1.280 42.156 40.800 0.126 0.000 1.038 624 D HN 0.099 nan 8.370 nan 0.000 0.513 625 V N 1.867 121.803 119.914 0.038 0.000 2.270 625 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 625 V C 1.114 177.114 176.094 -0.157 0.000 1.043 625 V CA 1.044 63.230 62.300 -0.191 0.000 1.014 625 V CB 0.055 31.471 31.823 -0.678 0.000 0.645 625 V HN 0.262 nan 8.190 nan 0.000 0.447 626 V N 0.566 120.417 119.914 -0.104 0.000 2.555 626 V HA 0.498 4.618 4.120 -0.000 0.000 0.302 626 V C -0.720 175.386 176.094 0.019 0.000 1.038 626 V CA -0.675 61.678 62.300 0.090 0.000 0.887 626 V CB 1.763 33.712 31.823 0.210 0.000 0.991 626 V HN 0.485 nan 8.190 nan 0.000 0.434 627 N N 1.918 120.637 118.700 0.032 0.000 2.296 627 N HA 0.379 5.118 4.740 -0.000 0.000 0.294 627 N C -0.477 175.103 175.510 0.117 0.000 1.033 627 N CA -0.513 52.410 53.050 -0.212 0.000 0.839 627 N CB 1.443 39.520 38.487 -0.683 0.000 1.395 627 N HN 0.734 nan 8.380 nan 0.000 0.479 628 E N 1.172 121.419 120.200 0.078 0.000 2.210 628 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 628 E C -0.152 176.759 176.600 0.519 0.000 1.339 628 E CA 0.573 57.194 56.400 0.368 0.000 0.699 628 E CB -1.231 28.862 29.700 0.655 0.000 1.126 628 E HN 0.589 nan 8.360 nan 0.000 0.355 629 A N 0.095 123.282 122.820 0.612 0.000 2.178 629 A HA 0.203 4.523 4.320 -0.000 0.000 0.211 629 A C 0.307 178.022 177.584 0.218 0.000 1.157 629 A CA 0.276 52.630 52.037 0.530 0.000 0.780 629 A CB 0.303 19.621 19.000 0.529 0.000 0.828 629 A HN 0.236 nan 8.150 nan 0.000 0.476 630 F N -0.283 119.781 119.950 0.189 0.000 2.397 630 F HA 0.493 5.020 4.527 -0.000 0.000 0.331 630 F C 1.027 176.826 175.800 -0.002 0.000 1.090 630 F CA -0.606 57.435 58.000 0.069 0.000 1.065 630 F CB 1.489 40.513 39.000 0.041 0.000 1.184 630 F HN -0.037 nan 8.300 nan 0.000 0.499 631 S N 0.543 116.298 115.700 0.092 0.000 2.603 631 S HA 0.128 4.598 4.470 -0.000 0.000 0.268 631 S C 0.393 175.011 174.600 0.029 0.000 1.317 631 S CA -0.545 57.675 58.200 0.033 0.000 1.012 631 S CB 0.445 63.646 63.200 0.001 0.000 0.926 631 S HN 0.620 nan 8.310 nan 0.000 0.539 632 D N 0.900 121.303 120.400 0.005 0.000 2.395 632 D HA 0.064 4.704 4.640 -0.000 0.000 0.213 632 D C 0.563 176.844 176.300 -0.031 0.000 1.110 632 D CA 0.122 54.107 54.000 -0.025 0.000 0.835 632 D CB 0.127 40.937 40.800 0.016 0.000 0.965 632 D HN 0.741 nan 8.370 nan 0.000 0.505 633 D N 0.026 120.418 120.400 -0.013 0.000 2.378 633 D HA -0.006 4.634 4.640 -0.000 0.000 0.227 633 D C 1.576 177.866 176.300 -0.016 0.000 1.012 633 D CA 0.714 54.706 54.000 -0.014 0.000 0.905 633 D CB -0.220 40.575 40.800 -0.008 0.000 0.895 633 D HN 0.183 nan 8.370 nan 0.000 0.532 634 G N -0.058 108.729 108.800 -0.022 0.000 2.176 634 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.253 634 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.253 634 G C 1.124 176.030 174.900 0.009 0.000 0.979 634 G CA 0.822 45.912 45.100 -0.016 0.000 0.641 634 G HN 0.697 nan 8.290 nan 0.000 0.530 635 S N -0.472 115.239 115.700 0.019 0.000 2.501 635 S HA 0.403 4.873 4.470 -0.000 0.000 0.220 635 S C 2.308 176.940 174.600 0.054 0.000 0.997 635 S CA 1.435 59.652 58.200 0.028 0.000 0.919 635 S CB 0.186 63.398 63.200 0.021 0.000 0.778 635 S HN 2.341 nan 8.310 nan 0.000 0.523 636 G N 0.626 109.476 108.800 0.083 0.000 2.148 636 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.254 636 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.254 636 G C 0.402 175.456 174.900 0.256 0.000 0.981 636 G CA 0.087 45.277 45.100 0.150 0.000 0.670 636 G HN 1.072 nan 8.290 nan 0.000 0.528 637 G N -1.072 107.813 108.800 0.142 0.000 2.557 637 G HA2 0.622 4.582 3.960 -0.000 0.000 0.302 637 G HA3 0.622 4.582 3.960 -0.000 0.000 0.302 637 G C 0.200 175.003 174.900 -0.161 0.000 1.311 637 G CA -0.885 44.236 45.100 0.035 0.000 1.030 637 G HN 0.317 nan 8.290 nan 0.000 0.509 638 R N 0.026 120.328 120.500 -0.330 0.000 2.643 638 R HA 0.121 4.461 4.340 -0.000 0.000 0.270 638 R C 0.669 176.856 176.300 -0.189 0.000 1.061 638 R CA -0.326 55.514 56.100 -0.434 0.000 1.107 638 R CB 0.626 30.768 30.300 -0.264 0.000 0.999 638 R HN 0.615 nan 8.270 nan 0.000 0.460 639 R N 1.476 121.889 120.500 -0.146 0.000 2.490 639 R HA -0.020 4.320 4.340 -0.000 0.000 0.280 639 R C -0.659 175.585 176.300 -0.093 0.000 1.077 639 R CA -0.270 55.772 56.100 -0.097 0.000 1.065 639 R CB 0.524 30.757 30.300 -0.112 0.000 1.003 639 R HN 0.431 nan 8.270 nan 0.000 0.470 640 D N 2.043 122.385 120.400 -0.098 0.000 2.316 640 D HA 0.166 4.806 4.640 -0.000 0.000 0.245 640 D C -1.125 175.100 176.300 -0.124 0.000 1.171 640 D CA 0.234 54.178 54.000 -0.094 0.000 0.856 640 D CB 0.833 41.590 40.800 -0.071 0.000 1.090 640 D HN 0.580 nan 8.370 nan 0.000 0.476 641 S N 2.425 118.037 115.700 -0.145 0.000 2.656 641 S HA 0.290 4.760 4.470 -0.000 0.000 0.273 641 S C 0.875 175.355 174.600 -0.200 0.000 1.168 641 S CA -0.831 57.272 58.200 -0.161 0.000 0.817 641 S CB 0.830 63.931 63.200 -0.165 0.000 1.146 641 S HN 0.370 nan 8.310 nan 0.000 0.475 642 N N 1.098 119.681 118.700 -0.196 0.000 2.223 642 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 642 N C 1.544 176.872 175.510 -0.303 0.000 1.016 642 N CA 1.481 54.409 53.050 -0.205 0.000 0.863 642 N CB -1.050 37.332 38.487 -0.175 0.000 0.983 642 N HN 0.635 nan 8.380 nan 0.000 0.429 643 L N -0.316 120.624 121.223 -0.472 0.000 2.027 643 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 643 L C 2.743 178.989 176.870 -1.040 0.000 1.074 643 L CA 1.403 55.743 54.840 -0.834 0.000 0.745 643 L CB -0.570 40.679 42.059 -1.351 0.000 0.898 643 L HN 0.211 nan 8.230 nan 0.000 0.433 644 Q N 0.636 119.921 119.800 -0.859 0.000 2.170 644 Q HA -0.174 4.166 4.340 -0.000 0.000 0.203 644 Q C 2.093 177.990 176.000 -0.172 0.000 0.976 644 Q CA 1.536 57.097 55.803 -0.402 0.000 0.858 644 Q CB -0.081 28.602 28.738 -0.092 0.000 0.907 644 Q HN 0.301 nan 8.270 nan 0.000 0.433 645 R N -0.545 119.842 120.500 -0.189 0.000 2.316 645 R HA -0.009 4.331 4.340 -0.000 0.000 0.202 645 R C 1.880 178.137 176.300 -0.071 0.000 1.029 645 R CA 1.275 57.315 56.100 -0.099 0.000 1.018 645 R CB -0.152 30.090 30.300 -0.096 0.000 0.888 645 R HN 0.475 nan 8.270 nan 0.000 0.471 646 T N -2.625 111.870 114.554 -0.097 0.000 3.055 646 T HA 0.169 4.519 4.350 -0.000 0.000 0.265 646 T C 0.869 175.592 174.700 0.038 0.000 1.111 646 T CA 0.555 62.636 62.100 -0.031 0.000 1.118 646 T CB 0.573 69.421 68.868 -0.034 0.000 0.909 646 T HN 0.308 nan 8.240 nan 0.000 0.501 647 G N 0.549 109.393 108.800 0.074 0.000 2.306 647 G HA2 0.099 4.059 3.960 -0.000 0.000 0.340 647 G HA3 0.099 4.059 3.960 -0.000 0.000 0.340 647 G C -0.167 174.887 174.900 0.257 0.000 1.630 647 G CA -0.320 44.860 45.100 0.132 0.000 0.937 647 G HN 0.046 nan 8.290 nan 0.000 0.693 648 N N 0.290 119.109 118.700 0.200 0.000 2.348 648 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 648 N C 1.823 177.456 175.510 0.205 0.000 1.019 648 N CA 1.979 55.159 53.050 0.217 0.000 0.880 648 N CB 0.172 38.727 38.487 0.114 0.000 0.965 648 N HN 0.647 nan 8.380 nan 0.000 0.437 649 D N -0.346 120.166 120.400 0.186 0.000 2.349 649 D HA -0.130 4.510 4.640 -0.000 0.000 0.224 649 D C 1.763 178.163 176.300 0.168 0.000 1.029 649 D CA -0.008 54.074 54.000 0.137 0.000 0.879 649 D CB -0.948 39.913 40.800 0.102 0.000 0.906 649 D HN 0.579 nan 8.370 nan 0.000 0.528 650 W N 1.521 122.875 121.300 0.090 0.000 2.342 650 W HA -0.140 4.520 4.660 -0.000 0.000 0.297 650 W C 1.496 178.101 176.519 0.143 0.000 1.213 650 W CA 0.238 57.640 57.345 0.095 0.000 1.251 650 W CB -1.045 28.462 29.460 0.078 0.000 1.136 650 W HN -0.074 nan 8.180 nan 0.000 0.526 651 I N 1.311 121.521 120.570 -0.600 0.000 2.202 651 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 651 I C 2.794 178.958 176.117 0.079 0.000 1.091 651 I CA 2.160 63.182 61.300 -0.464 0.000 1.368 651 I CB -0.755 36.989 38.000 -0.426 0.000 1.058 651 I HN 0.034 nan 8.210 nan 0.000 0.410 652 E N 1.147 121.360 120.200 0.022 0.000 2.058 652 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 652 E C 2.322 178.898 176.600 -0.040 0.000 0.997 652 E CA 1.640 57.922 56.400 -0.196 0.000 0.801 652 E CB 0.127 29.669 29.700 -0.262 0.000 0.746 652 E HN 0.258 nan 8.360 nan 0.000 0.450 653 V N 1.280 121.209 119.914 0.025 0.000 2.343 653 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 653 V C 2.471 178.599 176.094 0.057 0.000 1.051 653 V CA 1.798 64.130 62.300 0.053 0.000 1.036 653 V CB -0.829 31.055 31.823 0.101 0.000 0.654 653 V HN 0.448 nan 8.190 nan 0.000 0.451 654 A N -0.456 122.402 122.820 0.064 0.000 1.877 654 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 654 A C 2.042 179.558 177.584 -0.113 0.000 1.186 654 A CA 1.916 53.943 52.037 -0.017 0.000 0.620 654 A CB -0.713 18.255 19.000 -0.054 0.000 0.822 654 A HN 0.463 nan 8.150 nan 0.000 0.443 655 F N -0.221 119.713 119.950 -0.028 0.000 2.113 655 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 655 F C 2.604 178.371 175.800 -0.055 0.000 1.103 655 F CA 1.729 59.706 58.000 -0.038 0.000 1.248 655 F CB -0.311 38.643 39.000 -0.077 0.000 0.999 655 F HN 0.091 nan 8.300 nan 0.000 0.475 656 R N -0.528 120.028 120.500 0.094 0.000 2.081 656 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 656 R C 2.090 178.402 176.300 0.019 0.000 1.131 656 R CA 1.922 58.041 56.100 0.032 0.000 0.960 656 R CB -1.005 29.292 30.300 -0.004 0.000 0.856 656 R HN 0.223 nan 8.270 nan 0.000 0.436 657 T N 0.860 115.418 114.554 0.008 0.000 2.746 657 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 657 T C 1.955 176.632 174.700 -0.038 0.000 1.039 657 T CA 1.430 63.524 62.100 -0.010 0.000 1.142 657 T CB -0.242 68.623 68.868 -0.005 0.000 0.866 657 T HN 0.385 nan 8.240 nan 0.000 0.444 658 A N 1.803 124.587 122.820 -0.060 0.000 1.902 658 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 658 A C 2.258 179.822 177.584 -0.033 0.000 1.181 658 A CA 1.980 53.959 52.037 -0.097 0.000 0.623 658 A CB -0.561 18.353 19.000 -0.143 0.000 0.818 658 A HN 0.341 nan 8.150 nan 0.000 0.443 659 R N 0.247 120.762 120.500 0.023 0.000 2.105 659 R HA -0.056 4.284 4.340 -0.000 0.000 0.239 659 R C 2.033 178.344 176.300 0.017 0.000 1.135 659 R CA 1.986 58.111 56.100 0.042 0.000 0.967 659 R CB -0.759 29.576 30.300 0.058 0.000 0.861 659 R HN 0.397 nan 8.270 nan 0.000 0.442 660 A N -0.098 122.723 122.820 0.002 0.000 1.929 660 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 660 A C 2.323 179.897 177.584 -0.018 0.000 1.176 660 A CA 1.357 53.391 52.037 -0.005 0.000 0.628 660 A CB -0.822 18.174 19.000 -0.007 0.000 0.816 660 A HN 0.474 nan 8.150 nan 0.000 0.444 661 A N -1.050 121.747 122.820 -0.038 0.000 1.873 661 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 661 A C 0.933 178.491 177.584 -0.042 0.000 1.186 661 A CA 1.704 53.706 52.037 -0.059 0.000 0.616 661 A CB -0.073 18.862 19.000 -0.108 0.000 0.823 661 A HN 0.386 nan 8.150 nan 0.000 0.442 662 D N -2.140 118.247 120.400 -0.022 0.000 2.328 662 D HA 0.244 4.884 4.640 -0.000 0.000 0.243 662 D C -2.405 173.924 176.300 0.048 0.000 1.324 662 D CA -1.508 52.505 54.000 0.020 0.000 0.966 662 D CB 1.347 42.179 40.800 0.054 0.000 1.324 662 D HN 0.038 nan 8.370 nan 0.000 0.549 663 P HA 0.040 nan 4.420 nan 0.000 0.242 663 P C 0.851 178.190 177.300 0.064 0.000 1.197 663 P CA 0.214 63.344 63.100 0.050 0.000 0.765 663 P CB 0.441 32.161 31.700 0.034 0.000 0.936 664 A N -0.200 122.662 122.820 0.070 0.000 2.132 664 A HA 0.409 4.729 4.320 -0.000 0.000 0.213 664 A C 1.427 179.070 177.584 0.099 0.000 1.154 664 A CA 0.371 52.453 52.037 0.074 0.000 0.753 664 A CB -0.531 18.507 19.000 0.063 0.000 0.826 664 A HN 0.293 nan 8.150 nan 0.000 0.469 665 A N 0.301 123.204 122.820 0.139 0.000 2.304 665 A HA 0.540 4.860 4.320 -0.000 0.000 0.301 665 A C -0.012 177.679 177.584 0.179 0.000 1.132 665 A CA -0.535 51.612 52.037 0.184 0.000 0.819 665 A CB 0.255 19.458 19.000 0.338 0.000 1.094 665 A HN 0.353 nan 8.150 nan 0.000 0.492 666 K N 1.415 121.914 120.400 0.165 0.000 2.322 666 K HA 0.367 4.687 4.320 -0.000 0.000 0.283 666 K C -1.033 175.705 176.600 0.229 0.000 1.042 666 K CA 0.202 56.590 56.287 0.168 0.000 0.958 666 K CB 0.586 33.170 32.500 0.141 0.000 0.984 666 K HN 0.565 nan 8.250 nan 0.000 0.473 667 L N 4.242 125.622 121.223 0.261 0.000 2.265 667 L HA 0.335 4.675 4.340 -0.000 0.000 0.289 667 L C -0.417 176.719 176.870 0.443 0.000 1.033 667 L CA -0.905 54.157 54.840 0.369 0.000 0.814 667 L CB 0.876 43.204 42.059 0.448 0.000 1.203 667 L HN 0.661 nan 8.230 nan 0.000 0.423 668 c N 1.877 120.722 118.600 0.409 0.000 2.454 668 c HA 0.502 5.072 4.570 -0.000 0.000 0.336 668 c C -0.158 174.220 174.090 0.480 0.000 1.189 668 c CA -0.902 55.643 56.329 0.360 0.000 1.877 668 c CB 1.476 44.098 42.510 0.187 0.000 2.348 668 c HN 0.619 nan 8.230 nan 0.000 0.508 669 Y N 2.194 122.675 120.300 0.301 0.000 2.360 669 Y HA 0.571 5.121 4.550 -0.000 0.000 0.337 669 Y C -0.273 175.647 175.900 0.034 0.000 1.039 669 Y CA -0.439 57.825 58.100 0.274 0.000 1.109 669 Y CB 0.741 39.304 38.460 0.173 0.000 1.201 669 Y HN 0.790 nan 8.280 nan 0.000 0.458 670 N N 3.981 122.165 118.700 -0.860 0.000 2.258 670 N HA 0.415 5.155 4.740 -0.000 0.000 0.299 670 N C -2.139 172.928 175.510 -0.738 0.000 1.047 670 N CA -0.373 52.303 53.050 -0.624 0.000 0.814 670 N CB 1.449 39.745 38.487 -0.318 0.000 1.413 670 N HN 0.765 nan 8.380 nan 0.000 0.478 671 D N 0.265 120.385 120.400 -0.466 0.000 2.639 671 D HA 0.270 4.910 4.640 -0.000 0.000 0.271 671 D C -1.408 174.847 176.300 -0.074 0.000 1.254 671 D CA -0.234 53.625 54.000 -0.235 0.000 0.810 671 D CB 1.056 41.748 40.800 -0.179 0.000 1.351 671 D HN 0.418 nan 8.370 nan 0.000 0.427 672 Y N -0.621 119.671 120.300 -0.013 0.000 2.587 672 Y HA 0.513 5.063 4.550 -0.000 0.000 0.337 672 Y C 0.572 176.525 175.900 0.088 0.000 1.065 672 Y CA -0.969 57.149 58.100 0.031 0.000 1.126 672 Y CB 0.510 39.030 38.460 0.099 0.000 1.279 672 Y HN 0.564 nan 8.280 nan 0.000 0.489 673 N N 0.781 119.622 118.700 0.235 0.000 2.735 673 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 673 N C -0.285 175.439 175.510 0.356 0.000 1.083 673 N CA 0.925 54.106 53.050 0.218 0.000 0.703 673 N CB -1.050 37.374 38.487 -0.104 0.000 1.005 673 N HN 0.791 nan 8.380 nan 0.000 0.550 674 I N -4.123 116.675 120.570 0.380 0.000 3.817 674 I HA 0.285 4.455 4.170 -0.000 0.000 0.325 674 I C 0.674 177.111 176.117 0.534 0.000 1.550 674 I CA -0.482 61.048 61.300 0.384 0.000 1.100 674 I CB 0.590 38.680 38.000 0.151 0.000 1.216 674 I HN -0.159 nan 8.210 nan 0.000 0.481 675 E N 1.147 121.625 120.200 0.462 0.000 2.140 675 E HA 0.081 4.431 4.350 -0.000 0.000 0.191 675 E C 0.746 177.430 176.600 0.139 0.000 0.973 675 E CA 0.343 56.919 56.400 0.292 0.000 0.829 675 E CB 0.048 29.680 29.700 -0.113 0.000 0.781 675 E HN 0.368 nan 8.360 nan 0.000 0.466 676 N N 0.783 119.297 118.700 -0.310 0.000 2.430 676 N HA -0.076 4.664 4.740 -0.000 0.000 0.265 676 N C 0.166 175.484 175.510 -0.321 0.000 1.100 676 N CA -0.071 52.567 53.050 -0.687 0.000 0.961 676 N CB 0.355 37.630 38.487 -2.020 0.000 1.075 676 N HN 0.268 nan 8.380 nan 0.000 0.478 677 W N 3.744 124.917 121.300 -0.213 0.000 2.350 677 W HA -0.209 4.451 4.660 -0.000 0.000 0.289 677 W C 1.279 177.742 176.519 -0.093 0.000 1.215 677 W CA 2.043 59.337 57.345 -0.086 0.000 1.236 677 W CB -0.065 29.342 29.460 -0.088 0.000 1.130 677 W HN 0.643 nan 8.180 nan 0.000 0.541 678 T N -2.325 112.045 114.554 -0.306 0.000 3.035 678 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 678 T C 0.598 175.218 174.700 -0.133 0.000 1.109 678 T CA 0.200 62.145 62.100 -0.259 0.000 1.119 678 T CB -0.681 68.109 68.868 -0.129 0.000 0.900 678 T HN -0.055 nan 8.240 nan 0.000 0.503 679 W N 1.295 122.502 121.300 -0.156 0.000 2.190 679 W HA 0.659 5.319 4.660 -0.000 0.000 0.330 679 W C 1.596 178.012 176.519 -0.171 0.000 1.299 679 W CA -1.414 55.863 57.345 -0.113 0.000 1.215 679 W CB 0.158 29.590 29.460 -0.047 0.000 1.147 679 W HN 0.239 nan 8.180 nan 0.000 0.563 680 A N 2.822 125.712 122.820 0.116 0.000 1.972 680 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 680 A C 2.093 179.687 177.584 0.017 0.000 1.169 680 A CA 1.727 53.774 52.037 0.017 0.000 0.635 680 A CB -0.445 18.572 19.000 0.028 0.000 0.810 680 A HN 0.698 nan 8.150 nan 0.000 0.446 681 K N -0.746 119.689 120.400 0.059 0.000 2.026 681 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 681 K C 2.030 178.613 176.600 -0.027 0.000 1.048 681 K CA 1.867 58.175 56.287 0.035 0.000 0.929 681 K CB -0.348 32.167 32.500 0.024 0.000 0.713 681 K HN 0.448 nan 8.250 nan 0.000 0.439 682 T N 1.281 115.877 114.554 0.070 0.000 2.684 682 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 682 T C 1.813 176.504 174.700 -0.015 0.000 1.036 682 T CA 1.601 63.761 62.100 0.100 0.000 1.148 682 T CB -0.185 68.746 68.868 0.104 0.000 0.863 682 T HN 0.392 nan 8.240 nan 0.000 0.436 683 Q N 0.064 119.723 119.800 -0.235 0.000 2.172 683 Q HA 0.040 4.380 4.340 -0.000 0.000 0.200 683 Q C 2.746 178.688 176.000 -0.095 0.000 0.964 683 Q CA 1.031 56.668 55.803 -0.278 0.000 0.855 683 Q CB -0.318 28.184 28.738 -0.394 0.000 0.918 683 Q HN 0.606 nan 8.270 nan 0.000 0.444 684 G N 0.141 108.870 108.800 -0.119 0.000 2.408 684 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 684 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 684 G C 1.464 176.099 174.900 -0.441 0.000 1.150 684 G CA 0.670 45.703 45.100 -0.113 0.000 0.776 684 G HN 0.195 nan 8.290 nan 0.000 0.542 685 V N -0.200 119.326 119.914 -0.647 0.000 2.453 685 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 685 V C 2.235 178.248 176.094 -0.135 0.000 1.048 685 V CA 1.572 63.479 62.300 -0.654 0.000 1.049 685 V CB -0.676 30.919 31.823 -0.379 0.000 0.672 685 V HN 0.483 nan 8.190 nan 0.000 0.457 686 Y N 1.931 122.196 120.300 -0.058 0.000 2.128 686 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 686 Y C 2.547 178.301 175.900 -0.243 0.000 1.154 686 Y CA 2.139 60.052 58.100 -0.312 0.000 1.149 686 Y CB -0.317 37.925 38.460 -0.363 0.000 0.976 686 Y HN 0.268 nan 8.280 nan 0.000 0.505 687 N N 0.193 118.844 118.700 -0.082 0.000 2.166 687 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 687 N C 2.013 177.374 175.510 -0.248 0.000 1.019 687 N CA 1.691 54.667 53.050 -0.123 0.000 0.856 687 N CB -0.492 37.996 38.487 0.002 0.000 0.993 687 N HN 0.553 nan 8.380 nan 0.000 0.426 688 M N 0.531 119.946 119.600 -0.309 0.000 2.099 688 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 688 M C 1.665 177.529 176.300 -0.726 0.000 1.067 688 M CA 1.309 56.303 55.300 -0.510 0.000 1.124 688 M CB 0.036 32.312 32.600 -0.540 0.000 1.353 688 M HN -0.139 nan 8.290 nan 0.000 0.410 689 V N 0.676 120.251 119.914 -0.565 0.000 2.343 689 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 689 V C 2.505 178.405 176.094 -0.324 0.000 1.051 689 V CA 2.284 64.335 62.300 -0.416 0.000 1.036 689 V CB -1.076 30.622 31.823 -0.209 0.000 0.654 689 V HN 0.564 nan 8.190 nan 0.000 0.451 690 R N 0.366 120.601 120.500 -0.440 0.000 2.083 690 R HA -0.256 4.084 4.340 -0.000 0.000 0.237 690 R C 2.156 178.362 176.300 -0.157 0.000 1.137 690 R CA 2.425 58.320 56.100 -0.343 0.000 0.951 690 R CB -0.519 29.534 30.300 -0.411 0.000 0.851 690 R HN 0.625 nan 8.270 nan 0.000 0.434 691 D N -0.479 119.838 120.400 -0.138 0.000 2.104 691 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 691 D C 1.685 178.069 176.300 0.139 0.000 0.994 691 D CA 1.350 55.345 54.000 -0.009 0.000 0.830 691 D CB -0.114 40.679 40.800 -0.011 0.000 0.959 691 D HN 0.181 nan 8.370 nan 0.000 0.452 692 F N 1.021 120.889 119.950 -0.137 0.000 2.095 692 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 692 F C 2.318 178.045 175.800 -0.120 0.000 1.104 692 F CA 0.943 58.857 58.000 -0.144 0.000 1.232 692 F CB -0.726 38.141 39.000 -0.221 0.000 0.987 692 F HN 0.010 nan 8.300 nan 0.000 0.475 693 K N 0.637 121.083 120.400 0.078 0.000 2.148 693 K HA -0.174 4.146 4.320 -0.000 0.000 0.204 693 K C 1.930 178.532 176.600 0.002 0.000 1.050 693 K CA 1.376 57.670 56.287 0.011 0.000 0.942 693 K CB -0.869 31.616 32.500 -0.025 0.000 0.724 693 K HN 0.561 nan 8.250 nan 0.000 0.446 694 Q N 0.164 119.966 119.800 0.003 0.000 2.187 694 Q HA -0.010 4.330 4.340 -0.000 0.000 0.199 694 Q C 1.485 177.488 176.000 0.005 0.000 0.957 694 Q CA 0.924 56.727 55.803 0.000 0.000 0.857 694 Q CB -0.080 28.656 28.738 -0.003 0.000 0.929 694 Q HN 0.130 nan 8.270 nan 0.000 0.453 695 R N 0.087 120.595 120.500 0.013 0.000 2.334 695 R HA 0.165 4.505 4.340 -0.000 0.000 0.216 695 R C 0.519 176.804 176.300 -0.026 0.000 0.905 695 R CA 0.449 56.548 56.100 -0.001 0.000 1.064 695 R CB 0.603 30.907 30.300 0.008 0.000 1.046 695 R HN 0.540 nan 8.270 nan 0.000 0.508 696 G N 1.195 109.979 108.800 -0.026 0.000 2.143 696 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 696 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 696 G C 0.200 175.053 174.900 -0.078 0.000 0.991 696 G CA 0.039 45.116 45.100 -0.038 0.000 0.689 696 G HN 0.146 nan 8.290 nan 0.000 0.522 697 V N 2.682 122.512 119.914 -0.140 0.000 2.521 697 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 697 V C -0.930 175.048 176.094 -0.193 0.000 1.034 697 V CA -0.735 61.401 62.300 -0.275 0.000 1.045 697 V CB 1.091 32.487 31.823 -0.711 0.000 0.974 697 V HN 0.314 nan 8.190 nan 0.000 0.480 698 P HA 0.324 nan 4.420 nan 0.000 0.275 698 P C -0.675 176.600 177.300 -0.043 0.000 1.276 698 P CA 0.248 63.330 63.100 -0.031 0.000 0.782 698 P CB 0.903 32.625 31.700 0.037 0.000 0.851 699 I N 2.951 123.478 120.570 -0.072 0.000 2.610 699 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 699 I C -0.155 175.976 176.117 0.024 0.000 1.163 699 I CA -0.569 60.658 61.300 -0.121 0.000 1.044 699 I CB 2.403 40.184 38.000 -0.364 0.000 1.251 699 I HN 0.080 nan 8.210 nan 0.000 0.424 700 D N 5.761 126.227 120.400 0.109 0.000 2.423 700 D HA 0.181 4.821 4.640 -0.000 0.000 0.212 700 D C -0.033 176.341 176.300 0.123 0.000 1.060 700 D CA 0.518 54.585 54.000 0.112 0.000 0.872 700 D CB 0.692 41.571 40.800 0.131 0.000 1.012 700 D HN 0.581 nan 8.370 nan 0.000 0.503 701 c N -0.823 117.865 118.600 0.147 0.000 3.288 701 c HA 0.786 5.356 4.570 -0.000 0.000 0.318 701 c C -0.639 173.531 174.090 0.132 0.000 1.356 701 c CA -0.995 55.421 56.329 0.145 0.000 1.359 701 c CB 1.677 44.276 42.510 0.150 0.000 1.688 701 c HN -0.105 nan 8.230 nan 0.000 0.467 702 V N 1.335 121.299 119.914 0.082 0.000 2.483 702 V HA 0.766 4.886 4.120 -0.000 0.000 0.297 702 V C 0.601 176.576 176.094 -0.198 0.000 1.027 702 V CA 0.184 62.429 62.300 -0.091 0.000 0.855 702 V CB 1.683 33.346 31.823 -0.266 0.000 0.995 702 V HN 1.352 nan 8.190 nan 0.000 0.424 703 G N 3.491 112.131 108.800 -0.267 0.000 2.322 703 G HA2 0.622 4.582 3.960 -0.000 0.000 0.309 703 G HA3 0.622 4.582 3.960 -0.000 0.000 0.309 703 G C -1.050 173.606 174.900 -0.407 0.000 1.121 703 G CA -0.256 44.727 45.100 -0.194 0.000 0.886 703 G HN 0.436 nan 8.290 nan 0.000 0.447 704 F N 1.480 121.395 119.950 -0.057 0.000 2.334 704 F HA 0.284 4.811 4.527 -0.000 0.000 0.367 704 F C 1.704 177.417 175.800 -0.145 0.000 1.115 704 F CA -0.616 57.356 58.000 -0.046 0.000 1.116 704 F CB 1.823 40.910 39.000 0.144 0.000 1.230 704 F HN 0.542 nan 8.300 nan 0.000 0.484 705 Q N 1.322 121.045 119.800 -0.128 0.000 2.112 705 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 705 Q C 0.709 176.391 176.000 -0.531 0.000 0.987 705 Q CA 1.711 57.302 55.803 -0.353 0.000 0.858 705 Q CB -0.156 28.412 28.738 -0.283 0.000 0.905 705 Q HN 0.783 nan 8.270 nan 0.000 0.420 706 S N 0.127 115.538 115.700 -0.482 0.000 3.783 706 S HA -0.113 4.357 4.470 -0.000 0.000 0.360 706 S C -0.822 173.156 174.600 -1.037 0.000 1.006 706 S CA 0.067 57.722 58.200 -0.907 0.000 1.115 706 S CB -1.525 61.344 63.200 -0.552 0.000 0.893 706 S HN 0.406 nan 8.310 nan 0.000 0.475 707 H N 0.618 119.378 119.070 -0.516 0.000 2.872 707 H HA 0.365 4.921 4.556 -0.000 0.000 0.273 707 H C 0.050 175.239 175.328 -0.232 0.000 1.205 707 H CA -0.015 55.900 56.048 -0.223 0.000 1.342 707 H CB -0.151 29.620 29.762 0.015 0.000 1.469 707 H HN 0.267 nan 8.280 nan 0.000 0.487 708 F N 2.902 122.939 119.950 0.145 0.000 2.399 708 F HA 0.224 4.751 4.527 -0.000 0.000 0.334 708 F C 0.790 176.645 175.800 0.092 0.000 1.097 708 F CA -0.692 57.373 58.000 0.109 0.000 1.076 708 F CB 1.203 40.236 39.000 0.055 0.000 1.162 708 F HN 0.565 nan 8.300 nan 0.000 0.495 709 N N -1.909 116.970 118.700 0.298 0.000 3.378 709 N HA 0.215 4.955 4.740 -0.000 0.000 0.294 709 N C -0.188 175.410 175.510 0.147 0.000 1.544 709 N CA -0.661 52.490 53.050 0.169 0.000 0.872 709 N CB 0.401 38.947 38.487 0.099 0.000 1.670 709 N HN 0.131 nan 8.380 nan 0.000 0.551 710 S N -1.366 114.391 115.700 0.096 0.000 2.383 710 S HA -0.015 4.455 4.470 -0.000 0.000 0.229 710 S C 1.601 176.256 174.600 0.091 0.000 1.030 710 S CA 1.663 59.913 58.200 0.082 0.000 1.002 710 S CB -0.983 62.250 63.200 0.054 0.000 0.829 710 S HN 0.730 nan 8.310 nan 0.000 0.467 711 G N -0.730 108.120 108.800 0.084 0.000 2.511 711 G HA2 0.042 4.002 3.960 -0.000 0.000 0.217 711 G HA3 0.042 4.002 3.960 -0.000 0.000 0.217 711 G C 0.569 175.541 174.900 0.121 0.000 1.133 711 G CA 0.592 45.739 45.100 0.078 0.000 0.792 711 G HN 0.474 nan 8.290 nan 0.000 0.539 712 S N 1.353 117.164 115.700 0.185 0.000 2.317 712 S HA 0.440 4.910 4.470 -0.000 0.000 0.144 712 S C -2.794 172.059 174.600 0.421 0.000 1.660 712 S CA -1.131 57.257 58.200 0.314 0.000 1.273 712 S CB 1.213 64.561 63.200 0.246 0.000 1.330 712 S HN 0.064 nan 8.310 nan 0.000 0.395 713 P HA 0.123 nan 4.420 nan 0.000 0.274 713 P C -0.465 176.870 177.300 0.058 0.000 1.231 713 P CA -0.368 62.851 63.100 0.198 0.000 0.790 713 P CB 0.400 32.166 31.700 0.109 0.000 0.951 714 Y N 2.715 122.757 120.300 -0.431 0.000 2.597 714 Y HA 0.146 4.696 4.550 -0.000 0.000 0.336 714 Y C 0.060 175.714 175.900 -0.410 0.000 1.216 714 Y CA 0.385 57.910 58.100 -0.958 0.000 1.463 714 Y CB 0.250 37.995 38.460 -1.192 0.000 1.303 714 Y HN 0.353 nan 8.280 nan 0.000 0.576 715 N N 2.362 120.315 118.700 -1.245 0.000 2.249 715 N HA 0.093 4.833 4.740 -0.000 0.000 0.296 715 N C 0.191 175.052 175.510 -1.082 0.000 1.051 715 N CA 0.186 52.718 53.050 -0.864 0.000 0.815 715 N CB 2.081 40.270 38.487 -0.497 0.000 1.487 715 N HN 0.813 nan 8.380 nan 0.000 0.475 716 S N 2.220 117.552 115.700 -0.614 0.000 2.442 716 S HA -0.207 4.263 4.470 -0.000 0.000 0.236 716 S C 1.207 175.703 174.600 -0.174 0.000 1.007 716 S CA 1.249 59.271 58.200 -0.296 0.000 0.965 716 S CB -0.513 62.640 63.200 -0.078 0.000 0.773 716 S HN 0.778 nan 8.310 nan 0.000 0.504 717 N N 1.110 119.700 118.700 -0.183 0.000 2.571 717 N HA -0.059 4.681 4.740 -0.000 0.000 0.189 717 N C 0.993 176.496 175.510 -0.013 0.000 1.154 717 N CA 0.331 53.327 53.050 -0.090 0.000 0.907 717 N CB -0.991 37.460 38.487 -0.060 0.000 0.977 717 N HN 0.415 nan 8.380 nan 0.000 0.449 718 F N 1.761 121.573 119.950 -0.231 0.000 2.202 718 F HA -0.001 4.526 4.527 0.000 0.000 0.301 718 F C 2.282 178.018 175.800 -0.108 0.000 1.082 718 F CA 0.948 58.858 58.000 -0.149 0.000 1.313 718 F CB -0.328 38.602 39.000 -0.118 0.000 1.024 718 F HN 0.110 nan 8.300 nan 0.000 0.495 719 R N -0.183 120.229 120.500 -0.147 0.000 2.096 719 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 719 R C 2.302 178.463 176.300 -0.231 0.000 1.127 719 R CA 1.953 57.902 56.100 -0.252 0.000 0.968 719 R CB -0.540 29.684 30.300 -0.126 0.000 0.861 719 R HN 0.483 nan 8.270 nan 0.000 0.440 720 T N -2.724 111.724 114.554 -0.178 0.000 2.904 720 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 720 T C 1.797 176.351 174.700 -0.243 0.000 1.059 720 T CA 1.585 63.546 62.100 -0.233 0.000 1.137 720 T CB -0.320 68.380 68.868 -0.280 0.000 0.879 720 T HN 0.136 nan 8.240 nan 0.000 0.467 721 T N 2.496 117.001 114.554 -0.082 0.000 2.708 721 T HA 0.079 4.429 4.350 -0.000 0.000 0.266 721 T C 1.873 176.639 174.700 0.109 0.000 1.037 721 T CA 1.429 63.643 62.100 0.190 0.000 1.146 721 T CB -0.521 68.572 68.868 0.376 0.000 0.865 721 T HN 0.306 nan 8.240 nan 0.000 0.435 722 L N 0.704 121.764 121.223 -0.272 0.000 2.046 722 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 722 L C 2.925 179.754 176.870 -0.069 0.000 1.077 722 L CA 1.451 56.100 54.840 -0.318 0.000 0.747 722 L CB -0.627 41.081 42.059 -0.585 0.000 0.896 722 L HN 0.348 nan 8.230 nan 0.000 0.432 723 Q N -0.304 119.424 119.800 -0.120 0.000 2.084 723 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 723 Q C 2.037 178.012 176.000 -0.041 0.000 0.978 723 Q CA 1.407 57.158 55.803 -0.087 0.000 0.844 723 Q CB -0.216 28.439 28.738 -0.138 0.000 0.898 723 Q HN 0.496 nan 8.270 nan 0.000 0.426 724 N N 0.397 119.040 118.700 -0.095 0.000 2.069 724 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 724 N C 1.531 177.129 175.510 0.147 0.000 1.031 724 N CA 1.266 54.243 53.050 -0.121 0.000 0.852 724 N CB -0.393 37.773 38.487 -0.534 0.000 1.018 724 N HN 0.172 nan 8.380 nan 0.000 0.423 725 F N 1.255 121.348 119.950 0.238 0.000 2.146 725 F HA 0.000 4.527 4.527 -0.000 0.000 0.298 725 F C 2.392 178.279 175.800 0.145 0.000 1.096 725 F CA 0.930 59.101 58.000 0.285 0.000 1.275 725 F CB -0.627 38.604 39.000 0.384 0.000 1.008 725 F HN 0.008 nan 8.300 nan 0.000 0.480 726 A N 0.093 123.073 122.820 0.267 0.000 1.940 726 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 726 A C 2.362 179.998 177.584 0.087 0.000 1.176 726 A CA 1.736 53.858 52.037 0.142 0.000 0.631 726 A CB -1.313 17.730 19.000 0.072 0.000 0.814 726 A HN 0.309 nan 8.150 nan 0.000 0.446 727 A N -0.558 122.302 122.820 0.067 0.000 2.125 727 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 727 A C 1.907 179.509 177.584 0.031 0.000 1.156 727 A CA 1.224 53.281 52.037 0.033 0.000 0.671 727 A CB -0.518 18.489 19.000 0.011 0.000 0.794 727 A HN 0.494 nan 8.150 nan 0.000 0.459 728 L N -1.323 119.922 121.223 0.037 0.000 2.610 728 L HA 0.136 4.476 4.340 -0.000 0.000 0.232 728 L C 1.541 178.414 176.870 0.005 0.000 1.149 728 L CA 0.564 55.394 54.840 -0.017 0.000 0.872 728 L CB -0.277 41.719 42.059 -0.106 0.000 0.992 728 L HN 0.584 nan 8.230 nan 0.000 0.447 729 G N 0.868 109.689 108.800 0.035 0.000 2.165 729 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.226 729 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.226 729 G C -0.027 174.905 174.900 0.054 0.000 1.035 729 G CA 0.081 45.203 45.100 0.037 0.000 0.744 729 G HN 0.235 nan 8.290 nan 0.000 0.501 730 V N -3.219 116.747 119.914 0.085 0.000 2.914 730 V HA 0.862 4.982 4.120 -0.000 0.000 0.314 730 V C -0.165 176.005 176.094 0.125 0.000 1.084 730 V CA -1.565 60.798 62.300 0.106 0.000 0.963 730 V CB 2.157 34.059 31.823 0.132 0.000 1.025 730 V HN 0.052 nan 8.190 nan 0.000 0.432 731 D N 1.593 122.064 120.400 0.119 0.000 2.354 731 D HA 0.605 5.245 4.640 -0.000 0.000 0.247 731 D C -0.003 176.388 176.300 0.153 0.000 1.138 731 D CA 0.107 54.177 54.000 0.117 0.000 0.958 731 D CB 2.100 42.964 40.800 0.106 0.000 1.144 731 D HN 0.947 nan 8.370 nan 0.000 0.458 732 V N -3.054 116.948 119.914 0.147 0.000 2.962 732 V HA 0.956 5.076 4.120 -0.000 0.000 0.313 732 V C -0.914 175.277 176.094 0.163 0.000 1.099 732 V CA -0.930 61.499 62.300 0.216 0.000 0.971 732 V CB 1.548 33.521 31.823 0.251 0.000 1.028 732 V HN 0.722 nan 8.190 nan 0.000 0.430 733 A N 2.965 125.924 122.820 0.233 0.000 2.574 733 A HA 0.873 5.193 4.320 -0.000 0.000 0.297 733 A C -1.457 176.260 177.584 0.222 0.000 1.062 733 A CA -0.586 51.546 52.037 0.159 0.000 0.686 733 A CB 1.609 20.708 19.000 0.165 0.000 1.285 733 A HN 0.922 nan 8.150 nan 0.000 0.403 734 I N 2.130 122.781 120.570 0.135 0.000 2.301 734 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 734 I C 1.639 177.785 176.117 0.047 0.000 1.046 734 I CA 0.486 61.869 61.300 0.138 0.000 1.282 734 I CB 1.357 39.428 38.000 0.119 0.000 1.409 734 I HN 0.802 nan 8.210 nan 0.000 0.484 735 T N 1.079 115.625 114.554 -0.014 0.000 3.040 735 T HA 0.211 4.561 4.350 -0.000 0.000 0.252 735 T C 0.691 175.288 174.700 -0.172 0.000 1.064 735 T CA 0.340 62.391 62.100 -0.081 0.000 1.110 735 T CB 0.024 68.805 68.868 -0.144 0.000 0.921 735 T HN 0.543 nan 8.240 nan 0.000 0.480 736 E N 0.991 120.991 120.200 -0.332 0.000 4.120 736 E HA 0.318 4.668 4.350 -0.000 0.000 0.202 736 E C -1.072 175.294 176.600 -0.390 0.000 1.067 736 E CA -0.503 55.619 56.400 -0.464 0.000 1.424 736 E CB 0.683 29.691 29.700 -1.155 0.000 1.164 736 E HN 0.225 nan 8.360 nan 0.000 0.439 737 L N 2.958 124.104 121.223 -0.128 0.000 2.540 737 L HA 0.097 4.437 4.340 -0.000 0.000 0.276 737 L C -0.685 176.295 176.870 0.184 0.000 1.212 737 L CA 0.780 55.595 54.840 -0.042 0.000 0.893 737 L CB 0.086 42.185 42.059 0.068 0.000 1.138 737 L HN 0.179 nan 8.230 nan 0.000 0.491 738 D N 4.084 124.583 120.400 0.164 0.000 2.769 738 D HA 0.460 5.100 4.640 -0.000 0.000 0.219 738 D C -1.027 175.388 176.300 0.193 0.000 1.245 738 D CA -0.335 53.854 54.000 0.315 0.000 0.801 738 D CB 0.502 41.593 40.800 0.485 0.000 1.598 738 D HN 0.393 nan 8.370 nan 0.000 0.485 739 I N 0.824 121.487 120.570 0.156 0.000 2.468 739 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 739 I C -0.104 176.105 176.117 0.153 0.000 1.039 739 I CA -0.947 60.417 61.300 0.106 0.000 1.074 739 I CB 2.075 39.982 38.000 -0.155 0.000 1.228 739 I HN 0.394 nan 8.210 nan 0.000 0.436 740 Q N 5.231 125.115 119.800 0.139 0.000 2.264 740 Q HA 0.114 4.454 4.340 -0.000 0.000 0.296 740 Q C 1.155 177.212 176.000 0.096 0.000 1.103 740 Q CA 1.524 57.389 55.803 0.103 0.000 0.967 740 Q CB 0.343 29.127 28.738 0.078 0.000 1.090 740 Q HN 1.024 nan 8.270 nan 0.000 0.379 741 G N 3.210 112.068 108.800 0.096 0.000 2.241 741 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 741 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 741 G C 0.500 175.467 174.900 0.111 0.000 0.998 741 G CA 0.159 45.307 45.100 0.081 0.000 0.621 741 G HN 1.902 nan 8.290 nan 0.000 0.519 742 A N -0.945 121.985 122.820 0.183 0.000 2.687 742 A HA 0.103 4.423 4.320 -0.000 0.000 0.299 742 A C 1.257 178.989 177.584 0.246 0.000 1.497 742 A CA 1.830 54.058 52.037 0.319 0.000 0.751 742 A CB -1.978 17.185 19.000 0.272 0.000 1.048 742 A HN 2.482 nan 8.150 nan 0.000 0.464 743 S N -0.072 115.719 115.700 0.151 0.000 2.546 743 S HA 0.321 4.791 4.470 -0.000 0.000 0.290 743 S C 1.555 176.234 174.600 0.132 0.000 1.290 743 S CA 0.450 58.700 58.200 0.084 0.000 1.069 743 S CB 0.586 63.802 63.200 0.027 0.000 0.846 743 S HN 1.060 nan 8.310 nan 0.000 0.495 744 S N 4.092 119.831 115.700 0.066 0.000 2.368 744 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 744 S C 2.192 176.832 174.600 0.067 0.000 1.030 744 S CA 1.542 59.785 58.200 0.072 0.000 0.999 744 S CB -0.411 62.796 63.200 0.013 0.000 0.844 744 S HN 0.795 nan 8.310 nan 0.000 0.459 745 S N 1.240 116.954 115.700 0.022 0.000 2.356 745 S HA -0.095 4.375 4.470 -0.000 0.000 0.223 745 S C 2.155 176.720 174.600 -0.059 0.000 1.032 745 S CA 1.589 59.788 58.200 -0.003 0.000 1.005 745 S CB -0.669 62.528 63.200 -0.006 0.000 0.867 745 S HN 0.607 nan 8.310 nan 0.000 0.449 746 T N 0.765 115.261 114.554 -0.097 0.000 2.777 746 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 746 T C 1.532 176.052 174.700 -0.300 0.000 1.040 746 T CA 1.171 63.098 62.100 -0.288 0.000 1.141 746 T CB -0.448 68.264 68.868 -0.260 0.000 0.868 746 T HN 0.336 nan 8.240 nan 0.000 0.444 747 Y N 1.549 121.782 120.300 -0.112 0.000 2.181 747 Y HA 0.006 4.556 4.550 -0.000 0.000 0.288 747 Y C 2.692 178.565 175.900 -0.045 0.000 1.146 747 Y CA 0.701 58.779 58.100 -0.038 0.000 1.164 747 Y CB -0.683 37.788 38.460 0.017 0.000 0.982 747 Y HN 0.209 nan 8.280 nan 0.000 0.515 748 A N -0.541 122.341 122.820 0.103 0.000 1.929 748 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 748 A C 2.407 179.985 177.584 -0.010 0.000 1.176 748 A CA 1.474 53.541 52.037 0.049 0.000 0.628 748 A CB -1.152 17.867 19.000 0.032 0.000 0.816 748 A HN 0.398 nan 8.150 nan 0.000 0.444 749 A N -0.406 122.350 122.820 -0.108 0.000 1.877 749 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 749 A C 2.208 179.699 177.584 -0.156 0.000 1.186 749 A CA 1.796 53.736 52.037 -0.162 0.000 0.620 749 A CB -0.948 17.858 19.000 -0.324 0.000 0.822 749 A HN 0.378 nan 8.150 nan 0.000 0.443 750 V N -0.164 119.588 119.914 -0.270 0.000 2.343 750 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 750 V C 2.740 178.896 176.094 0.103 0.000 1.051 750 V CA 2.465 64.751 62.300 -0.023 0.000 1.036 750 V CB -1.301 30.518 31.823 -0.007 0.000 0.654 750 V HN 0.614 nan 8.190 nan 0.000 0.451 751 T N 0.303 114.915 114.554 0.097 0.000 2.708 751 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 751 T C 1.835 176.576 174.700 0.068 0.000 1.037 751 T CA 1.633 63.809 62.100 0.126 0.000 1.146 751 T CB -0.385 68.580 68.868 0.162 0.000 0.865 751 T HN 0.419 nan 8.240 nan 0.000 0.435 752 N N 1.258 119.984 118.700 0.043 0.000 2.309 752 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 752 N C 1.481 176.997 175.510 0.010 0.000 1.018 752 N CA 0.861 53.925 53.050 0.023 0.000 0.876 752 N CB -0.360 38.138 38.487 0.018 0.000 0.972 752 N HN 0.365 nan 8.380 nan 0.000 0.434 753 D N 0.186 120.601 120.400 0.025 0.000 2.117 753 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 753 D C 2.008 178.251 176.300 -0.095 0.000 0.987 753 D CA 0.537 54.522 54.000 -0.025 0.000 0.829 753 D CB -0.472 40.340 40.800 0.020 0.000 0.961 753 D HN 0.209 nan 8.370 nan 0.000 0.460 754 c N 0.323 118.889 118.600 -0.058 0.000 2.440 754 c HA 0.004 4.574 4.570 -0.000 0.000 0.278 754 c C 2.718 176.772 174.090 -0.061 0.000 1.295 754 c CA 0.213 56.493 56.329 -0.081 0.000 1.738 754 c CB -1.217 41.265 42.510 -0.046 0.000 1.987 754 c HN 0.276 nan 8.230 nan 0.000 0.492 755 L N 1.038 122.244 121.223 -0.030 0.000 2.275 755 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 755 L C 2.821 179.673 176.870 -0.031 0.000 1.119 755 L CA 1.322 56.149 54.840 -0.022 0.000 0.790 755 L CB -0.540 41.518 42.059 -0.002 0.000 0.919 755 L HN 0.445 nan 8.230 nan 0.000 0.443 756 A N -0.765 122.029 122.820 -0.043 0.000 2.123 756 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 756 A C 0.981 178.529 177.584 -0.060 0.000 1.152 756 A CA 0.286 52.295 52.037 -0.047 0.000 0.728 756 A CB -0.001 18.968 19.000 -0.052 0.000 0.814 756 A HN 0.124 nan 8.150 nan 0.000 0.464 757 V N 1.702 121.572 119.914 -0.074 0.000 2.328 757 V HA 0.144 4.264 4.120 -0.000 0.000 0.278 757 V C 1.506 177.570 176.094 -0.050 0.000 1.021 757 V CA 0.285 62.540 62.300 -0.074 0.000 0.838 757 V CB 0.806 32.561 31.823 -0.112 0.000 0.999 757 V HN 0.608 nan 8.190 nan 0.000 0.447 758 S N 4.700 120.380 115.700 -0.033 0.000 2.402 758 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 758 S C 1.592 176.185 174.600 -0.010 0.000 1.030 758 S CA 0.956 59.145 58.200 -0.019 0.000 1.003 758 S CB -0.210 62.984 63.200 -0.011 0.000 0.813 758 S HN 0.659 nan 8.310 nan 0.000 0.477 759 R N 0.196 120.692 120.500 -0.006 0.000 2.313 759 R HA 0.200 4.540 4.340 -0.000 0.000 0.199 759 R C 0.366 176.671 176.300 0.009 0.000 0.958 759 R CA 0.059 56.167 56.100 0.014 0.000 1.047 759 R CB -1.092 29.229 30.300 0.035 0.000 0.955 759 R HN 0.501 nan 8.270 nan 0.000 0.481 760 c N 1.944 120.527 118.600 -0.027 0.000 2.416 760 c HA 0.200 4.770 4.570 -0.000 0.000 0.355 760 c C 2.085 176.128 174.090 -0.078 0.000 1.211 760 c CA -0.623 55.675 56.329 -0.051 0.000 1.699 760 c CB -1.124 41.331 42.510 -0.091 0.000 2.310 760 c HN 0.438 nan 8.230 nan 0.000 0.539 761 L N 5.358 126.539 121.223 -0.070 0.000 2.093 761 L HA 0.212 4.552 4.340 -0.000 0.000 0.208 761 L C 1.571 178.134 176.870 -0.513 0.000 1.085 761 L CA 1.301 56.069 54.840 -0.121 0.000 0.755 761 L CB -0.701 41.404 42.059 0.076 0.000 0.904 761 L HN 0.937 nan 8.230 nan 0.000 0.435 762 G N -0.876 107.519 108.800 -0.674 0.000 2.317 762 G HA2 0.389 4.349 3.960 -0.000 0.000 0.293 762 G HA3 0.389 4.349 3.960 -0.000 0.000 0.293 762 G C -1.796 172.726 174.900 -0.629 0.000 1.287 762 G CA -0.778 43.692 45.100 -1.049 0.000 0.850 762 G HN -0.095 nan 8.290 nan 0.000 0.515 763 I N 0.232 120.475 120.570 -0.545 0.000 2.545 763 I HA 0.563 4.733 4.170 -0.000 0.000 0.292 763 I C -0.506 175.389 176.117 -0.370 0.000 1.040 763 I CA -0.711 60.347 61.300 -0.403 0.000 1.068 763 I CB 2.726 40.385 38.000 -0.568 0.000 1.251 763 I HN 0.375 nan 8.210 nan 0.000 0.424 764 T N 4.986 119.460 114.554 -0.133 0.000 2.812 764 T HA 0.449 4.799 4.350 -0.000 0.000 0.282 764 T C -0.354 174.358 174.700 0.021 0.000 0.990 764 T CA -0.528 61.553 62.100 -0.031 0.000 0.960 764 T CB 1.648 70.571 68.868 0.091 0.000 0.948 764 T HN 0.380 nan 8.240 nan 0.000 0.438 765 V N 1.254 121.220 119.914 0.087 0.000 2.567 765 V HA 0.479 4.599 4.120 -0.000 0.000 0.289 765 V C 0.252 176.499 176.094 0.255 0.000 1.049 765 V CA -1.126 61.327 62.300 0.254 0.000 0.969 765 V CB 1.270 33.348 31.823 0.424 0.000 0.995 765 V HN 1.003 nan 8.190 nan 0.000 0.471 766 W N 5.114 126.453 121.300 0.066 0.000 1.438 766 W HA 0.538 5.198 4.660 -0.000 0.000 0.455 766 W C 0.584 177.154 176.519 0.085 0.000 0.656 766 W CA 0.653 58.018 57.345 0.032 0.000 2.049 766 W CB -0.019 29.494 29.460 0.088 0.000 1.683 766 W HN 1.242 nan 8.180 nan 0.000 0.228 767 G N 0.143 108.863 108.800 -0.134 0.000 2.357 767 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.643 767 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.643 767 G C -0.532 174.369 174.900 0.002 0.000 1.358 767 G CA -0.646 44.389 45.100 -0.107 0.000 0.986 767 G HN 0.066 nan 8.290 nan 0.000 0.620 768 V N 0.421 120.353 119.914 0.029 0.000 2.423 768 V HA 0.302 4.422 4.120 -0.000 0.000 0.233 768 V C 1.571 177.812 176.094 0.244 0.000 1.067 768 V CA 1.537 63.886 62.300 0.082 0.000 1.073 768 V CB -0.508 31.198 31.823 -0.194 0.000 0.715 768 V HN 0.704 nan 8.190 nan 0.000 0.485 769 R N 0.638 121.256 120.500 0.197 0.000 2.643 769 R HA 0.284 4.624 4.340 -0.000 0.000 0.272 769 R C 0.747 177.168 176.300 0.201 0.000 0.995 769 R CA -0.603 55.632 56.100 0.225 0.000 1.032 769 R CB 0.734 31.135 30.300 0.168 0.000 1.126 769 R HN 0.208 nan 8.270 nan 0.000 0.505 770 D N 0.695 121.205 120.400 0.184 0.000 2.158 770 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 770 D C 1.603 177.982 176.300 0.131 0.000 0.995 770 D CA 2.157 56.251 54.000 0.157 0.000 0.846 770 D CB -0.137 40.736 40.800 0.121 0.000 0.941 770 D HN 0.683 nan 8.370 nan 0.000 0.456 771 T N -1.580 113.042 114.554 0.112 0.000 3.072 771 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 771 T C 1.125 175.877 174.700 0.086 0.000 1.127 771 T CA 0.694 62.846 62.100 0.086 0.000 1.107 771 T CB 0.075 68.983 68.868 0.067 0.000 0.910 771 T HN -0.014 nan 8.240 nan 0.000 0.513 772 D N 1.261 121.730 120.400 0.115 0.000 2.354 772 D HA 0.134 4.774 4.640 -0.000 0.000 0.209 772 D C 0.900 177.272 176.300 0.120 0.000 1.015 772 D CA 0.150 54.209 54.000 0.098 0.000 0.867 772 D CB 0.174 41.067 40.800 0.155 0.000 0.933 772 D HN 0.430 nan 8.370 nan 0.000 0.520 773 S N 1.068 116.872 115.700 0.174 0.000 2.576 773 S HA 0.032 4.502 4.470 -0.000 0.000 0.276 773 S C 1.256 176.050 174.600 0.324 0.000 1.339 773 S CA -0.791 57.580 58.200 0.284 0.000 1.039 773 S CB 0.592 63.962 63.200 0.284 0.000 0.902 773 S HN 0.336 nan 8.310 nan 0.000 0.516 774 W N 4.771 126.142 121.300 0.118 0.000 2.825 774 W HA 0.184 4.844 4.660 0.000 0.000 0.243 774 W C 0.305 176.867 176.519 0.072 0.000 1.293 774 W CA -0.095 57.309 57.345 0.099 0.000 1.403 774 W CB -0.812 28.737 29.460 0.149 0.000 1.134 774 W HN 0.635 nan 8.180 nan 0.000 0.666 775 R N 1.375 121.778 120.500 -0.163 0.000 2.795 775 R HA 0.081 4.421 4.340 -0.000 0.000 0.320 775 R C 1.686 177.950 176.300 -0.061 0.000 1.223 775 R CA 0.508 56.432 56.100 -0.293 0.000 1.305 775 R CB 0.322 30.289 30.300 -0.554 0.000 1.318 775 R HN 0.048 nan 8.270 nan 0.000 0.636 776 S N -0.692 115.018 115.700 0.016 0.000 2.402 776 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 776 S C 2.032 176.648 174.600 0.027 0.000 1.030 776 S CA 1.427 59.657 58.200 0.049 0.000 1.003 776 S CB -0.269 62.965 63.200 0.057 0.000 0.813 776 S HN 0.547 nan 8.310 nan 0.000 0.477 777 G N 1.542 110.340 108.800 -0.004 0.000 2.479 777 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 777 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 777 G C 0.932 175.834 174.900 0.004 0.000 1.115 777 G CA 0.943 46.042 45.100 -0.003 0.000 0.757 777 G HN 0.556 nan 8.290 nan 0.000 0.560 778 D N 0.556 120.955 120.400 -0.002 0.000 2.328 778 D HA 0.039 4.679 4.640 -0.000 0.000 0.221 778 D C 1.414 177.750 176.300 0.060 0.000 1.072 778 D CA 1.017 55.029 54.000 0.019 0.000 0.850 778 D CB -0.287 40.514 40.800 0.001 0.000 0.922 778 D HN 0.374 nan 8.370 nan 0.000 0.516 779 T N -0.100 114.495 114.554 0.068 0.000 3.290 779 T HA -0.152 4.198 4.350 -0.000 0.000 0.422 779 T C -1.795 172.985 174.700 0.135 0.000 0.771 779 T CA 0.139 62.294 62.100 0.092 0.000 2.100 779 T CB -1.077 67.829 68.868 0.063 0.000 1.676 779 T HN 0.157 nan 8.240 nan 0.000 0.613 780 P HA 0.366 nan 4.420 nan 0.000 0.262 780 P C 0.591 178.116 177.300 0.375 0.000 1.304 780 P CA -0.293 62.962 63.100 0.259 0.000 0.859 780 P CB 0.416 32.257 31.700 0.235 0.000 1.310 781 L N -0.919 120.484 121.223 0.299 0.000 2.421 781 L HA 0.391 4.731 4.340 -0.000 0.000 0.267 781 L C 1.927 178.872 176.870 0.125 0.000 1.036 781 L CA -1.103 53.917 54.840 0.299 0.000 0.829 781 L CB 0.639 42.880 42.059 0.303 0.000 1.437 781 L HN -0.283 nan 8.230 nan 0.000 0.488 782 L N -0.518 120.748 121.223 0.072 0.000 2.509 782 L HA 0.180 4.520 4.340 -0.000 0.000 0.222 782 L C -0.502 176.135 176.870 -0.388 0.000 1.123 782 L CA 0.465 55.185 54.840 -0.200 0.000 0.856 782 L CB 0.032 41.956 42.059 -0.225 0.000 0.985 782 L HN 0.237 nan 8.230 nan 0.000 0.456 783 F N 0.055 120.050 119.950 0.075 0.000 2.551 783 F HA 0.310 4.837 4.527 -0.000 0.000 0.316 783 F C 0.389 176.208 175.800 0.031 0.000 1.089 783 F CA -1.470 56.545 58.000 0.024 0.000 0.915 783 F CB 1.065 40.080 39.000 0.024 0.000 1.186 783 F HN -0.081 nan 8.300 nan 0.000 0.456 784 N N 0.364 119.160 118.700 0.159 0.000 2.405 784 N HA 0.286 5.026 4.740 -0.000 0.000 0.269 784 N C 1.187 176.763 175.510 0.110 0.000 1.249 784 N CA -0.177 52.933 53.050 0.100 0.000 0.974 784 N CB 0.030 38.536 38.487 0.032 0.000 1.204 784 N HN 0.654 nan 8.380 nan 0.000 0.565 785 G N -0.935 107.911 108.800 0.077 0.000 2.475 785 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 785 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 785 G C 0.623 175.556 174.900 0.056 0.000 1.125 785 G CA 0.764 45.905 45.100 0.068 0.000 0.755 785 G HN 0.702 nan 8.290 nan 0.000 0.565 786 D N 0.399 120.825 120.400 0.043 0.000 2.363 786 D HA 0.113 4.753 4.640 -0.000 0.000 0.220 786 D C 2.016 178.335 176.300 0.032 0.000 0.994 786 D CA 0.988 55.004 54.000 0.028 0.000 0.890 786 D CB -0.054 40.751 40.800 0.009 0.000 0.906 786 D HN 0.432 nan 8.370 nan 0.000 0.530 787 G N 0.636 109.473 108.800 0.062 0.000 2.141 787 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 787 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 787 G C 0.267 175.235 174.900 0.113 0.000 0.982 787 G CA 0.171 45.304 45.100 0.056 0.000 0.662 787 G HN 0.290 nan 8.290 nan 0.000 0.527 788 S N 0.344 116.109 115.700 0.107 0.000 2.554 788 S HA 0.507 4.977 4.470 -0.000 0.000 0.278 788 S C 0.479 175.107 174.600 0.046 0.000 1.242 788 S CA -0.608 57.627 58.200 0.057 0.000 1.051 788 S CB 1.334 64.521 63.200 -0.022 0.000 0.986 788 S HN 0.428 nan 8.310 nan 0.000 0.502 789 K N 2.321 122.655 120.400 -0.110 0.000 2.412 789 K HA 0.127 4.447 4.320 -0.000 0.000 0.281 789 K C 0.059 176.499 176.600 -0.267 0.000 1.027 789 K CA 0.182 56.198 56.287 -0.452 0.000 0.989 789 K CB 0.413 32.502 32.500 -0.685 0.000 0.935 789 K HN 0.438 nan 8.250 nan 0.000 0.475 790 K N 0.926 121.167 120.400 -0.263 0.000 2.127 790 K HA 0.218 4.538 4.320 -0.000 0.000 0.240 790 K C 1.206 177.762 176.600 -0.074 0.000 1.024 790 K CA -0.339 55.865 56.287 -0.138 0.000 0.918 790 K CB 0.755 33.184 32.500 -0.119 0.000 1.108 790 K HN 0.598 nan 8.250 nan 0.000 0.485 791 A N 0.937 123.736 122.820 -0.034 0.000 1.940 791 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 791 A C 2.157 179.748 177.584 0.013 0.000 1.176 791 A CA 2.241 54.299 52.037 0.036 0.000 0.631 791 A CB -1.005 18.009 19.000 0.024 0.000 0.814 791 A HN 0.769 nan 8.150 nan 0.000 0.446 792 A N -1.586 121.203 122.820 -0.051 0.000 1.972 792 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 792 A C 2.052 179.515 177.584 -0.201 0.000 1.169 792 A CA 1.569 53.541 52.037 -0.108 0.000 0.635 792 A CB -0.756 18.136 19.000 -0.179 0.000 0.810 792 A HN 0.762 nan 8.150 nan 0.000 0.446 793 Y N 1.334 121.434 120.300 -0.334 0.000 2.128 793 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 793 Y C 2.580 178.329 175.900 -0.250 0.000 1.154 793 Y CA 2.514 60.378 58.100 -0.393 0.000 1.149 793 Y CB -0.739 37.401 38.460 -0.534 0.000 0.976 793 Y HN 0.300 nan 8.280 nan 0.000 0.505 794 T N 0.753 115.321 114.554 0.023 0.000 2.788 794 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 794 T C 2.089 176.742 174.700 -0.079 0.000 1.044 794 T CA 1.319 63.421 62.100 0.004 0.000 1.139 794 T CB -0.747 68.178 68.868 0.095 0.000 0.867 794 T HN 0.516 nan 8.240 nan 0.000 0.454 795 A N 0.896 123.686 122.820 -0.050 0.000 1.902 795 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 795 A C 2.569 180.109 177.584 -0.075 0.000 1.181 795 A CA 1.256 53.280 52.037 -0.022 0.000 0.623 795 A CB -0.897 18.118 19.000 0.025 0.000 0.818 795 A HN 0.364 nan 8.150 nan 0.000 0.443 796 V N -0.432 119.382 119.914 -0.168 0.000 2.323 796 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 796 V C 2.463 178.401 176.094 -0.260 0.000 1.041 796 V CA 1.809 64.001 62.300 -0.180 0.000 1.025 796 V CB -0.750 30.908 31.823 -0.276 0.000 0.656 796 V HN 0.571 nan 8.190 nan 0.000 0.451 797 L N 0.947 121.914 121.223 -0.425 0.000 2.042 797 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 797 L C 2.151 178.915 176.870 -0.178 0.000 1.076 797 L CA 2.024 56.643 54.840 -0.369 0.000 0.749 797 L CB -0.930 40.870 42.059 -0.431 0.000 0.893 797 L HN 0.320 nan 8.230 nan 0.000 0.432 798 N N -0.057 118.568 118.700 -0.125 0.000 2.188 798 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 798 N C 1.820 177.304 175.510 -0.043 0.000 1.018 798 N CA 1.473 54.486 53.050 -0.061 0.000 0.858 798 N CB -0.497 37.971 38.487 -0.032 0.000 0.989 798 N HN 0.525 nan 8.380 nan 0.000 0.426 799 A N 0.960 123.755 122.820 -0.041 0.000 1.898 799 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 799 A C 2.299 179.875 177.584 -0.012 0.000 1.181 799 A CA 0.829 52.857 52.037 -0.014 0.000 0.620 799 A CB -0.713 18.291 19.000 0.007 0.000 0.819 799 A HN 0.211 nan 8.150 nan 0.000 0.442 800 L N -0.147 121.059 121.223 -0.029 0.000 2.083 800 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 800 L C 1.657 178.515 176.870 -0.020 0.000 1.083 800 L CA 1.007 55.838 54.840 -0.015 0.000 0.752 800 L CB -0.555 41.479 42.059 -0.041 0.000 0.899 800 L HN 0.354 nan 8.230 nan 0.000 0.433 801 N N -0.116 118.562 118.700 -0.036 0.000 2.521 801 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 801 N C 1.401 176.902 175.510 -0.016 0.000 1.146 801 N CA 1.064 54.098 53.050 -0.027 0.000 0.893 801 N CB 0.803 39.270 38.487 -0.034 0.000 0.975 801 N HN 0.496 nan 8.380 nan 0.000 0.451 802 G N -0.890 107.903 108.800 -0.012 0.000 2.278 802 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.210 802 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.210 802 G C 0.655 175.552 174.900 -0.005 0.000 1.000 802 G CA -0.068 45.028 45.100 -0.007 0.000 0.635 802 G HN 0.600 nan 8.290 nan 0.000 0.495 814 Q N -0.955 118.902 119.800 0.094 0.000 2.205 814 Q HA 0.700 5.040 4.340 -0.000 0.000 0.249 814 Q C -0.602 175.455 176.000 0.095 0.000 0.948 814 Q CA -0.532 55.349 55.803 0.131 0.000 0.895 814 Q CB 2.440 31.232 28.738 0.090 0.000 1.249 814 Q HN 0.412 nan 8.270 nan 0.000 0.458 815 I N 2.197 122.812 120.570 0.076 0.000 2.476 815 I HA 0.255 4.425 4.170 -0.000 0.000 0.281 815 I C -0.775 175.412 176.117 0.118 0.000 1.040 815 I CA -0.678 60.620 61.300 -0.003 0.000 1.094 815 I CB 1.092 38.923 38.000 -0.283 0.000 1.219 815 I HN 0.483 nan 8.210 nan 0.000 0.450 816 K N 4.529 125.034 120.400 0.175 0.000 2.221 816 K HA 0.721 5.040 4.320 -0.000 0.000 0.258 816 K C 0.009 176.716 176.600 0.178 0.000 0.944 816 K CA -0.652 55.750 56.287 0.192 0.000 0.823 816 K CB 2.210 34.764 32.500 0.089 0.000 1.113 816 K HN 0.520 nan 8.250 nan 0.000 0.431 817 G N 1.624 110.450 108.800 0.043 0.000 2.378 817 G HA2 0.224 4.184 3.960 -0.000 0.000 0.255 817 G HA3 0.224 4.184 3.960 -0.000 0.000 0.255 817 G C 0.986 175.691 174.900 -0.324 0.000 1.270 817 G CA -0.580 44.206 45.100 -0.524 0.000 0.876 817 G HN 0.597 nan 8.290 nan 0.000 0.521 818 V N 1.816 121.515 119.914 -0.359 0.000 2.358 818 V HA 0.005 4.125 4.120 -0.000 0.000 0.246 818 V C 2.489 178.465 176.094 -0.198 0.000 1.047 818 V CA 2.074 64.245 62.300 -0.216 0.000 1.035 818 V CB -1.099 30.611 31.823 -0.188 0.000 0.658 818 V HN 0.654 nan 8.190 nan 0.000 0.452 819 G N 0.169 108.816 108.800 -0.255 0.000 2.625 819 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.214 819 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.214 819 G C 1.504 176.312 174.900 -0.152 0.000 1.132 819 G CA 1.332 46.318 45.100 -0.189 0.000 0.782 819 G HN 0.918 nan 8.290 nan 0.000 0.538 820 S N -2.829 112.775 115.700 -0.160 0.000 2.653 820 S HA 0.383 4.853 4.470 -0.000 0.000 0.259 820 S C 1.771 176.324 174.600 -0.078 0.000 1.076 820 S CA 1.009 59.145 58.200 -0.106 0.000 1.051 820 S CB 0.275 63.418 63.200 -0.096 0.000 0.994 820 S HN 1.428 nan 8.310 nan 0.000 0.552 821 G N 1.960 110.709 108.800 -0.085 0.000 2.162 821 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 821 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 821 G C 0.099 174.989 174.900 -0.018 0.000 0.976 821 G CA 0.370 45.440 45.100 -0.050 0.000 0.655 821 G HN 0.646 nan 8.290 nan 0.000 0.533 822 R N -0.980 119.516 120.500 -0.007 0.000 2.573 822 R HA 0.626 4.966 4.340 -0.000 0.000 0.272 822 R C 0.027 176.393 176.300 0.110 0.000 1.009 822 R CA -0.320 55.805 56.100 0.042 0.000 1.059 822 R CB 1.109 31.435 30.300 0.043 0.000 1.112 822 R HN 0.201 nan 8.270 nan 0.000 0.517 823 c N 1.713 120.400 118.600 0.145 0.000 2.370 823 c HA 0.272 4.841 4.570 -0.000 0.000 0.354 823 c C 0.051 174.260 174.090 0.198 0.000 1.218 823 c CA -0.749 55.684 56.329 0.174 0.000 2.154 823 c CB 0.611 43.211 42.510 0.151 0.000 2.391 823 c HN 0.591 nan 8.230 nan 0.000 0.540 824 L N 4.134 125.437 121.223 0.133 0.000 2.534 824 L HA 0.207 4.547 4.340 -0.000 0.000 0.271 824 L C 0.133 177.154 176.870 0.252 0.000 1.178 824 L CA 1.241 56.092 54.840 0.019 0.000 0.907 824 L CB -0.312 41.468 42.059 -0.466 0.000 1.164 824 L HN 0.695 nan 8.230 nan 0.000 0.482 825 D N 3.860 124.401 120.400 0.235 0.000 2.738 825 D HA 0.257 4.897 4.640 -0.000 0.000 0.237 825 D C -1.395 175.023 176.300 0.197 0.000 1.123 825 D CA -0.485 53.659 54.000 0.240 0.000 0.856 825 D CB 2.354 43.287 40.800 0.222 0.000 1.552 825 D HN 0.232 nan 8.370 nan 0.000 0.480 826 V N 4.414 124.416 119.914 0.146 0.000 2.334 826 V HA 0.261 4.381 4.120 -0.000 0.000 0.267 826 V C -2.071 174.065 176.094 0.069 0.000 1.040 826 V CA -1.534 60.839 62.300 0.123 0.000 0.866 826 V CB 0.914 32.792 31.823 0.092 0.000 1.019 826 V HN 0.477 nan 8.190 nan 0.000 0.468 827 P HA -0.050 nan 4.420 nan 0.000 0.259 827 P C 0.631 177.925 177.300 -0.009 0.000 1.163 827 P CA 0.820 63.913 63.100 -0.012 0.000 0.760 827 P CB -0.122 31.585 31.700 0.012 0.000 0.762 828 N N 2.692 121.359 118.700 -0.054 0.000 2.732 828 N HA -0.313 4.427 4.740 -0.000 0.000 0.250 828 N C 0.387 175.898 175.510 0.002 0.000 1.097 828 N CA 0.285 53.316 53.050 -0.031 0.000 0.812 828 N CB -1.468 37.006 38.487 -0.021 0.000 1.148 828 N HN 0.657 nan 8.380 nan 0.000 0.572 829 A N -1.058 121.786 122.820 0.040 0.000 2.832 829 A HA -0.246 4.074 4.320 -0.000 0.000 0.280 829 A C 0.902 178.504 177.584 0.030 0.000 1.464 829 A CA 1.211 53.311 52.037 0.105 0.000 0.804 829 A CB -2.179 16.868 19.000 0.078 0.000 1.020 829 A HN 1.149 nan 8.150 nan 0.000 0.563 830 S N -0.809 114.909 115.700 0.030 0.000 2.603 830 S HA 0.591 5.061 4.470 -0.000 0.000 0.268 830 S C 0.880 175.437 174.600 -0.072 0.000 1.317 830 S CA 0.459 58.637 58.200 -0.037 0.000 1.012 830 S CB 1.317 64.518 63.200 0.001 0.000 0.926 830 S HN 1.695 nan 8.310 nan 0.000 0.539 831 T N -2.468 111.989 114.554 -0.162 0.000 3.182 831 T HA 0.264 4.614 4.350 -0.000 0.000 0.277 831 T C 0.069 174.741 174.700 -0.047 0.000 1.013 831 T CA -0.475 61.516 62.100 -0.183 0.000 0.900 831 T CB -0.538 68.103 68.868 -0.379 0.000 1.098 831 T HN 0.564 nan 8.240 nan 0.000 0.543 832 T N 3.522 118.071 114.554 -0.007 0.000 2.814 832 T HA 0.231 4.581 4.350 -0.000 0.000 0.297 832 T C -0.108 174.629 174.700 0.061 0.000 0.956 832 T CA -0.387 61.721 62.100 0.014 0.000 1.123 832 T CB 0.571 69.451 68.868 0.019 0.000 0.902 832 T HN 0.290 nan 8.240 nan 0.000 0.528 833 D N 1.941 122.373 120.400 0.053 0.000 2.443 833 D HA 0.314 4.954 4.640 -0.000 0.000 0.239 833 D C 1.415 177.823 176.300 0.179 0.000 1.136 833 D CA 1.185 55.260 54.000 0.126 0.000 0.879 833 D CB 0.760 41.602 40.800 0.071 0.000 1.195 833 D HN 0.895 nan 8.370 nan 0.000 0.443 834 G N 1.774 110.716 108.800 0.237 0.000 2.175 834 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 834 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 834 G C 0.466 175.448 174.900 0.135 0.000 0.982 834 G CA 0.174 45.381 45.100 0.177 0.000 0.641 834 G HN 0.552 nan 8.290 nan 0.000 0.527 835 T N 1.521 116.158 114.554 0.138 0.000 2.752 835 T HA 0.427 4.777 4.350 -0.000 0.000 0.295 835 T C 0.430 175.206 174.700 0.126 0.000 0.923 835 T CA 0.300 62.470 62.100 0.117 0.000 1.112 835 T CB 1.437 70.375 68.868 0.116 0.000 0.884 835 T HN 0.542 nan 8.240 nan 0.000 0.525 836 Q N 3.309 123.170 119.800 0.101 0.000 2.332 836 Q HA 0.358 4.698 4.340 -0.000 0.000 0.263 836 Q C 0.114 176.170 176.000 0.094 0.000 0.979 836 Q CA -0.733 55.127 55.803 0.094 0.000 0.885 836 Q CB 0.623 29.406 28.738 0.075 0.000 1.218 836 Q HN 0.635 nan 8.270 nan 0.000 0.405 837 V N 1.476 121.443 119.914 0.087 0.000 3.036 837 V HA 0.483 4.603 4.120 -0.000 0.000 0.308 837 V C -0.450 175.684 176.094 0.066 0.000 1.070 837 V CA -0.415 61.938 62.300 0.089 0.000 1.056 837 V CB 1.188 33.046 31.823 0.059 0.000 1.084 837 V HN 1.009 nan 8.190 nan 0.000 0.471 838 Q N 2.000 121.854 119.800 0.090 0.000 2.693 838 Q HA 0.714 5.054 4.340 -0.000 0.000 0.306 838 Q C -1.489 174.602 176.000 0.152 0.000 0.969 838 Q CA -1.133 54.735 55.803 0.108 0.000 0.757 838 Q CB 2.197 31.004 28.738 0.115 0.000 1.494 838 Q HN 0.658 nan 8.270 nan 0.000 0.459 839 L N 1.019 122.349 121.223 0.178 0.000 2.334 839 L HA 0.666 5.006 4.340 -0.000 0.000 0.277 839 L C -1.188 175.853 176.870 0.286 0.000 1.075 839 L CA -0.765 54.199 54.840 0.207 0.000 0.804 839 L CB 0.893 43.046 42.059 0.157 0.000 1.174 839 L HN 0.650 nan 8.230 nan 0.000 0.438 840 Y N 0.664 121.030 120.300 0.110 0.000 2.604 840 Y HA 0.155 4.705 4.550 0.000 0.000 0.331 840 Y C -0.894 175.086 175.900 0.134 0.000 1.158 840 Y CA -1.259 56.910 58.100 0.116 0.000 1.056 840 Y CB 1.434 39.979 38.460 0.142 0.000 1.330 840 Y HN 0.560 nan 8.280 nan 0.000 0.457 841 D N 3.068 123.178 120.400 -0.483 0.000 2.662 841 D HA -0.039 4.601 4.640 -0.000 0.000 0.237 841 D C -0.094 176.315 176.300 0.182 0.000 1.154 841 D CA 0.906 54.782 54.000 -0.206 0.000 0.861 841 D CB 0.224 40.794 40.800 -0.384 0.000 1.146 841 D HN 0.489 nan 8.370 nan 0.000 0.518 842 c N 5.059 123.749 118.600 0.149 0.000 2.634 842 c HA 0.144 4.714 4.570 -0.000 0.000 0.418 842 c C 0.641 174.887 174.090 0.260 0.000 1.373 842 c CA -0.111 56.325 56.329 0.179 0.000 1.756 842 c CB -1.025 41.544 42.510 0.099 0.000 2.589 842 c HN 0.656 nan 8.230 nan 0.000 0.602 843 H N 0.032 119.158 119.070 0.093 0.000 3.137 843 H HA 0.192 4.748 4.556 -0.000 0.000 0.336 843 H C -0.805 174.565 175.328 0.069 0.000 1.055 843 H CA -0.438 55.655 56.048 0.076 0.000 1.349 843 H CB 0.483 30.298 29.762 0.089 0.000 1.939 843 H HN 0.449 nan 8.280 nan 0.000 0.487 844 S N 2.169 117.899 115.700 0.050 0.000 2.808 844 S HA 0.386 4.856 4.470 -0.000 0.000 0.342 844 S C -0.019 174.566 174.600 -0.026 0.000 1.154 844 S CA 0.291 58.487 58.200 -0.006 0.000 1.476 844 S CB -1.713 61.504 63.200 0.029 0.000 1.290 844 S HN 0.832 nan 8.310 nan 0.000 0.582 845 A N 4.202 126.940 122.820 -0.137 0.000 2.486 845 A HA 0.585 4.905 4.320 -0.000 0.000 0.300 845 A C 1.073 178.584 177.584 -0.122 0.000 1.048 845 A CA -0.614 51.363 52.037 -0.099 0.000 0.696 845 A CB 0.762 19.676 19.000 -0.143 0.000 1.278 845 A HN 0.542 nan 8.150 nan 0.000 0.405 846 T N 1.651 116.169 114.554 -0.061 0.000 2.680 846 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 846 T C 1.599 176.148 174.700 -0.251 0.000 1.033 846 T CA 2.226 64.271 62.100 -0.092 0.000 1.152 846 T CB -0.403 68.497 68.868 0.053 0.000 0.859 846 T HN 0.884 nan 8.240 nan 0.000 0.452 847 N N 1.120 119.736 118.700 -0.139 0.000 2.627 847 N HA -0.079 4.661 4.740 -0.000 0.000 0.196 847 N C 1.030 176.353 175.510 -0.312 0.000 1.268 847 N CA 0.544 53.441 53.050 -0.256 0.000 0.904 847 N CB -0.109 38.394 38.487 0.026 0.000 1.016 847 N HN 0.511 nan 8.380 nan 0.000 0.448 848 Q N -0.932 118.680 119.800 -0.313 0.000 2.081 848 Q HA 0.173 4.513 4.340 -0.000 0.000 0.220 848 Q C -0.589 175.314 176.000 -0.161 0.000 0.775 848 Q CA -0.235 55.483 55.803 -0.141 0.000 0.983 848 Q CB 0.827 29.497 28.738 -0.113 0.000 1.188 848 Q HN 0.255 nan 8.270 nan 0.000 0.458 849 Q N 0.098 119.665 119.800 -0.388 0.000 2.360 849 Q HA 0.177 4.517 4.340 -0.000 0.000 0.254 849 Q C -1.283 174.435 176.000 -0.470 0.000 0.975 849 Q CA 0.286 55.928 55.803 -0.269 0.000 0.912 849 Q CB 0.575 29.189 28.738 -0.207 0.000 1.212 849 Q HN 0.108 nan 8.270 nan 0.000 0.452 850 W N 1.303 122.537 121.300 -0.110 0.000 2.587 850 W HA 0.357 5.017 4.660 -0.000 0.000 0.324 850 W C -0.015 176.477 176.519 -0.045 0.000 1.040 850 W CA -0.520 56.762 57.345 -0.106 0.000 1.222 850 W CB 1.610 30.986 29.460 -0.140 0.000 1.381 850 W HN 0.195 nan 8.180 nan 0.000 0.483 851 T N 3.173 117.831 114.554 0.173 0.000 2.758 851 T HA 0.167 4.517 4.350 -0.000 0.000 0.285 851 T C -1.393 173.443 174.700 0.226 0.000 0.981 851 T CA -0.402 61.789 62.100 0.150 0.000 0.965 851 T CB 0.360 69.271 68.868 0.071 0.000 0.927 851 T HN 0.153 nan 8.240 nan 0.000 0.448 852 Y N 4.362 124.703 120.300 0.068 0.000 2.383 852 Y HA 0.408 4.958 4.550 -0.000 0.000 0.344 852 Y C 0.905 176.839 175.900 0.057 0.000 0.986 852 Y CA -1.078 57.060 58.100 0.063 0.000 1.175 852 Y CB 0.213 38.699 38.460 0.043 0.000 1.152 852 Y HN 0.717 nan 8.280 nan 0.000 0.511 853 T N 0.870 115.296 114.554 -0.214 0.000 2.881 853 T HA 0.183 4.533 4.350 -0.000 0.000 0.278 853 T C 0.855 175.340 174.700 -0.357 0.000 0.982 853 T CA -0.670 61.308 62.100 -0.203 0.000 0.989 853 T CB 1.010 69.820 68.868 -0.096 0.000 1.058 853 T HN 0.560 nan 8.240 nan 0.000 0.529 854 D N 0.657 120.944 120.400 -0.188 0.000 2.221 854 D HA -0.046 4.594 4.640 -0.000 0.000 0.204 854 D C 2.087 178.294 176.300 -0.157 0.000 0.982 854 D CA 1.378 55.287 54.000 -0.153 0.000 0.857 854 D CB -0.404 40.359 40.800 -0.061 0.000 0.934 854 D HN 0.757 nan 8.370 nan 0.000 0.475 855 A N -0.394 122.338 122.820 -0.148 0.000 2.167 855 A HA 0.332 4.652 4.320 -0.000 0.000 0.214 855 A C 1.715 179.208 177.584 -0.153 0.000 1.151 855 A CA 1.227 53.197 52.037 -0.113 0.000 0.735 855 A CB -0.030 18.922 19.000 -0.080 0.000 0.802 855 A HN 0.257 nan 8.150 nan 0.000 0.467 856 G N -0.523 108.097 108.800 -0.300 0.000 2.130 856 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 856 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 856 G C -0.272 174.644 174.900 0.027 0.000 0.999 856 G CA 0.184 45.114 45.100 -0.282 0.000 0.686 856 G HN 0.623 nan 8.290 nan 0.000 0.515 857 E N -0.706 119.490 120.200 -0.007 0.000 2.283 857 E HA 0.688 5.038 4.350 -0.000 0.000 0.267 857 E C 0.084 176.876 176.600 0.321 0.000 1.045 857 E CA -0.700 55.829 56.400 0.215 0.000 0.884 857 E CB 1.456 31.224 29.700 0.113 0.000 1.106 857 E HN 0.205 nan 8.360 nan 0.000 0.408 858 L N 2.633 124.077 121.223 0.369 0.000 2.337 858 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 858 L C -0.141 176.953 176.870 0.373 0.000 1.018 858 L CA -0.362 54.668 54.840 0.317 0.000 0.876 858 L CB 0.670 42.739 42.059 0.015 0.000 1.236 858 L HN 0.289 nan 8.230 nan 0.000 0.436 859 R N 1.922 122.578 120.500 0.260 0.000 2.457 859 R HA 0.695 5.035 4.340 -0.000 0.000 0.284 859 R C -0.923 175.318 176.300 -0.099 0.000 1.024 859 R CA -0.640 55.531 56.100 0.119 0.000 1.025 859 R CB 2.695 33.033 30.300 0.065 0.000 1.063 859 R HN 0.262 nan 8.270 nan 0.000 0.493 860 V N 3.699 123.424 119.914 -0.314 0.000 2.760 860 V HA 0.229 4.349 4.120 -0.000 0.000 0.309 860 V C -1.088 174.720 176.094 -0.477 0.000 1.077 860 V CA -0.380 61.458 62.300 -0.770 0.000 0.910 860 V CB 1.221 32.139 31.823 -1.509 0.000 1.008 860 V HN 0.917 nan 8.190 nan 0.000 0.424 861 Y N 4.119 124.281 120.300 -0.230 0.000 4.881 861 Y HA -0.227 4.323 4.550 0.000 0.000 0.241 861 Y C 1.697 177.543 175.900 -0.090 0.000 0.985 861 Y CA 1.511 59.525 58.100 -0.143 0.000 1.976 861 Y CB -1.932 36.453 38.460 -0.125 0.000 1.528 861 Y HN 1.691 nan 8.280 nan 0.000 0.581 862 G N -0.807 108.003 108.800 0.016 0.000 2.383 862 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.229 862 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.229 862 G C 0.567 175.490 174.900 0.037 0.000 1.089 862 G CA 0.722 45.835 45.100 0.022 0.000 0.640 862 G HN 0.478 nan 8.290 nan 0.000 0.510 863 D N 0.122 120.558 120.400 0.061 0.000 2.556 863 D HA 0.257 4.897 4.640 -0.000 0.000 0.237 863 D C 0.339 176.689 176.300 0.082 0.000 1.296 863 D CA 0.041 54.079 54.000 0.062 0.000 0.807 863 D CB 0.214 41.041 40.800 0.046 0.000 1.084 863 D HN 0.234 nan 8.370 nan 0.000 0.510 864 K N 0.136 120.595 120.400 0.099 0.000 2.164 864 K HA 0.496 4.816 4.320 -0.000 0.000 0.258 864 K C -0.669 176.015 176.600 0.140 0.000 0.951 864 K CA -0.509 55.855 56.287 0.128 0.000 0.844 864 K CB 1.848 34.460 32.500 0.187 0.000 1.099 864 K HN -0.034 nan 8.250 nan 0.000 0.435 865 c N 2.213 120.945 118.600 0.219 0.000 2.507 865 c HA 0.335 4.905 4.570 -0.000 0.000 0.319 865 c C -0.174 174.132 174.090 0.359 0.000 1.208 865 c CA -1.002 55.495 56.329 0.280 0.000 1.619 865 c CB 1.004 43.673 42.510 0.264 0.000 2.230 865 c HN 0.748 nan 8.230 nan 0.000 0.492 866 L N 4.258 125.721 121.223 0.400 0.000 2.534 866 L HA 0.229 4.569 4.340 -0.000 0.000 0.271 866 L C 0.087 177.243 176.870 0.475 0.000 1.178 866 L CA 1.382 56.405 54.840 0.304 0.000 0.907 866 L CB -0.095 41.877 42.059 -0.144 0.000 1.164 866 L HN 0.672 nan 8.230 nan 0.000 0.482 867 D N 4.432 125.072 120.400 0.399 0.000 2.646 867 D HA 0.525 5.165 4.640 -0.000 0.000 0.245 867 D C -1.376 175.115 176.300 0.319 0.000 1.099 867 D CA -0.501 53.723 54.000 0.374 0.000 0.849 867 D CB 2.126 43.125 40.800 0.332 0.000 1.448 867 D HN 0.687 nan 8.370 nan 0.000 0.489 868 A N 2.444 125.414 122.820 0.250 0.000 2.249 868 A HA 0.592 4.912 4.320 -0.000 0.000 0.314 868 A C 0.384 178.015 177.584 0.079 0.000 1.290 868 A CA -0.396 51.745 52.037 0.174 0.000 0.893 868 A CB 0.965 20.021 19.000 0.093 0.000 1.165 868 A HN 0.540 nan 8.150 nan 0.000 0.530 869 A N 2.531 125.395 122.820 0.073 0.000 2.648 869 A HA 0.576 4.896 4.320 -0.000 0.000 0.269 869 A C 0.884 178.484 177.584 0.027 0.000 1.392 869 A CA 0.595 52.650 52.037 0.030 0.000 1.019 869 A CB -0.927 18.091 19.000 0.029 0.000 1.009 869 A HN 2.139 nan 8.150 nan 0.000 0.565 870 G N -1.944 106.873 108.800 0.028 0.000 2.315 870 G HA2 0.372 4.332 3.960 -0.000 0.000 0.294 870 G HA3 0.372 4.332 3.960 -0.000 0.000 0.294 870 G C 0.063 174.971 174.900 0.014 0.000 1.300 870 G CA 0.388 45.501 45.100 0.022 0.000 0.843 870 G HN 0.658 nan 8.290 nan 0.000 0.527 871 T N -2.618 111.942 114.554 0.010 0.000 3.058 871 T HA 0.543 4.893 4.350 -0.000 0.000 0.278 871 T C 1.040 175.744 174.700 0.007 0.000 0.974 871 T CA 1.125 63.224 62.100 -0.002 0.000 0.893 871 T CB 0.724 69.583 68.868 -0.016 0.000 1.138 871 T HN 1.457 nan 8.240 nan 0.000 0.529 872 G N 1.026 109.839 108.800 0.021 0.000 2.511 872 G HA2 0.506 4.466 3.960 -0.000 0.000 0.316 872 G HA3 0.506 4.466 3.960 -0.000 0.000 0.316 872 G C -0.475 174.457 174.900 0.054 0.000 1.210 872 G CA -0.838 44.276 45.100 0.024 0.000 0.969 872 G HN 0.205 nan 8.290 nan 0.000 0.492 873 N N -0.318 118.412 118.700 0.051 0.000 2.407 873 N HA 0.229 4.969 4.740 -0.000 0.000 0.250 873 N C 1.317 176.947 175.510 0.200 0.000 1.236 873 N CA 1.567 54.700 53.050 0.139 0.000 0.879 873 N CB 1.150 39.684 38.487 0.079 0.000 1.088 873 N HN 1.117 nan 8.380 nan 0.000 0.450 874 G N 0.948 109.905 108.800 0.262 0.000 2.179 874 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 874 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 874 G C 0.257 175.223 174.900 0.111 0.000 0.977 874 G CA 0.391 45.585 45.100 0.156 0.000 0.641 874 G HN 0.611 nan 8.290 nan 0.000 0.533 875 T N 1.270 115.893 114.554 0.115 0.000 2.928 875 T HA 0.323 4.673 4.350 -0.000 0.000 0.305 875 T C 0.704 175.462 174.700 0.097 0.000 1.035 875 T CA 0.666 62.821 62.100 0.093 0.000 1.145 875 T CB 1.046 69.967 68.868 0.089 0.000 0.963 875 T HN 0.517 nan 8.240 nan 0.000 0.545 876 K N 3.250 123.700 120.400 0.082 0.000 2.368 876 K HA 0.233 4.553 4.320 -0.000 0.000 0.282 876 K C -0.861 175.799 176.600 0.100 0.000 1.035 876 K CA -0.413 55.923 56.287 0.081 0.000 0.973 876 K CB 0.375 32.917 32.500 0.071 0.000 0.957 876 K HN 0.295 nan 8.250 nan 0.000 0.474 877 V N 6.168 126.136 119.914 0.091 0.000 2.370 877 V HA 0.186 4.306 4.120 -0.000 0.000 0.279 877 V C 0.004 176.149 176.094 0.085 0.000 1.029 877 V CA -0.380 61.978 62.300 0.096 0.000 0.870 877 V CB 0.950 32.783 31.823 0.017 0.000 0.984 877 V HN 0.976 nan 8.190 nan 0.000 0.451 878 Q N 5.520 125.401 119.800 0.135 0.000 3.093 878 Q HA 0.771 5.111 4.340 -0.000 0.000 0.330 878 Q C -0.782 175.353 176.000 0.226 0.000 0.947 878 Q CA -1.071 54.829 55.803 0.162 0.000 0.801 878 Q CB 2.615 31.452 28.738 0.164 0.000 1.470 878 Q HN 0.644 nan 8.270 nan 0.000 0.498 879 I N -2.253 118.469 120.570 0.254 0.000 2.562 879 I HA 0.798 4.968 4.170 -0.000 0.000 0.301 879 I C -1.497 174.831 176.117 0.352 0.000 1.003 879 I CA -1.066 60.412 61.300 0.296 0.000 1.127 879 I CB 1.891 40.044 38.000 0.256 0.000 1.304 879 I HN 0.744 nan 8.210 nan 0.000 0.446 880 Y N 2.320 122.738 120.300 0.198 0.000 2.592 880 Y HA 0.408 4.958 4.550 -0.000 0.000 0.334 880 Y C -0.590 175.433 175.900 0.204 0.000 1.136 880 Y CA -0.724 57.489 58.100 0.188 0.000 1.042 880 Y CB 2.094 40.684 38.460 0.216 0.000 1.325 880 Y HN 0.771 nan 8.280 nan 0.000 0.457 881 S N 2.398 117.869 115.700 -0.382 0.000 2.563 881 S HA 0.044 4.514 4.470 -0.000 0.000 0.294 881 S C -0.401 174.325 174.600 0.210 0.000 1.279 881 S CA -0.101 58.018 58.200 -0.135 0.000 1.069 881 S CB -0.443 62.580 63.200 -0.294 0.000 0.828 881 S HN 0.623 nan 8.310 nan 0.000 0.497 882 c N 5.621 124.346 118.600 0.208 0.000 2.648 882 c HA 0.167 4.737 4.570 -0.000 0.000 0.419 882 c C 1.520 175.806 174.090 0.326 0.000 1.352 882 c CA -0.458 56.017 56.329 0.244 0.000 1.816 882 c CB -1.090 41.505 42.510 0.142 0.000 2.598 882 c HN 1.085 nan 8.230 nan 0.000 0.598 883 W N 1.152 122.526 121.300 0.123 0.000 1.857 883 W HA 0.377 5.037 4.660 0.000 0.000 0.244 883 W C 0.699 177.262 176.519 0.074 0.000 0.859 883 W CA 0.199 57.602 57.345 0.097 0.000 1.112 883 W CB -0.736 28.802 29.460 0.129 0.000 0.967 883 W HN 0.923 nan 8.180 nan 0.000 0.524 884 G N 1.429 109.980 108.800 -0.415 0.000 2.159 884 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.227 884 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.227 884 G C 0.542 174.961 174.900 -0.801 0.000 0.986 884 G CA -0.195 44.637 45.100 -0.447 0.000 0.651 884 G HN 0.644 nan 8.290 nan 0.000 0.523 885 G N -0.391 107.431 108.800 -1.630 0.000 2.527 885 G HA2 0.438 4.398 3.960 -0.000 0.000 0.248 885 G HA3 0.438 4.398 3.960 -0.000 0.000 0.248 885 G C 0.612 175.146 174.900 -0.609 0.000 1.231 885 G CA 0.362 44.653 45.100 -1.348 0.000 0.838 885 G HN 0.060 nan 8.290 nan 0.000 0.570 886 D N 0.218 120.391 120.400 -0.378 0.000 2.310 886 D HA -0.129 4.511 4.640 -0.000 0.000 0.212 886 D C 1.975 178.068 176.300 -0.343 0.000 0.965 886 D CA 0.779 54.602 54.000 -0.294 0.000 0.879 886 D CB 0.182 40.866 40.800 -0.193 0.000 0.921 886 D HN 0.592 nan 8.370 nan 0.000 0.510 887 N N 0.208 118.730 118.700 -0.296 0.000 2.461 887 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 887 N C 0.777 176.097 175.510 -0.317 0.000 1.134 887 N CA 0.247 53.130 53.050 -0.280 0.000 0.878 887 N CB 0.035 38.465 38.487 -0.096 0.000 0.972 887 N HN 0.258 nan 8.380 nan 0.000 0.456 888 Q N -0.460 119.140 119.800 -0.334 0.000 2.159 888 Q HA 0.246 4.586 4.340 -0.000 0.000 0.217 888 Q C -0.623 175.226 176.000 -0.253 0.000 0.818 888 Q CA -0.180 55.537 55.803 -0.144 0.000 1.008 888 Q CB 0.818 29.502 28.738 -0.090 0.000 1.148 888 Q HN 0.040 nan 8.270 nan 0.000 0.491 889 K N 0.490 120.535 120.400 -0.592 0.000 2.221 889 K HA 0.447 4.767 4.320 -0.000 0.000 0.258 889 K C -1.509 174.626 176.600 -0.775 0.000 0.944 889 K CA 0.039 56.056 56.287 -0.450 0.000 0.823 889 K CB 0.994 33.314 32.500 -0.300 0.000 1.113 889 K HN -0.042 nan 8.250 nan 0.000 0.431 890 W N 1.550 122.887 121.300 0.061 0.000 3.032 890 W HA 0.521 5.181 4.660 -0.000 0.000 0.335 890 W C -0.313 176.287 176.519 0.135 0.000 1.154 890 W CA -0.811 56.573 57.345 0.065 0.000 1.204 890 W CB 1.315 30.790 29.460 0.026 0.000 1.416 890 W HN 0.135 nan 8.180 nan 0.000 0.521 891 R N 2.255 122.914 120.500 0.264 0.000 2.387 891 R HA 0.523 4.863 4.340 -0.000 0.000 0.314 891 R C -0.821 175.528 176.300 0.081 0.000 0.958 891 R CA -0.921 55.285 56.100 0.176 0.000 0.846 891 R CB 1.230 31.588 30.300 0.097 0.000 1.147 891 R HN 0.419 nan 8.270 nan 0.000 0.447 892 L N 4.242 125.452 121.223 -0.021 0.000 2.315 892 L HA 0.271 4.611 4.340 -0.000 0.000 0.278 892 L C -0.058 176.788 176.870 -0.040 0.000 1.088 892 L CA -0.736 54.025 54.840 -0.131 0.000 0.899 892 L CB 0.061 41.894 42.059 -0.375 0.000 1.277 892 L HN 0.444 nan 8.230 nan 0.000 0.431 893 N N 0.796 119.498 118.700 0.004 0.000 2.453 893 N HA -0.016 4.724 4.740 -0.000 0.000 0.253 893 N C 1.273 176.787 175.510 0.007 0.000 1.252 893 N CA 0.128 53.189 53.050 0.019 0.000 0.917 893 N CB 1.267 39.775 38.487 0.035 0.000 1.117 893 N HN 0.520 nan 8.380 nan 0.000 0.442 894 S N -0.228 115.476 115.700 0.006 0.000 2.447 894 S HA -0.174 4.296 4.470 -0.000 0.000 0.233 894 S C 0.903 175.504 174.600 0.003 0.000 1.006 894 S CA 0.944 59.144 58.200 0.000 0.000 0.957 894 S CB -0.214 62.984 63.200 -0.003 0.000 0.773 894 S HN 0.711 nan 8.310 nan 0.000 0.507 895 D N 0.896 121.302 120.400 0.009 0.000 2.352 895 D HA 0.209 4.849 4.640 -0.000 0.000 0.232 895 D C 1.406 177.713 176.300 0.012 0.000 1.055 895 D CA 0.627 54.631 54.000 0.007 0.000 0.891 895 D CB -0.822 39.984 40.800 0.010 0.000 0.897 895 D HN 0.557 nan 8.370 nan 0.000 0.529 896 G N -0.042 108.772 108.800 0.023 0.000 2.199 896 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 896 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 896 G C 0.408 175.380 174.900 0.121 0.000 0.982 896 G CA 0.441 45.568 45.100 0.046 0.000 0.632 896 G HN 0.853 nan 8.290 nan 0.000 0.529 897 S N -0.209 115.554 115.700 0.106 0.000 2.601 897 S HA 0.743 5.213 4.470 -0.000 0.000 0.271 897 S C 0.038 174.712 174.600 0.124 0.000 1.305 897 S CA -0.580 57.720 58.200 0.168 0.000 1.022 897 S CB 1.899 65.166 63.200 0.113 0.000 0.940 897 S HN 0.613 nan 8.310 nan 0.000 0.525 898 I N 2.303 122.945 120.570 0.120 0.000 2.420 898 I HA 0.320 4.490 4.170 -0.000 0.000 0.282 898 I C -1.001 175.196 176.117 0.133 0.000 1.019 898 I CA -0.858 60.448 61.300 0.009 0.000 1.130 898 I CB 1.689 39.523 38.000 -0.276 0.000 1.262 898 I HN 0.412 nan 8.210 nan 0.000 0.454 899 V N 4.754 124.773 119.914 0.175 0.000 2.472 899 V HA 0.503 4.623 4.120 -0.000 0.000 0.290 899 V C 0.812 177.040 176.094 0.223 0.000 1.037 899 V CA -0.660 61.752 62.300 0.185 0.000 0.908 899 V CB 1.647 33.519 31.823 0.082 0.000 0.985 899 V HN 0.838 nan 8.190 nan 0.000 0.454 900 G N 2.545 111.414 108.800 0.114 0.000 2.349 900 G HA2 0.379 4.339 3.960 -0.000 0.000 0.281 900 G HA3 0.379 4.339 3.960 -0.000 0.000 0.281 900 G C 0.899 175.624 174.900 -0.293 0.000 1.182 900 G CA -0.296 44.587 45.100 -0.362 0.000 0.899 900 G HN 0.559 nan 8.290 nan 0.000 0.455 901 V N 2.275 121.971 119.914 -0.362 0.000 2.282 901 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 901 V C 2.873 178.846 176.094 -0.201 0.000 1.057 901 V CA 2.501 64.661 62.300 -0.234 0.000 1.032 901 V CB -0.583 31.101 31.823 -0.232 0.000 0.645 901 V HN 0.867 nan 8.190 nan 0.000 0.447 902 Q N 0.034 119.684 119.800 -0.250 0.000 2.079 902 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 902 Q C 2.385 178.312 176.000 -0.122 0.000 0.974 902 Q CA 2.163 57.865 55.803 -0.169 0.000 0.840 902 Q CB -0.061 28.571 28.738 -0.177 0.000 0.898 902 Q HN 0.790 nan 8.270 nan 0.000 0.430 903 S N -1.908 113.711 115.700 -0.135 0.000 2.439 903 S HA 0.166 4.636 4.470 -0.000 0.000 0.224 903 S C 1.485 176.050 174.600 -0.060 0.000 1.029 903 S CA 0.690 58.843 58.200 -0.078 0.000 0.946 903 S CB 0.365 63.531 63.200 -0.056 0.000 0.797 903 S HN 0.659 nan 8.310 nan 0.000 0.504 904 G N 0.603 109.362 108.800 -0.068 0.000 2.159 904 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.256 904 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.256 904 G C -0.215 174.677 174.900 -0.014 0.000 0.977 904 G CA 0.377 45.450 45.100 -0.044 0.000 0.652 904 G HN 0.468 nan 8.290 nan 0.000 0.531 905 L N 0.117 121.344 121.223 0.007 0.000 2.387 905 L HA 0.728 5.068 4.340 -0.000 0.000 0.266 905 L C 1.011 177.950 176.870 0.115 0.000 1.059 905 L CA -0.805 54.063 54.840 0.047 0.000 0.801 905 L CB 1.337 43.428 42.059 0.054 0.000 1.223 905 L HN 0.216 nan 8.230 nan 0.000 0.456 906 c N 1.251 119.933 118.600 0.136 0.000 2.364 906 c HA 0.458 5.028 4.570 -0.000 0.000 0.356 906 c C 0.372 174.586 174.090 0.208 0.000 1.201 906 c CA -1.134 55.302 56.329 0.178 0.000 2.227 906 c CB 0.734 43.343 42.510 0.165 0.000 2.387 906 c HN 0.517 nan 8.230 nan 0.000 0.546 907 L N 3.443 124.769 121.223 0.172 0.000 2.477 907 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 907 L C 0.179 177.234 176.870 0.308 0.000 1.157 907 L CA 0.963 55.853 54.840 0.084 0.000 0.889 907 L CB 0.021 41.884 42.059 -0.327 0.000 1.158 907 L HN 0.685 nan 8.230 nan 0.000 0.473 908 D N 3.573 124.124 120.400 0.251 0.000 2.757 908 D HA 0.362 5.002 4.640 -0.000 0.000 0.249 908 D C -0.785 175.628 176.300 0.187 0.000 1.168 908 D CA -0.498 53.647 54.000 0.241 0.000 0.870 908 D CB 2.215 43.130 40.800 0.191 0.000 1.411 908 D HN 0.489 nan 8.370 nan 0.000 0.525 909 A N 3.974 126.893 122.820 0.165 0.000 2.410 909 A HA 0.378 4.698 4.320 -0.000 0.000 0.292 909 A C 0.559 178.151 177.584 0.013 0.000 1.232 909 A CA -0.476 51.623 52.037 0.103 0.000 0.893 909 A CB 0.050 19.076 19.000 0.043 0.000 1.131 909 A HN 0.459 nan 8.150 nan 0.000 0.530 910 V N 2.863 122.778 119.914 0.003 0.000 2.790 910 V HA 0.122 4.242 4.120 -0.000 0.000 0.304 910 V C 1.804 177.860 176.094 -0.065 0.000 1.142 910 V CA 1.765 64.034 62.300 -0.052 0.000 1.282 910 V CB -0.342 31.464 31.823 -0.027 0.000 0.877 910 V HN 1.881 nan 8.190 nan 0.000 0.504 911 G N 3.602 112.336 108.800 -0.110 0.000 2.244 911 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.274 911 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.274 911 G C 1.225 176.084 174.900 -0.069 0.000 1.002 911 G CA 0.918 45.964 45.100 -0.089 0.000 0.740 911 G HN 2.533 nan 8.290 nan 0.000 0.516 912 G N -1.639 107.118 108.800 -0.071 0.000 2.175 912 G HA2 0.130 4.090 3.960 -0.000 0.000 0.265 912 G HA3 0.130 4.090 3.960 -0.000 0.000 0.265 912 G C 1.518 176.385 174.900 -0.054 0.000 0.979 912 G CA 0.960 46.021 45.100 -0.064 0.000 0.663 912 G HN 2.173 nan 8.290 nan 0.000 0.533 913 G N -0.897 107.880 108.800 -0.039 0.000 2.670 913 G HA2 0.445 4.405 3.960 -0.000 0.000 0.233 913 G HA3 0.445 4.405 3.960 -0.000 0.000 0.233 913 G C 1.083 175.965 174.900 -0.030 0.000 1.251 913 G CA 1.254 46.339 45.100 -0.025 0.000 0.849 913 G HN 1.510 nan 8.290 nan 0.000 0.588 914 T N -2.451 112.088 114.554 -0.025 0.000 3.046 914 T HA 0.574 4.924 4.350 -0.000 0.000 0.270 914 T C 0.916 175.605 174.700 -0.019 0.000 0.920 914 T CA 0.712 62.792 62.100 -0.034 0.000 0.874 914 T CB 0.154 68.993 68.868 -0.049 0.000 1.214 914 T HN 1.051 nan 8.240 nan 0.000 0.536 915 A N 2.120 124.937 122.820 -0.006 0.000 2.287 915 A HA 0.600 4.920 4.320 -0.000 0.000 0.273 915 A C 0.307 177.908 177.584 0.028 0.000 1.091 915 A CA -0.700 51.336 52.037 -0.002 0.000 0.817 915 A CB 0.106 19.107 19.000 0.001 0.000 1.069 915 A HN 0.400 nan 8.150 nan 0.000 0.492 916 N N -0.292 118.423 118.700 0.024 0.000 2.329 916 N HA 0.219 4.959 4.740 -0.000 0.000 0.237 916 N C 1.218 176.825 175.510 0.161 0.000 1.258 916 N CA 1.788 54.907 53.050 0.114 0.000 0.866 916 N CB 0.564 39.104 38.487 0.087 0.000 1.102 916 N HN 1.328 nan 8.380 nan 0.000 0.440 917 G N 0.307 109.240 108.800 0.222 0.000 2.199 917 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 917 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 917 G C 0.173 175.135 174.900 0.103 0.000 0.982 917 G CA 0.488 45.675 45.100 0.146 0.000 0.632 917 G HN 0.627 nan 8.290 nan 0.000 0.529 918 T N 2.433 117.045 114.554 0.097 0.000 2.867 918 T HA 0.438 4.788 4.350 -0.000 0.000 0.297 918 T C 0.965 175.713 174.700 0.081 0.000 0.989 918 T CA 0.199 62.342 62.100 0.072 0.000 1.159 918 T CB 0.851 69.755 68.868 0.060 0.000 0.928 918 T HN 0.374 nan 8.240 nan 0.000 0.538 919 L N 3.722 124.982 121.223 0.062 0.000 2.399 919 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 919 L C 0.232 177.139 176.870 0.062 0.000 1.114 919 L CA -1.025 53.851 54.840 0.060 0.000 0.804 919 L CB 0.514 42.601 42.059 0.047 0.000 1.146 919 L HN 0.392 nan 8.230 nan 0.000 0.451 920 I N 1.814 122.415 120.570 0.052 0.000 2.377 920 I HA 0.341 4.511 4.170 -0.000 0.000 0.293 920 I C 0.013 176.155 176.117 0.041 0.000 0.987 920 I CA -0.286 61.041 61.300 0.044 0.000 1.185 920 I CB 1.404 39.383 38.000 -0.034 0.000 1.341 920 I HN 0.741 nan 8.210 nan 0.000 0.455 921 Q N 5.649 125.487 119.800 0.065 0.000 2.882 921 Q HA 0.774 5.114 4.340 -0.000 0.000 0.315 921 Q C -1.593 174.487 176.000 0.134 0.000 1.004 921 Q CA -1.050 54.806 55.803 0.089 0.000 0.777 921 Q CB 2.361 31.147 28.738 0.079 0.000 1.506 921 Q HN 0.434 nan 8.270 nan 0.000 0.489 922 L N 1.203 122.528 121.223 0.169 0.000 2.307 922 L HA 0.638 4.978 4.340 -0.000 0.000 0.284 922 L C -1.428 175.607 176.870 0.275 0.000 1.023 922 L CA -0.843 54.118 54.840 0.202 0.000 0.810 922 L CB 1.089 43.250 42.059 0.170 0.000 1.231 922 L HN 0.616 nan 8.230 nan 0.000 0.423 923 Y N 0.720 121.066 120.300 0.076 0.000 2.597 923 Y HA 0.287 4.837 4.550 -0.000 0.000 0.340 923 Y C 0.057 175.988 175.900 0.052 0.000 1.097 923 Y CA -0.954 57.180 58.100 0.057 0.000 1.037 923 Y CB 2.076 40.569 38.460 0.054 0.000 1.305 923 Y HN 0.513 nan 8.280 nan 0.000 0.463 924 S N 1.877 117.303 115.700 -0.456 0.000 2.593 924 S HA 0.003 4.473 4.470 -0.000 0.000 0.300 924 S C -0.442 174.124 174.600 -0.057 0.000 1.267 924 S CA -0.047 57.993 58.200 -0.267 0.000 1.065 924 S CB -0.471 62.496 63.200 -0.388 0.000 0.807 924 S HN 0.600 nan 8.310 nan 0.000 0.499 925 c N 3.893 122.489 118.600 -0.005 0.000 2.651 925 c HA 0.287 4.857 4.570 -0.000 0.000 0.410 925 c C 1.806 175.916 174.090 0.033 0.000 1.372 925 c CA -0.309 56.046 56.329 0.044 0.000 1.707 925 c CB -0.705 41.828 42.510 0.038 0.000 2.501 925 c HN 1.013 nan 8.230 nan 0.000 0.598 926 S N 1.220 116.955 115.700 0.059 0.000 2.733 926 S HA 0.115 4.585 4.470 -0.000 0.000 0.247 926 S C 0.546 175.164 174.600 0.030 0.000 1.043 926 S CA 0.123 58.349 58.200 0.044 0.000 1.066 926 S CB -0.762 62.481 63.200 0.071 0.000 1.045 926 S HN 0.933 nan 8.310 nan 0.000 0.586 927 N N 0.830 119.549 118.700 0.031 0.000 2.708 927 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 927 N C 0.564 176.068 175.510 -0.010 0.000 1.123 927 N CA 0.120 53.177 53.050 0.012 0.000 0.739 927 N CB -1.334 37.156 38.487 0.005 0.000 1.113 927 N HN 0.717 nan 8.380 nan 0.000 0.561 928 G N -0.503 108.294 108.800 -0.005 0.000 2.684 928 G HA2 0.203 4.163 3.960 -0.000 0.000 0.255 928 G HA3 0.203 4.163 3.960 -0.000 0.000 0.255 928 G C 0.998 175.849 174.900 -0.081 0.000 1.219 928 G CA 0.229 45.310 45.100 -0.030 0.000 0.901 928 G HN 0.438 nan 8.290 nan 0.000 0.548 929 S N -0.388 115.250 115.700 -0.104 0.000 2.453 929 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 929 S C 1.565 176.010 174.600 -0.259 0.000 1.005 929 S CA 1.063 59.165 58.200 -0.162 0.000 0.949 929 S CB -0.215 62.904 63.200 -0.134 0.000 0.774 929 S HN 0.730 nan 8.310 nan 0.000 0.510 930 N N 1.032 119.605 118.700 -0.212 0.000 2.362 930 N HA 0.059 4.799 4.740 -0.000 0.000 0.211 930 N C 0.576 175.934 175.510 -0.254 0.000 1.170 930 N CA -0.073 52.817 53.050 -0.267 0.000 0.828 930 N CB -0.114 38.289 38.487 -0.140 0.000 1.034 930 N HN 0.610 nan 8.380 nan 0.000 0.475 931 Q N -0.378 119.269 119.800 -0.256 0.000 2.081 931 Q HA 0.258 4.598 4.340 -0.000 0.000 0.220 931 Q C -0.367 175.542 176.000 -0.150 0.000 0.775 931 Q CA -0.249 55.530 55.803 -0.040 0.000 0.983 931 Q CB 1.374 30.159 28.738 0.078 0.000 1.188 931 Q HN 0.232 nan 8.270 nan 0.000 0.458 932 R N 0.256 120.466 120.500 -0.484 0.000 2.460 932 R HA 0.454 4.794 4.340 -0.000 0.000 0.303 932 R C -1.362 174.521 176.300 -0.695 0.000 0.968 932 R CA -0.151 55.739 56.100 -0.350 0.000 0.889 932 R CB 1.055 31.231 30.300 -0.207 0.000 1.123 932 R HN -0.072 nan 8.270 nan 0.000 0.455 933 W N 0.027 121.278 121.300 -0.082 0.000 2.950 933 W HA 0.401 5.061 4.660 0.000 0.000 0.340 933 W C -0.054 176.411 176.519 -0.090 0.000 1.139 933 W CA -0.756 56.529 57.345 -0.099 0.000 1.188 933 W CB 1.823 31.195 29.460 -0.146 0.000 1.426 933 W HN 0.313 nan 8.180 nan 0.000 0.531 934 T N 1.411 116.046 114.554 0.134 0.000 2.876 934 T HA 0.604 4.954 4.350 -0.000 0.000 0.289 934 T C -0.761 173.970 174.700 0.053 0.000 1.014 934 T CA -0.834 61.301 62.100 0.058 0.000 0.986 934 T CB 0.790 69.669 68.868 0.020 0.000 1.021 934 T HN 0.456 nan 8.240 nan 0.000 0.458 935 R N 2.887 123.400 120.500 0.023 0.000 2.265 935 R HA 0.568 4.907 4.340 -0.000 0.000 0.319 935 R C 0.357 176.671 176.300 0.024 0.000 1.006 935 R CA -0.608 55.502 56.100 0.017 0.000 0.880 935 R CB 1.314 31.611 30.300 -0.005 0.000 1.077 935 R HN 0.850 nan 8.270 nan 0.000 0.454 936 T N 0.000 114.574 114.554 0.033 0.000 3.816 936 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 936 T CA 0.000 62.119 62.100 0.031 0.000 1.349 936 T CB 0.000 68.887 68.868 0.032 0.000 0.612 936 T HN 0.000 nan 8.240 nan 0.000 0.658