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 2h9f_1_A DATA FIRST_RESID 2 DATA SEQUENCE AHPPQIRIPA TYLRGGTSKG VFFRLEDLPE SCRVPGEARD RLFXRVIGSP DATA SEQUENCE DPYAAHIDGX GGATSSTSKC VILSKSSQPG HDVDYLYGQV SIDKPFVDWS DATA SEQUENCE GNCGNLSTGA GAFALHAGLV DPARIPEDGI CEVRIWQANI GKTIIAHVPV DATA SEQUENCE SGGQVQETGD FELDGVTFPA AEIVLEFLDP SXXXXDGGAI FPTGNLVDDL DATA SEQUENCE EVPGVGTFKA TXINAGIPTV FVNAEEIGYR GTELREEING DPQQLARFER DATA SEQUENCE IRVAGALRXG LIKTPEEAAT RQHTPKIAFV APPRDYRTAS GKLVAAGDID DATA SEQUENCE LLVRALSXGK LHHAXXGTAA VAIGTAAAIP GTLVNLAAGG GERSAVRFGH DATA SEQUENCE PSGTLRVGAE ASQANGEWTV TKAIXSRSAR ILXEGWVRVP GDAF 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.275 177.584 -0.515 0.000 1.274 2 A CA 0.000 51.898 52.037 -0.232 0.000 0.836 2 A CB 0.000 18.915 19.000 -0.142 0.000 0.831 3 H N 1.469 120.538 119.070 -0.002 0.000 2.716 3 H HA 0.521 5.077 4.556 -0.000 0.000 0.260 3 H C -2.630 172.699 175.328 0.002 0.000 1.280 3 H CA -1.224 54.825 56.048 0.001 0.000 1.506 3 H CB 0.623 30.389 29.762 0.006 0.000 1.514 3 H HN 0.324 nan 8.280 nan 0.000 0.502 4 P HA 0.114 nan 4.420 nan 0.000 0.271 4 P C -2.232 175.105 177.300 0.062 0.000 1.244 4 P CA -1.153 61.971 63.100 0.040 0.000 0.793 4 P CB 0.198 31.903 31.700 0.007 0.000 0.984 5 P HA 0.111 nan 4.420 nan 0.000 0.272 5 P C -0.408 176.928 177.300 0.060 0.000 1.240 5 P CA -0.253 62.875 63.100 0.047 0.000 0.791 5 P CB 0.380 32.097 31.700 0.029 0.000 0.978 6 Q N 0.081 119.920 119.800 0.065 0.000 2.454 6 Q HA 0.163 4.503 4.340 -0.000 0.000 0.247 6 Q C 0.026 176.082 176.000 0.093 0.000 1.028 6 Q CA -0.240 55.616 55.803 0.088 0.000 0.910 6 Q CB 0.291 29.079 28.738 0.083 0.000 1.276 6 Q HN 0.312 nan 8.270 nan 0.000 0.489 7 I N 2.060 122.714 120.570 0.139 0.000 2.474 7 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 7 I C 0.440 176.650 176.117 0.154 0.000 1.048 7 I CA 0.126 61.522 61.300 0.159 0.000 1.383 7 I CB 0.587 38.739 38.000 0.253 0.000 1.412 7 I HN 0.438 nan 8.210 nan 0.000 0.531 8 R N 6.845 127.426 120.500 0.135 0.000 2.229 8 R HA 0.628 4.967 4.340 -0.000 0.000 0.332 8 R C -0.813 175.687 176.300 0.333 0.000 0.989 8 R CA -0.567 55.641 56.100 0.180 0.000 0.842 8 R CB 1.245 31.531 30.300 -0.025 0.000 1.119 8 R HN 0.471 nan 8.270 nan 0.000 0.456 9 I N 4.617 125.429 120.570 0.405 0.000 2.382 9 I HA 0.281 4.451 4.170 -0.000 0.000 0.286 9 I C -2.195 174.167 176.117 0.409 0.000 1.002 9 I CA -2.854 58.692 61.300 0.411 0.000 1.135 9 I CB 1.947 40.163 38.000 0.360 0.000 1.288 9 I HN 0.222 nan 8.210 nan 0.000 0.448 10 P HA 0.133 nan 4.420 nan 0.000 0.262 10 P C -0.676 176.631 177.300 0.011 0.000 1.182 10 P CA 0.216 63.268 63.100 -0.080 0.000 0.761 10 P CB 0.674 32.347 31.700 -0.045 0.000 0.795 11 A N 2.655 125.381 122.820 -0.157 0.000 2.610 11 A HA 0.778 5.098 4.320 -0.000 0.000 0.291 11 A C -1.114 176.363 177.584 -0.178 0.000 1.086 11 A CA -0.412 51.448 52.037 -0.295 0.000 0.677 11 A CB 1.215 19.910 19.000 -0.509 0.000 1.278 11 A HN 0.357 nan 8.150 nan 0.000 0.414 12 T N 0.865 115.297 114.554 -0.203 0.000 2.881 12 T HA 0.514 4.864 4.350 -0.000 0.000 0.290 12 T C -1.699 172.926 174.700 -0.125 0.000 1.000 12 T CA -0.104 61.917 62.100 -0.131 0.000 0.978 12 T CB 1.016 69.855 68.868 -0.048 0.000 0.997 12 T HN 0.585 nan 8.240 nan 0.000 0.443 13 Y N 3.813 123.992 120.300 -0.202 0.000 2.342 13 Y HA 0.690 5.240 4.550 -0.000 0.000 0.338 13 Y C -1.475 174.332 175.900 -0.154 0.000 0.965 13 Y CA -1.418 56.598 58.100 -0.139 0.000 1.159 13 Y CB 0.305 38.705 38.460 -0.101 0.000 1.157 13 Y HN 0.524 nan 8.280 nan 0.000 0.486 14 L N 5.644 126.607 121.223 -0.434 0.000 2.354 14 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 14 L C -0.460 176.154 176.870 -0.426 0.000 1.008 14 L CA -0.952 53.612 54.840 -0.461 0.000 0.819 14 L CB 2.042 43.718 42.059 -0.640 0.000 1.339 14 L HN 0.502 nan 8.230 nan 0.000 0.420 15 R N 0.730 121.039 120.500 -0.317 0.000 2.265 15 R HA 0.639 4.978 4.340 -0.000 0.000 0.314 15 R C -0.482 175.735 176.300 -0.138 0.000 1.053 15 R CA -0.286 55.697 56.100 -0.194 0.000 0.931 15 R CB 0.911 31.135 30.300 -0.126 0.000 1.024 15 R HN 0.814 nan 8.270 nan 0.000 0.457 16 G N 2.520 111.279 108.800 -0.069 0.000 2.605 16 G HA2 0.488 4.447 3.960 -0.000 0.000 0.304 16 G HA3 0.488 4.447 3.960 -0.000 0.000 0.304 16 G C 0.300 175.203 174.900 0.004 0.000 1.333 16 G CA -0.010 45.072 45.100 -0.031 0.000 0.973 16 G HN 0.970 nan 8.290 nan 0.000 0.507 17 G N 2.415 111.225 108.800 0.018 0.000 2.629 17 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.313 17 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.313 17 G C 1.285 176.201 174.900 0.028 0.000 1.217 17 G CA 1.559 46.685 45.100 0.043 0.000 0.994 17 G HN 1.888 nan 8.290 nan 0.000 0.549 18 T N -2.082 112.487 114.554 0.025 0.000 3.214 18 T HA 0.664 5.013 4.350 -0.000 0.000 0.264 18 T C 0.421 175.129 174.700 0.014 0.000 1.012 18 T CA 0.905 63.016 62.100 0.019 0.000 0.901 18 T CB 0.288 69.171 68.868 0.024 0.000 1.070 18 T HN 0.806 nan 8.240 nan 0.000 0.561 19 S N 0.655 116.359 115.700 0.007 0.000 2.634 19 S HA 0.629 5.098 4.470 -0.000 0.000 0.296 19 S C -0.699 173.891 174.600 -0.017 0.000 1.104 19 S CA -1.029 57.176 58.200 0.007 0.000 0.920 19 S CB 2.061 65.266 63.200 0.008 0.000 1.111 19 S HN 0.311 nan 8.310 nan 0.000 0.493 20 K N 0.498 120.888 120.400 -0.018 0.000 2.259 20 K HA 0.733 5.053 4.320 -0.000 0.000 0.252 20 K C -0.298 176.297 176.600 -0.007 0.000 0.936 20 K CA -0.780 55.439 56.287 -0.113 0.000 0.810 20 K CB 2.047 34.444 32.500 -0.171 0.000 1.143 20 K HN 0.741 nan 8.250 nan 0.000 0.427 21 G N 0.403 109.204 108.800 0.002 0.000 2.690 21 G HA2 0.473 4.433 3.960 -0.000 0.000 0.293 21 G HA3 0.473 4.433 3.960 -0.000 0.000 0.293 21 G C -1.449 173.572 174.900 0.201 0.000 1.399 21 G CA -0.536 44.620 45.100 0.093 0.000 0.890 21 G HN 0.293 nan 8.290 nan 0.000 0.485 22 V N 0.932 120.890 119.914 0.073 0.000 2.370 22 V HA 0.502 4.622 4.120 -0.000 0.000 0.279 22 V C -0.882 175.017 176.094 -0.325 0.000 1.029 22 V CA -0.479 61.810 62.300 -0.018 0.000 0.870 22 V CB 0.605 32.361 31.823 -0.112 0.000 0.984 22 V HN 0.477 nan 8.190 nan 0.000 0.451 23 F N 4.805 124.375 119.950 -0.633 0.000 2.443 23 F HA 0.723 5.250 4.527 -0.000 0.000 0.335 23 F C -0.228 175.047 175.800 -0.875 0.000 1.104 23 F CA -0.766 56.763 58.000 -0.786 0.000 1.013 23 F CB 1.472 39.657 39.000 -1.359 0.000 1.136 23 F HN 0.291 nan 8.300 nan 0.000 0.470 24 F N 1.673 121.606 119.950 -0.028 0.000 2.551 24 F HA 0.576 5.102 4.527 -0.000 0.000 0.316 24 F C 0.107 176.175 175.800 0.447 0.000 1.089 24 F CA -1.228 56.904 58.000 0.220 0.000 0.915 24 F CB 1.556 40.671 39.000 0.192 0.000 1.186 24 F HN 0.228 nan 8.300 nan 0.000 0.456 25 R N 2.379 123.262 120.500 0.639 0.000 2.438 25 R HA 0.202 4.542 4.340 -0.000 0.000 0.287 25 R C 1.020 177.517 176.300 0.328 0.000 1.077 25 R CA -0.593 55.761 56.100 0.422 0.000 1.034 25 R CB 0.743 31.186 30.300 0.238 0.000 0.993 25 R HN 0.687 nan 8.270 nan 0.000 0.459 26 L N 3.682 125.055 121.223 0.249 0.000 2.013 26 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 26 L C 2.198 179.145 176.870 0.128 0.000 1.073 26 L CA 2.084 57.026 54.840 0.169 0.000 0.753 26 L CB -0.533 41.599 42.059 0.121 0.000 0.890 26 L HN 0.793 nan 8.230 nan 0.000 0.432 27 E N -1.922 118.348 120.200 0.118 0.000 2.265 27 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 27 E C 1.021 177.688 176.600 0.113 0.000 0.996 27 E CA 1.335 57.791 56.400 0.093 0.000 0.832 27 E CB -0.500 29.244 29.700 0.073 0.000 0.756 27 E HN 0.530 nan 8.360 nan 0.000 0.491 28 D N 0.794 121.289 120.400 0.158 0.000 2.355 28 D HA 0.110 4.749 4.640 -0.000 0.000 0.218 28 D C 0.582 176.994 176.300 0.187 0.000 1.004 28 D CA 0.305 54.418 54.000 0.187 0.000 0.880 28 D CB 0.130 41.075 40.800 0.240 0.000 0.911 28 D HN 0.220 nan 8.370 nan 0.000 0.528 29 L N 1.339 122.643 121.223 0.136 0.000 2.418 29 L HA 0.244 4.584 4.340 -0.000 0.000 0.265 29 L C -1.978 174.917 176.870 0.042 0.000 1.143 29 L CA -1.857 53.012 54.840 0.048 0.000 0.809 29 L CB 0.320 42.354 42.059 -0.042 0.000 1.124 29 L HN -0.290 nan 8.230 nan 0.000 0.456 30 P HA -0.083 nan 4.420 nan 0.000 0.266 30 P C 0.390 177.722 177.300 0.053 0.000 1.193 30 P CA 0.141 63.289 63.100 0.080 0.000 0.770 30 P CB 0.513 32.312 31.700 0.165 0.000 0.836 31 E N 1.791 122.031 120.200 0.066 0.000 2.085 31 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 31 E C 1.594 178.207 176.600 0.022 0.000 0.994 31 E CA 1.880 58.302 56.400 0.038 0.000 0.801 31 E CB -0.163 29.559 29.700 0.037 0.000 0.743 31 E HN 0.533 nan 8.360 nan 0.000 0.453 32 S N -0.562 115.167 115.700 0.048 0.000 2.442 32 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 32 S C 1.888 176.478 174.600 -0.017 0.000 1.007 32 S CA 1.074 59.293 58.200 0.031 0.000 0.965 32 S CB -0.402 62.843 63.200 0.076 0.000 0.773 32 S HN 0.370 nan 8.310 nan 0.000 0.504 33 C N 1.450 120.720 119.300 -0.050 0.000 2.673 33 C HA 0.412 4.872 4.460 -0.000 0.000 0.274 33 C C 2.074 176.966 174.990 -0.163 0.000 1.276 33 C CA -0.647 58.268 59.018 -0.172 0.000 1.701 33 C CB -1.439 26.118 27.740 -0.305 0.000 1.836 33 C HN 0.561 nan 8.230 nan 0.000 0.596 34 R N 0.875 121.321 120.500 -0.090 0.000 2.317 34 R HA 0.152 4.492 4.340 -0.000 0.000 0.208 34 R C 0.427 176.678 176.300 -0.081 0.000 0.914 34 R CA 0.336 56.397 56.100 -0.065 0.000 1.060 34 R CB 0.195 30.482 30.300 -0.022 0.000 1.015 34 R HN 0.532 nan 8.270 nan 0.000 0.498 35 V N -2.389 117.459 119.914 -0.110 0.000 3.001 35 V HA 0.594 4.714 4.120 -0.000 0.000 0.314 35 V C -2.772 173.202 176.094 -0.200 0.000 1.099 35 V CA -3.344 58.878 62.300 -0.131 0.000 0.989 35 V CB 2.014 33.779 31.823 -0.095 0.000 1.040 35 V HN -0.179 nan 8.190 nan 0.000 0.434 36 P HA 0.590 nan 4.420 nan 0.000 0.269 36 P C 0.216 177.375 177.300 -0.234 0.000 1.209 36 P CA 0.880 63.775 63.100 -0.342 0.000 0.776 36 P CB 0.729 32.198 31.700 -0.385 0.000 0.876 37 G N 0.946 109.611 108.800 -0.224 0.000 2.324 37 G HA2 0.114 4.074 3.960 -0.000 0.000 0.293 37 G HA3 0.114 4.074 3.960 -0.000 0.000 0.293 37 G C 0.289 175.135 174.900 -0.090 0.000 1.297 37 G CA -0.316 44.707 45.100 -0.128 0.000 0.853 37 G HN 0.364 nan 8.290 nan 0.000 0.535 38 E N -0.133 120.038 120.200 -0.048 0.000 2.077 38 E HA 0.028 4.377 4.350 -0.000 0.000 0.193 38 E C 2.637 179.228 176.600 -0.015 0.000 0.989 38 E CA 2.796 59.185 56.400 -0.018 0.000 0.800 38 E CB -0.353 29.346 29.700 -0.002 0.000 0.746 38 E HN 0.900 nan 8.360 nan 0.000 0.452 39 A N 1.020 123.832 122.820 -0.013 0.000 1.908 39 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 39 A C 2.310 179.856 177.584 -0.063 0.000 1.181 39 A CA 1.856 53.920 52.037 0.045 0.000 0.627 39 A CB -0.676 18.373 19.000 0.081 0.000 0.818 39 A HN 0.297 nan 8.150 nan 0.000 0.445 40 R N -0.466 119.915 120.500 -0.198 0.000 2.073 40 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 40 R C 1.503 177.529 176.300 -0.456 0.000 1.134 40 R CA 1.929 57.754 56.100 -0.458 0.000 0.952 40 R CB -0.405 29.623 30.300 -0.454 0.000 0.850 40 R HN 0.428 nan 8.270 nan 0.000 0.433 41 D N 0.045 120.353 120.400 -0.154 0.000 2.097 41 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 41 D C 2.066 178.353 176.300 -0.022 0.000 0.989 41 D CA 1.079 55.073 54.000 -0.011 0.000 0.827 41 D CB -0.121 40.700 40.800 0.036 0.000 0.966 41 D HN 0.149 nan 8.370 nan 0.000 0.456 42 R N 0.073 120.569 120.500 -0.006 0.000 2.096 42 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 42 R C 2.283 178.616 176.300 0.055 0.000 1.127 42 R CA 0.290 56.426 56.100 0.059 0.000 0.968 42 R CB -0.876 29.491 30.300 0.110 0.000 0.861 42 R HN 0.245 nan 8.270 nan 0.000 0.440 43 L N 0.613 121.782 121.223 -0.089 0.000 1.989 43 L HA -0.086 4.253 4.340 -0.000 0.000 0.211 43 L C 0.646 177.521 176.870 0.008 0.000 1.071 43 L CA 1.628 56.307 54.840 -0.269 0.000 0.749 43 L CB -0.494 41.115 42.059 -0.750 0.000 0.890 43 L HN -0.158 nan 8.230 nan 0.000 0.431 47 V N 1.965 121.932 119.914 0.088 0.000 2.295 47 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 47 V C 2.036 178.121 176.094 -0.014 0.000 1.049 47 V CA 1.983 64.330 62.300 0.079 0.000 1.024 47 V CB -0.413 31.518 31.823 0.179 0.000 0.648 47 V HN 0.270 nan 8.190 nan 0.000 0.447 48 I N 0.095 120.632 120.570 -0.056 0.000 2.394 48 I HA -0.005 4.165 4.170 -0.000 0.000 0.251 48 I C 1.861 177.749 176.117 -0.381 0.000 1.136 48 I CA 1.734 62.904 61.300 -0.217 0.000 1.425 48 I CB -1.277 36.598 38.000 -0.208 0.000 1.079 48 I HN 0.575 nan 8.210 nan 0.000 0.425 49 G N 0.542 109.244 108.800 -0.164 0.000 2.145 49 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.176 49 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.176 49 G C 0.219 175.193 174.900 0.123 0.000 1.013 49 G CA 0.192 45.269 45.100 -0.038 0.000 0.689 49 G HN 0.341 nan 8.290 nan 0.000 0.506 50 S N 1.004 116.766 115.700 0.103 0.000 2.664 50 S HA 0.801 5.270 4.470 -0.000 0.000 0.304 50 S C -2.246 172.426 174.600 0.121 0.000 1.099 50 S CA -1.033 57.278 58.200 0.186 0.000 1.003 50 S CB 2.279 65.601 63.200 0.203 0.000 1.092 50 S HN 0.318 nan 8.310 nan 0.000 0.525 51 P HA 0.307 nan 4.420 nan 0.000 0.281 51 P C -1.373 175.985 177.300 0.097 0.000 1.252 51 P CA -0.152 63.010 63.100 0.104 0.000 0.778 51 P CB 0.450 32.192 31.700 0.069 0.000 0.895 52 D N 3.893 124.351 120.400 0.097 0.000 2.440 52 D HA 0.282 4.921 4.640 -0.000 0.000 0.239 52 D C -1.788 174.499 176.300 -0.021 0.000 1.084 52 D CA -2.498 51.553 54.000 0.084 0.000 0.843 52 D CB 1.271 42.163 40.800 0.154 0.000 1.097 52 D HN 0.031 nan 8.370 nan 0.000 0.531 53 P HA -0.081 nan 4.420 nan 0.000 0.220 53 P C 0.538 177.665 177.300 -0.288 0.000 1.148 53 P CA 0.894 63.835 63.100 -0.266 0.000 0.803 53 P CB 0.055 31.483 31.700 -0.454 0.000 0.782 54 Y N -0.634 119.663 120.300 -0.005 0.000 2.544 54 Y HA 0.351 4.901 4.550 -0.000 0.000 0.286 54 Y C 1.585 177.462 175.900 -0.037 0.000 1.141 54 Y CA 0.179 58.272 58.100 -0.012 0.000 1.299 54 Y CB -1.062 37.398 38.460 0.000 0.000 1.030 54 Y HN -0.131 nan 8.280 nan 0.000 0.543 55 A N 0.183 123.029 122.820 0.043 0.000 2.745 55 A HA -0.121 4.199 4.320 -0.000 0.000 0.296 55 A C 1.353 178.897 177.584 -0.067 0.000 1.500 55 A CA 1.071 53.073 52.037 -0.058 0.000 0.766 55 A CB -1.786 17.189 19.000 -0.042 0.000 1.030 55 A HN 0.724 nan 8.150 nan 0.000 0.489 56 A N -1.957 120.847 122.820 -0.027 0.000 2.377 56 A HA 0.491 4.811 4.320 -0.000 0.000 0.209 56 A C 0.681 178.314 177.584 0.082 0.000 1.359 56 A CA 1.065 53.110 52.037 0.013 0.000 1.026 56 A CB -0.000 19.030 19.000 0.051 0.000 1.224 56 A HN 1.568 nan 8.150 nan 0.000 0.528 57 H N -0.326 118.786 119.070 0.070 0.000 2.713 57 H HA -0.148 4.408 4.556 -0.000 0.000 0.311 57 H C 0.822 176.169 175.328 0.032 0.000 1.175 57 H CA 0.188 56.267 56.048 0.053 0.000 1.143 57 H CB -0.832 28.956 29.762 0.044 0.000 1.434 57 H HN 0.387 nan 8.280 nan 0.000 0.418 58 I N 0.170 120.822 120.570 0.137 0.000 2.830 58 I HA -0.109 4.061 4.170 -0.000 0.000 0.263 58 I C 1.519 177.666 176.117 0.049 0.000 1.230 58 I CA 1.232 62.568 61.300 0.061 0.000 1.480 58 I CB -0.180 37.823 38.000 0.005 0.000 1.095 58 I HN 0.331 nan 8.210 nan 0.000 0.455 59 D N 0.970 121.416 120.400 0.076 0.000 2.894 59 D HA 0.440 5.080 4.640 -0.000 0.000 0.273 59 D C 0.261 176.583 176.300 0.037 0.000 1.328 59 D CA 0.090 54.122 54.000 0.054 0.000 0.845 59 D CB 0.148 40.991 40.800 0.071 0.000 1.072 59 D HN 0.285 nan 8.370 nan 0.000 0.484 63 G N -0.854 108.099 108.800 0.255 0.000 3.651 63 G HA2 0.578 4.538 3.960 -0.000 0.000 0.279 63 G HA3 0.578 4.538 3.960 -0.000 0.000 0.279 63 G C 1.092 176.110 174.900 0.196 0.000 1.024 63 G CA 1.489 46.713 45.100 0.207 0.000 0.813 63 G HN 2.368 nan 8.290 nan 0.000 0.518 64 A N -0.334 122.665 122.820 0.299 0.000 2.826 64 A HA -0.122 4.197 4.320 -0.000 0.000 0.274 64 A C 1.013 178.597 177.584 -0.000 0.000 1.443 64 A CA 1.705 53.709 52.037 -0.055 0.000 0.833 64 A CB -2.412 16.505 19.000 -0.138 0.000 1.023 64 A HN 1.774 nan 8.150 nan 0.000 0.600 65 T N -4.135 110.464 114.554 0.075 0.000 2.916 65 T HA 0.695 5.045 4.350 -0.000 0.000 0.292 65 T C 1.200 175.945 174.700 0.076 0.000 1.064 65 T CA 0.477 62.611 62.100 0.055 0.000 1.011 65 T CB 1.548 70.447 68.868 0.052 0.000 1.152 65 T HN 1.431 nan 8.240 nan 0.000 0.510 66 S N 0.858 116.593 115.700 0.058 0.000 2.399 66 S HA -0.093 4.376 4.470 -0.000 0.000 0.231 66 S C 1.962 176.609 174.600 0.079 0.000 1.022 66 S CA 1.157 59.398 58.200 0.068 0.000 0.983 66 S CB -1.027 62.205 63.200 0.053 0.000 0.803 66 S HN 0.644 nan 8.310 nan 0.000 0.480 67 S N 1.572 117.312 115.700 0.067 0.000 2.507 67 S HA 0.017 4.487 4.470 -0.000 0.000 0.235 67 S C 1.361 176.006 174.600 0.075 0.000 0.988 67 S CA 1.236 59.473 58.200 0.061 0.000 0.944 67 S CB -0.300 62.928 63.200 0.047 0.000 0.762 67 S HN 0.928 nan 8.310 nan 0.000 0.526 68 T N -2.316 112.299 114.554 0.101 0.000 3.393 68 T HA 0.360 4.709 4.350 -0.000 0.000 0.298 68 T C 0.018 174.805 174.700 0.144 0.000 1.004 68 T CA -0.457 61.720 62.100 0.130 0.000 0.956 68 T CB 0.382 69.339 68.868 0.147 0.000 1.182 68 T HN -0.043 nan 8.240 nan 0.000 0.497 69 S N 1.382 117.155 115.700 0.122 0.000 2.327 69 S HA 0.411 4.881 4.470 -0.000 0.000 0.203 69 S C -0.565 174.061 174.600 0.043 0.000 1.326 69 S CA -0.751 57.512 58.200 0.106 0.000 1.248 69 S CB 0.205 63.508 63.200 0.172 0.000 1.199 69 S HN 0.419 nan 8.310 nan 0.000 0.422 70 K N 0.609 121.026 120.400 0.028 0.000 2.468 70 K HA 0.636 4.956 4.320 -0.000 0.000 0.252 70 K C -1.312 175.229 176.600 -0.099 0.000 0.932 70 K CA -0.563 55.730 56.287 0.009 0.000 0.794 70 K CB 1.974 34.554 32.500 0.132 0.000 1.241 70 K HN 0.225 nan 8.250 nan 0.000 0.428 71 C N 1.759 120.928 119.300 -0.219 0.000 2.634 71 C HA 0.701 5.161 4.460 -0.000 0.000 0.313 71 C C -0.568 174.243 174.990 -0.298 0.000 1.198 71 C CA -0.669 58.119 59.018 -0.384 0.000 1.605 71 C CB 1.571 28.800 27.740 -0.851 0.000 2.196 71 C HN 0.541 nan 8.230 nan 0.000 0.486 72 V N 3.683 123.383 119.914 -0.357 0.000 2.638 72 V HA 0.525 4.644 4.120 -0.000 0.000 0.306 72 V C -0.576 175.558 176.094 0.066 0.000 1.052 72 V CA -0.282 61.885 62.300 -0.222 0.000 0.885 72 V CB 1.811 33.120 31.823 -0.857 0.000 0.999 72 V HN 0.712 nan 8.190 nan 0.000 0.424 73 I N 5.340 126.080 120.570 0.284 0.000 2.354 73 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 73 I C -0.930 175.421 176.117 0.388 0.000 0.989 73 I CA -0.552 60.969 61.300 0.368 0.000 1.188 73 I CB 1.621 39.812 38.000 0.320 0.000 1.342 73 I HN 0.321 nan 8.210 nan 0.000 0.457 74 L N 5.946 127.444 121.223 0.459 0.000 2.334 74 L HA 0.629 4.968 4.340 -0.000 0.000 0.276 74 L C -0.051 176.998 176.870 0.300 0.000 1.014 74 L CA 0.095 55.187 54.840 0.420 0.000 0.815 74 L CB 2.040 44.410 42.059 0.519 0.000 1.268 74 L HN 0.755 nan 8.230 nan 0.000 0.428 75 S N 0.816 116.650 115.700 0.224 0.000 2.607 75 S HA 0.596 5.066 4.470 -0.000 0.000 0.273 75 S C -0.987 173.688 174.600 0.123 0.000 1.148 75 S CA -1.204 57.087 58.200 0.151 0.000 0.833 75 S CB 1.413 64.689 63.200 0.127 0.000 1.130 75 S HN 0.402 nan 8.310 nan 0.000 0.470 76 K N 1.446 121.895 120.400 0.081 0.000 2.484 76 K HA 0.162 4.482 4.320 -0.000 0.000 0.280 76 K C 0.278 176.919 176.600 0.068 0.000 1.013 76 K CA 0.104 56.429 56.287 0.063 0.000 1.029 76 K CB 0.542 33.063 32.500 0.035 0.000 0.902 76 K HN 0.591 nan 8.250 nan 0.000 0.481 77 S N 1.311 117.056 115.700 0.076 0.000 2.564 77 S HA 0.022 4.492 4.470 -0.000 0.000 0.278 77 S C 1.111 175.714 174.600 0.005 0.000 1.333 77 S CA -0.642 57.595 58.200 0.061 0.000 1.048 77 S CB 0.619 63.875 63.200 0.094 0.000 0.900 77 S HN 0.618 nan 8.310 nan 0.000 0.505 78 S N 2.847 118.525 115.700 -0.036 0.000 2.528 78 S HA 0.097 4.567 4.470 -0.000 0.000 0.219 78 S C 0.571 175.093 174.600 -0.130 0.000 0.985 78 S CA -0.158 58.003 58.200 -0.066 0.000 0.914 78 S CB -0.135 63.028 63.200 -0.061 0.000 0.776 78 S HN 0.712 nan 8.310 nan 0.000 0.526 79 Q N 3.368 123.032 119.800 -0.226 0.000 2.295 79 Q HA 0.375 4.715 4.340 -0.000 0.000 0.259 79 Q C -2.886 173.045 176.000 -0.114 0.000 0.976 79 Q CA -2.369 53.208 55.803 -0.377 0.000 0.923 79 Q CB 0.372 28.511 28.738 -0.998 0.000 1.185 79 Q HN 0.100 nan 8.270 nan 0.000 0.410 80 P HA 0.067 nan 4.420 nan 0.000 0.264 80 P C 0.111 177.429 177.300 0.030 0.000 1.183 80 P CA 1.126 64.210 63.100 -0.027 0.000 0.763 80 P CB 0.606 32.278 31.700 -0.047 0.000 0.807 81 G N 0.918 109.696 108.800 -0.037 0.000 2.147 81 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 81 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 81 G C -0.240 174.441 174.900 -0.365 0.000 1.005 81 G CA -0.055 44.947 45.100 -0.165 0.000 0.713 81 G HN 0.708 nan 8.290 nan 0.000 0.515 82 H N -1.302 117.751 119.070 -0.029 0.000 2.768 82 H HA 0.493 5.049 4.556 -0.000 0.000 0.371 82 H C 0.429 175.765 175.328 0.013 0.000 1.151 82 H CA -0.582 55.475 56.048 0.015 0.000 1.165 82 H CB 1.660 31.448 29.762 0.044 0.000 1.722 82 H HN 0.008 nan 8.280 nan 0.000 0.543 83 D N 0.816 121.300 120.400 0.140 0.000 2.201 83 D HA 0.003 4.643 4.640 -0.000 0.000 0.209 83 D C 0.371 176.737 176.300 0.111 0.000 0.961 83 D CA 1.102 55.153 54.000 0.084 0.000 0.861 83 D CB 0.706 41.530 40.800 0.041 0.000 0.997 83 D HN 0.242 nan 8.370 nan 0.000 0.486 84 V N -0.785 119.229 119.914 0.166 0.000 2.925 84 V HA 0.503 4.623 4.120 -0.000 0.000 0.311 84 V C -1.273 174.976 176.094 0.259 0.000 1.104 84 V CA -1.078 61.331 62.300 0.181 0.000 0.954 84 V CB 2.677 34.599 31.823 0.166 0.000 1.022 84 V HN -0.266 nan 8.190 nan 0.000 0.427 85 D N 2.627 123.180 120.400 0.255 0.000 2.210 85 D HA 0.434 5.074 4.640 -0.000 0.000 0.249 85 D C -1.169 175.338 176.300 0.345 0.000 1.078 85 D CA 0.344 54.535 54.000 0.319 0.000 0.875 85 D CB 1.628 42.589 40.800 0.269 0.000 1.175 85 D HN 0.785 nan 8.370 nan 0.000 0.440 86 Y N 2.977 123.384 120.300 0.179 0.000 2.326 86 Y HA 0.499 5.049 4.550 -0.000 0.000 0.331 86 Y C -2.023 173.969 175.900 0.154 0.000 0.962 86 Y CA -1.239 56.963 58.100 0.171 0.000 1.167 86 Y CB 0.613 39.165 38.460 0.153 0.000 1.148 86 Y HN 0.193 nan 8.280 nan 0.000 0.463 87 L N 8.234 129.510 121.223 0.089 0.000 2.362 87 L HA 0.489 4.829 4.340 -0.000 0.000 0.275 87 L C -1.832 175.128 176.870 0.149 0.000 0.998 87 L CA -0.963 53.894 54.840 0.028 0.000 0.820 87 L CB 1.442 43.567 42.059 0.110 0.000 1.270 87 L HN 0.639 nan 8.230 nan 0.000 0.415 88 Y N 3.540 123.819 120.300 -0.034 0.000 2.350 88 Y HA 0.787 5.337 4.550 -0.000 0.000 0.338 88 Y C -0.211 175.639 175.900 -0.083 0.000 0.961 88 Y CA -1.138 56.930 58.100 -0.054 0.000 1.100 88 Y CB 1.949 40.288 38.460 -0.203 0.000 1.179 88 Y HN 0.631 nan 8.280 nan 0.000 0.454 89 G N 5.097 113.434 108.800 -0.772 0.000 2.437 89 G HA2 0.403 4.363 3.960 -0.000 0.000 0.315 89 G HA3 0.403 4.363 3.960 -0.000 0.000 0.315 89 G C -1.543 172.729 174.900 -1.047 0.000 1.210 89 G CA -0.743 43.467 45.100 -1.484 0.000 0.943 89 G HN 0.626 nan 8.290 nan 0.000 0.471 90 Q N 2.111 121.297 119.800 -1.023 0.000 2.322 90 Q HA 0.426 4.766 4.340 -0.000 0.000 0.256 90 Q C -0.426 175.371 176.000 -0.338 0.000 0.960 90 Q CA -0.313 55.197 55.803 -0.488 0.000 0.934 90 Q CB 1.399 29.948 28.738 -0.315 0.000 1.200 90 Q HN 0.285 nan 8.270 nan 0.000 0.435 91 V N 4.092 123.893 119.914 -0.188 0.000 2.385 91 V HA 0.292 4.411 4.120 -0.000 0.000 0.269 91 V C 0.036 176.142 176.094 0.021 0.000 1.043 91 V CA -0.528 61.712 62.300 -0.101 0.000 0.906 91 V CB 1.233 33.018 31.823 -0.063 0.000 0.995 91 V HN 0.843 nan 8.190 nan 0.000 0.467 92 S N 4.790 120.528 115.700 0.064 0.000 2.568 92 S HA 0.273 4.742 4.470 -0.000 0.000 0.282 92 S C 1.311 175.983 174.600 0.120 0.000 1.338 92 S CA -0.328 57.933 58.200 0.102 0.000 1.045 92 S CB 0.800 64.085 63.200 0.141 0.000 0.873 92 S HN 0.580 nan 8.310 nan 0.000 0.516 93 I N 1.398 122.019 120.570 0.084 0.000 2.333 93 I HA -0.099 4.070 4.170 -0.000 0.000 0.246 93 I C 1.939 178.079 176.117 0.038 0.000 1.106 93 I CA 1.036 62.365 61.300 0.049 0.000 1.411 93 I CB -0.126 37.810 38.000 -0.107 0.000 1.082 93 I HN 0.684 nan 8.210 nan 0.000 0.420 94 D N 0.026 120.438 120.400 0.019 0.000 2.454 94 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 94 D C 0.591 176.903 176.300 0.019 0.000 1.088 94 D CA 0.097 54.099 54.000 0.003 0.000 0.855 94 D CB 0.392 41.178 40.800 -0.023 0.000 1.025 94 D HN 0.180 nan 8.370 nan 0.000 0.502 95 K N 1.152 121.577 120.400 0.043 0.000 2.208 95 K HA 0.421 4.741 4.320 -0.000 0.000 0.247 95 K C -2.649 174.014 176.600 0.105 0.000 0.953 95 K CA -2.038 54.282 56.287 0.056 0.000 0.837 95 K CB 2.234 34.752 32.500 0.030 0.000 1.131 95 K HN -0.128 nan 8.250 nan 0.000 0.431 96 P HA 0.159 nan 4.420 nan 0.000 0.256 96 P C -1.330 176.095 177.300 0.209 0.000 1.689 96 P CA 0.045 63.220 63.100 0.126 0.000 1.124 96 P CB -0.255 31.502 31.700 0.095 0.000 1.766 97 F N 3.228 123.177 119.950 -0.002 0.000 2.635 97 F HA 0.368 4.894 4.527 -0.000 0.000 0.314 97 F C -1.695 174.061 175.800 -0.073 0.000 1.119 97 F CA -0.821 57.165 58.000 -0.024 0.000 1.000 97 F CB 1.812 40.794 39.000 -0.031 0.000 1.278 97 F HN -0.115 nan 8.300 nan 0.000 0.446 98 V N 4.366 123.825 119.914 -0.758 0.000 2.487 98 V HA 0.358 4.477 4.120 -0.000 0.000 0.298 98 V C -1.132 174.251 176.094 -1.185 0.000 1.028 98 V CA -0.684 61.161 62.300 -0.759 0.000 0.860 98 V CB 1.651 33.129 31.823 -0.575 0.000 0.991 98 V HN 0.647 nan 8.190 nan 0.000 0.427 99 D N 3.185 123.061 120.400 -0.873 0.000 2.280 99 D HA 0.319 4.959 4.640 -0.000 0.000 0.236 99 D C -0.237 175.642 176.300 -0.703 0.000 1.082 99 D CA -0.409 53.262 54.000 -0.547 0.000 0.834 99 D CB 1.358 42.125 40.800 -0.055 0.000 1.100 99 D HN 0.538 nan 8.370 nan 0.000 0.486 100 W N 1.983 123.141 121.300 -0.237 0.000 3.132 100 W HA 0.102 4.762 4.660 -0.000 0.000 0.364 100 W C 1.966 178.399 176.519 -0.144 0.000 1.129 100 W CA -0.201 57.010 57.345 -0.223 0.000 1.815 100 W CB 0.314 29.666 29.460 -0.179 0.000 1.099 100 W HN 0.450 nan 8.180 nan 0.000 0.605 101 S N -1.010 114.722 115.700 0.054 0.000 2.528 101 S HA 0.279 4.749 4.470 -0.000 0.000 0.219 101 S C 1.029 175.659 174.600 0.050 0.000 0.985 101 S CA 0.316 58.556 58.200 0.065 0.000 0.914 101 S CB -0.067 63.176 63.200 0.071 0.000 0.776 101 S HN 0.011 nan 8.310 nan 0.000 0.526 102 G N 0.839 109.669 108.800 0.051 0.000 2.601 102 G HA2 0.584 4.543 3.960 -0.000 0.000 0.317 102 G HA3 0.584 4.543 3.960 -0.000 0.000 0.317 102 G C -1.171 173.857 174.900 0.214 0.000 1.246 102 G CA -0.883 44.291 45.100 0.123 0.000 1.012 102 G HN 0.322 nan 8.290 nan 0.000 0.494 103 N N -2.200 116.608 118.700 0.181 0.000 2.292 103 N HA 0.390 5.130 4.740 -0.000 0.000 0.303 103 N C -1.368 174.126 175.510 -0.026 0.000 1.140 103 N CA -0.534 52.596 53.050 0.133 0.000 0.788 103 N CB 2.031 40.563 38.487 0.074 0.000 1.361 103 N HN 0.462 nan 8.380 nan 0.000 0.489 104 C N 2.804 121.882 119.300 -0.369 0.000 2.264 104 C HA 0.638 5.098 4.460 -0.000 0.000 0.322 104 C C 1.763 176.718 174.990 -0.059 0.000 1.210 104 C CA -0.333 58.458 59.018 -0.377 0.000 1.539 104 C CB -1.050 26.160 27.740 -0.884 0.000 2.167 104 C HN 0.868 nan 8.230 nan 0.000 0.463 105 G N 3.999 112.810 108.800 0.018 0.000 2.443 105 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.219 105 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.219 105 G C 1.456 176.443 174.900 0.145 0.000 1.131 105 G CA 0.533 45.729 45.100 0.160 0.000 0.775 105 G HN 0.797 nan 8.290 nan 0.000 0.547 106 N N 0.359 119.085 118.700 0.044 0.000 2.106 106 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 106 N C 2.185 177.717 175.510 0.037 0.000 1.029 106 N CA 0.638 53.712 53.050 0.041 0.000 0.848 106 N CB -0.163 38.334 38.487 0.016 0.000 1.007 106 N HN 0.249 nan 8.380 nan 0.000 0.423 107 L N 1.132 122.362 121.223 0.012 0.000 2.376 107 L HA -0.035 4.305 4.340 -0.000 0.000 0.219 107 L C 2.150 179.039 176.870 0.031 0.000 1.133 107 L CA 0.328 55.212 54.840 0.073 0.000 0.816 107 L CB -0.287 41.800 42.059 0.046 0.000 0.933 107 L HN 0.082 nan 8.230 nan 0.000 0.449 108 S N -0.216 115.483 115.700 -0.002 0.000 2.380 108 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 108 S C 1.980 176.496 174.600 -0.141 0.000 1.043 108 S CA 2.066 60.171 58.200 -0.160 0.000 1.038 108 S CB -0.423 62.812 63.200 0.058 0.000 0.872 108 S HN 0.515 nan 8.310 nan 0.000 0.456 109 T N 1.501 116.029 114.554 -0.042 0.000 2.684 109 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 109 T C 2.073 176.718 174.700 -0.091 0.000 1.036 109 T CA 1.395 63.464 62.100 -0.051 0.000 1.148 109 T CB -0.956 67.906 68.868 -0.009 0.000 0.863 109 T HN 0.560 nan 8.240 nan 0.000 0.436 110 G N 1.071 109.819 108.800 -0.087 0.000 2.408 110 G HA2 0.026 3.986 3.960 -0.000 0.000 0.217 110 G HA3 0.026 3.986 3.960 -0.000 0.000 0.217 110 G C 1.856 176.643 174.900 -0.189 0.000 1.150 110 G CA 0.798 45.761 45.100 -0.228 0.000 0.776 110 G HN 0.601 nan 8.290 nan 0.000 0.542 111 A N 0.958 123.758 122.820 -0.033 0.000 1.908 111 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 111 A C 2.688 180.255 177.584 -0.028 0.000 1.181 111 A CA 2.203 54.221 52.037 -0.031 0.000 0.627 111 A CB -1.051 17.586 19.000 -0.604 0.000 0.818 111 A HN 0.512 nan 8.150 nan 0.000 0.445 112 G N -0.822 107.921 108.800 -0.096 0.000 2.402 112 G HA2 0.057 4.017 3.960 -0.000 0.000 0.216 112 G HA3 0.057 4.017 3.960 -0.000 0.000 0.216 112 G C 1.739 176.607 174.900 -0.052 0.000 1.162 112 G CA 1.385 46.440 45.100 -0.074 0.000 0.777 112 G HN 0.789 nan 8.290 nan 0.000 0.539 113 A N 0.403 123.183 122.820 -0.066 0.000 1.873 113 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 113 A C 2.174 179.751 177.584 -0.011 0.000 1.186 113 A CA 1.513 53.513 52.037 -0.062 0.000 0.616 113 A CB -0.585 18.351 19.000 -0.106 0.000 0.823 113 A HN 0.358 nan 8.150 nan 0.000 0.442 114 F N 1.181 121.021 119.950 -0.184 0.000 2.216 114 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 114 F C 2.474 178.279 175.800 0.008 0.000 1.085 114 F CA 0.707 58.638 58.000 -0.115 0.000 1.326 114 F CB -0.506 38.379 39.000 -0.192 0.000 1.027 114 F HN 0.251 nan 8.300 nan 0.000 0.497 115 A N 0.477 123.286 122.820 -0.019 0.000 1.948 115 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 115 A C 2.306 179.802 177.584 -0.148 0.000 1.177 115 A CA 2.136 54.121 52.037 -0.087 0.000 0.636 115 A CB -1.122 17.873 19.000 -0.007 0.000 0.815 115 A HN 0.498 nan 8.150 nan 0.000 0.449 116 L N -2.341 118.818 121.223 -0.105 0.000 2.095 116 L HA -0.084 4.255 4.340 -0.000 0.000 0.204 116 L C 2.577 179.379 176.870 -0.113 0.000 1.080 116 L CA 1.403 56.187 54.840 -0.094 0.000 0.759 116 L CB -0.662 41.363 42.059 -0.056 0.000 0.914 116 L HN 0.613 nan 8.230 nan 0.000 0.439 117 H N 0.621 119.568 119.070 -0.205 0.000 2.353 117 H HA -0.183 4.373 4.556 -0.000 0.000 0.298 117 H C 1.974 177.119 175.328 -0.305 0.000 1.103 117 H CA 1.720 57.641 56.048 -0.211 0.000 1.293 117 H CB 0.129 29.802 29.762 -0.148 0.000 1.372 117 H HN 0.290 nan 8.280 nan 0.000 0.501 118 A N -0.751 121.748 122.820 -0.535 0.000 2.208 118 A HA 0.284 4.604 4.320 -0.000 0.000 0.209 118 A C 1.922 179.301 177.584 -0.341 0.000 1.161 118 A CA 0.829 52.505 52.037 -0.602 0.000 0.782 118 A CB -0.756 17.696 19.000 -0.914 0.000 0.816 118 A HN 0.856 nan 8.150 nan 0.000 0.477 119 G N -1.037 107.610 108.800 -0.256 0.000 2.160 119 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 119 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 119 G C 0.514 175.344 174.900 -0.117 0.000 1.022 119 G CA 0.489 45.492 45.100 -0.161 0.000 0.741 119 G HN 0.497 nan 8.290 nan 0.000 0.508 120 L N -0.611 120.540 121.223 -0.119 0.000 2.607 120 L HA 0.265 4.604 4.340 -0.000 0.000 0.228 120 L C 0.909 177.757 176.870 -0.037 0.000 1.123 120 L CA 0.013 54.814 54.840 -0.064 0.000 0.890 120 L CB 0.503 42.533 42.059 -0.049 0.000 1.103 120 L HN 0.157 nan 8.230 nan 0.000 0.468 121 V N 0.080 119.965 119.914 -0.049 0.000 2.439 121 V HA 0.123 4.243 4.120 -0.000 0.000 0.282 121 V C 0.007 176.081 176.094 -0.033 0.000 1.039 121 V CA -0.935 61.345 62.300 -0.033 0.000 0.913 121 V CB 1.642 33.442 31.823 -0.039 0.000 0.983 121 V HN 0.053 nan 8.190 nan 0.000 0.460 122 D N 7.543 127.928 120.400 -0.024 0.000 2.581 122 D HA -0.005 4.635 4.640 -0.000 0.000 0.238 122 D C -1.132 175.152 176.300 -0.027 0.000 1.145 122 D CA -1.267 52.719 54.000 -0.023 0.000 0.866 122 D CB 1.467 42.255 40.800 -0.020 0.000 1.151 122 D HN 0.286 nan 8.370 nan 0.000 0.500 123 P HA -0.101 nan 4.420 nan 0.000 0.225 123 P C 0.943 178.229 177.300 -0.023 0.000 1.148 123 P CA 0.768 63.851 63.100 -0.028 0.000 0.779 123 P CB 0.043 31.727 31.700 -0.027 0.000 0.780 124 A N 0.635 123.442 122.820 -0.021 0.000 2.076 124 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 124 A C 2.195 179.767 177.584 -0.020 0.000 1.160 124 A CA 1.128 53.154 52.037 -0.019 0.000 0.653 124 A CB -0.958 18.032 19.000 -0.017 0.000 0.801 124 A HN 0.174 nan 8.150 nan 0.000 0.455 125 R N -1.002 119.484 120.500 -0.023 0.000 2.334 125 R HA 0.319 4.659 4.340 -0.000 0.000 0.216 125 R C -0.458 175.826 176.300 -0.025 0.000 0.905 125 R CA 0.070 56.155 56.100 -0.025 0.000 1.064 125 R CB 0.185 30.467 30.300 -0.030 0.000 1.046 125 R HN 0.441 nan 8.270 nan 0.000 0.508 126 I N 3.240 123.795 120.570 -0.025 0.000 2.339 126 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 126 I C -1.970 174.134 176.117 -0.021 0.000 0.994 126 I CA -2.358 58.927 61.300 -0.025 0.000 1.191 126 I CB 1.530 39.512 38.000 -0.030 0.000 1.343 126 I HN -0.165 nan 8.210 nan 0.000 0.458 127 P HA 0.194 nan 4.420 nan 0.000 0.279 127 P C 0.200 177.491 177.300 -0.016 0.000 1.276 127 P CA -0.259 62.832 63.100 -0.015 0.000 0.801 127 P CB 1.575 33.268 31.700 -0.012 0.000 1.127 128 E N -0.104 120.088 120.200 -0.014 0.000 2.051 128 E HA -0.062 4.288 4.350 -0.000 0.000 0.189 128 E C -0.239 176.354 176.600 -0.013 0.000 0.979 128 E CA 1.409 57.800 56.400 -0.014 0.000 0.803 128 E CB -0.048 29.645 29.700 -0.012 0.000 0.761 128 E HN 0.355 nan 8.360 nan 0.000 0.451 129 D N -0.779 119.613 120.400 -0.012 0.000 2.788 129 D HA 0.502 5.142 4.640 -0.000 0.000 0.247 129 D C -0.048 176.245 176.300 -0.011 0.000 1.236 129 D CA 0.309 54.302 54.000 -0.011 0.000 0.898 129 D CB 1.535 42.328 40.800 -0.010 0.000 1.401 129 D HN 0.304 nan 8.370 nan 0.000 0.549 130 G N 1.504 110.297 108.800 -0.011 0.000 2.553 130 G HA2 0.120 4.080 3.960 -0.000 0.000 0.106 130 G HA3 0.120 4.080 3.960 -0.000 0.000 0.106 130 G C -1.705 173.191 174.900 -0.008 0.000 1.126 130 G CA -0.541 44.553 45.100 -0.009 0.000 1.075 130 G HN 0.349 nan 8.290 nan 0.000 0.472 131 I N 0.694 121.264 120.570 -0.000 0.000 2.498 131 I HA 0.486 4.655 4.170 -0.000 0.000 0.290 131 I C -0.462 175.660 176.117 0.008 0.000 1.032 131 I CA -0.642 60.665 61.300 0.011 0.000 1.073 131 I CB 1.289 39.312 38.000 0.039 0.000 1.251 131 I HN 0.655 nan 8.210 nan 0.000 0.426 132 C N 6.170 125.466 119.300 -0.007 0.000 2.273 132 C HA 0.317 4.777 4.460 -0.000 0.000 0.328 132 C C 0.635 175.593 174.990 -0.054 0.000 1.275 132 C CA -0.455 58.547 59.018 -0.026 0.000 1.704 132 C CB -0.050 27.668 27.740 -0.036 0.000 2.326 132 C HN 0.873 nan 8.230 nan 0.000 0.517 133 E N 4.822 124.980 120.200 -0.071 0.000 1.932 133 E HA 0.291 4.641 4.350 -0.000 0.000 0.275 133 E C -0.708 175.802 176.600 -0.149 0.000 1.159 133 E CA -0.151 56.148 56.400 -0.167 0.000 0.905 133 E CB 0.571 30.192 29.700 -0.131 0.000 1.059 133 E HN 0.670 nan 8.360 nan 0.000 0.400 134 V N 6.112 125.929 119.914 -0.162 0.000 2.408 134 V HA 0.207 4.327 4.120 -0.000 0.000 0.267 134 V C 0.343 176.379 176.094 -0.097 0.000 1.047 134 V CA -0.316 61.923 62.300 -0.101 0.000 0.937 134 V CB 0.832 32.608 31.823 -0.080 0.000 0.999 134 V HN 0.599 nan 8.190 nan 0.000 0.472 135 R N 5.553 126.027 120.500 -0.043 0.000 2.204 135 R HA 0.554 4.893 4.340 -0.000 0.000 0.341 135 R C -0.793 175.611 176.300 0.174 0.000 1.035 135 R CA -0.223 55.879 56.100 0.004 0.000 0.887 135 R CB 0.794 31.048 30.300 -0.076 0.000 1.114 135 R HN 0.616 nan 8.270 nan 0.000 0.473 136 I N 2.552 123.247 120.570 0.207 0.000 2.336 136 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 136 I C -0.116 176.249 176.117 0.413 0.000 0.991 136 I CA -0.474 60.983 61.300 0.263 0.000 1.227 136 I CB 1.218 39.292 38.000 0.123 0.000 1.366 136 I HN 0.526 nan 8.210 nan 0.000 0.466 137 W N 7.482 128.854 121.300 0.120 0.000 2.357 137 W HA 0.196 4.856 4.660 -0.000 0.000 0.317 137 W C -0.182 176.380 176.519 0.072 0.000 1.101 137 W CA -0.689 56.603 57.345 -0.088 0.000 1.380 137 W CB 1.161 30.432 29.460 -0.315 0.000 1.266 137 W HN 0.502 nan 8.180 nan 0.000 0.419 138 Q N 4.634 124.254 119.800 -0.300 0.000 2.325 138 Q HA 0.088 4.428 4.340 -0.000 0.000 0.256 138 Q C 0.841 176.458 176.000 -0.639 0.000 1.142 138 Q CA 0.309 55.950 55.803 -0.270 0.000 0.902 138 Q CB 1.370 30.027 28.738 -0.136 0.000 1.350 138 Q HN 0.679 nan 8.270 nan 0.000 0.449 139 A N 4.403 126.995 122.820 -0.380 0.000 2.014 139 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 139 A C 1.485 178.960 177.584 -0.182 0.000 1.163 139 A CA 1.232 53.119 52.037 -0.250 0.000 0.652 139 A CB -0.022 18.989 19.000 0.018 0.000 0.808 139 A HN 0.741 nan 8.150 nan 0.000 0.449 140 N N 0.507 119.104 118.700 -0.172 0.000 2.106 140 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 140 N C 1.543 177.000 175.510 -0.089 0.000 1.029 140 N CA 1.944 54.949 53.050 -0.076 0.000 0.848 140 N CB -0.295 38.181 38.487 -0.018 0.000 1.007 140 N HN 0.714 nan 8.380 nan 0.000 0.423 141 I N -4.653 115.825 120.570 -0.153 0.000 4.057 141 I HA 0.415 4.585 4.170 -0.000 0.000 0.334 141 I C 0.514 176.497 176.117 -0.223 0.000 1.308 141 I CA 0.128 61.347 61.300 -0.135 0.000 1.125 141 I CB 0.059 38.010 38.000 -0.082 0.000 1.034 141 I HN 0.121 nan 8.210 nan 0.000 0.401 142 G N 2.746 111.262 108.800 -0.473 0.000 2.291 142 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.271 142 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.271 142 G C -0.388 174.011 174.900 -0.835 0.000 1.099 142 G CA -0.043 44.626 45.100 -0.719 0.000 0.919 142 G HN 0.429 nan 8.290 nan 0.000 0.496 143 K N -0.384 119.447 120.400 -0.948 0.000 2.508 143 K HA 0.627 4.947 4.320 -0.000 0.000 0.260 143 K C -0.170 176.296 176.600 -0.224 0.000 0.949 143 K CA -0.639 55.432 56.287 -0.361 0.000 0.834 143 K CB 1.740 34.173 32.500 -0.112 0.000 1.365 143 K HN 0.105 nan 8.250 nan 0.000 0.437 144 T N 2.147 116.787 114.554 0.144 0.000 2.845 144 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 144 T C 0.348 175.121 174.700 0.122 0.000 0.980 144 T CA -0.383 61.899 62.100 0.303 0.000 1.071 144 T CB 0.428 69.577 68.868 0.468 0.000 0.941 144 T HN 0.298 nan 8.240 nan 0.000 0.487 145 I N 3.743 124.344 120.570 0.052 0.000 2.498 145 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 145 I C -0.727 175.309 176.117 -0.134 0.000 1.032 145 I CA -1.068 60.121 61.300 -0.185 0.000 1.073 145 I CB 1.852 39.654 38.000 -0.331 0.000 1.251 145 I HN 0.321 nan 8.210 nan 0.000 0.426 146 I N 4.875 125.325 120.570 -0.201 0.000 2.339 146 I HA 0.513 4.683 4.170 -0.000 0.000 0.290 146 I C 0.284 176.223 176.117 -0.296 0.000 0.994 146 I CA -0.597 60.565 61.300 -0.230 0.000 1.191 146 I CB 1.438 39.300 38.000 -0.230 0.000 1.343 146 I HN 0.583 nan 8.210 nan 0.000 0.458 147 A N 6.611 129.255 122.820 -0.294 0.000 2.273 147 A HA 0.492 4.811 4.320 -0.000 0.000 0.315 147 A C -0.415 177.005 177.584 -0.273 0.000 1.256 147 A CA -0.569 51.335 52.037 -0.222 0.000 0.851 147 A CB 0.225 19.130 19.000 -0.157 0.000 1.172 147 A HN 0.688 nan 8.150 nan 0.000 0.508 148 H N 2.794 121.814 119.070 -0.083 0.000 2.872 148 H HA 0.286 4.842 4.556 -0.000 0.000 0.273 148 H C -0.705 174.576 175.328 -0.078 0.000 1.205 148 H CA -0.007 55.997 56.048 -0.072 0.000 1.342 148 H CB 0.701 30.421 29.762 -0.069 0.000 1.469 148 H HN 0.321 nan 8.280 nan 0.000 0.487 149 V N 6.978 126.890 119.914 -0.004 0.000 2.370 149 V HA 0.178 4.298 4.120 -0.000 0.000 0.279 149 V C -1.845 174.236 176.094 -0.021 0.000 1.029 149 V CA -1.730 60.553 62.300 -0.028 0.000 0.870 149 V CB 1.703 33.497 31.823 -0.049 0.000 0.984 149 V HN 0.590 nan 8.190 nan 0.000 0.451 150 P HA 0.343 nan 4.420 nan 0.000 0.274 150 P C -1.037 176.248 177.300 -0.025 0.000 1.231 150 P CA -0.172 62.914 63.100 -0.024 0.000 0.790 150 P CB 1.702 33.383 31.700 -0.032 0.000 0.951 151 V N 1.817 121.719 119.914 -0.020 0.000 2.686 151 V HA 0.397 4.517 4.120 -0.000 0.000 0.306 151 V C -0.327 175.756 176.094 -0.017 0.000 1.065 151 V CA -0.340 61.948 62.300 -0.020 0.000 0.894 151 V CB 2.143 33.954 31.823 -0.020 0.000 1.004 151 V HN 0.552 nan 8.190 nan 0.000 0.424 152 S N 1.998 117.688 115.700 -0.016 0.000 2.571 152 S HA 0.685 5.155 4.470 -0.000 0.000 0.284 152 S C 0.632 175.224 174.600 -0.013 0.000 1.128 152 S CA 0.019 58.211 58.200 -0.014 0.000 0.970 152 S CB 1.659 64.851 63.200 -0.012 0.000 1.039 152 S HN 1.776 nan 8.310 nan 0.000 0.485 153 G N 1.364 110.157 108.800 -0.012 0.000 2.225 153 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.267 153 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.267 153 G C 1.101 175.993 174.900 -0.014 0.000 1.024 153 G CA 0.587 45.680 45.100 -0.012 0.000 0.784 153 G HN 2.094 nan 8.290 nan 0.000 0.507 154 G N -2.401 106.389 108.800 -0.016 0.000 2.189 154 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.267 154 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.267 154 G C 0.254 175.141 174.900 -0.022 0.000 0.975 154 G CA 1.393 46.481 45.100 -0.019 0.000 0.644 154 G HN 1.196 nan 8.290 nan 0.000 0.537 155 Q N -0.551 119.238 119.800 -0.018 0.000 2.399 155 Q HA 0.611 4.951 4.340 -0.000 0.000 0.276 155 Q C 0.451 176.441 176.000 -0.018 0.000 1.098 155 Q CA -0.910 54.883 55.803 -0.016 0.000 0.827 155 Q CB 2.014 30.746 28.738 -0.010 0.000 1.386 155 Q HN 0.235 nan 8.270 nan 0.000 0.443 156 V N 2.175 122.079 119.914 -0.018 0.000 2.644 156 V HA -0.140 3.980 4.120 -0.000 0.000 0.305 156 V C 0.481 176.560 176.094 -0.024 0.000 1.053 156 V CA 0.387 62.672 62.300 -0.025 0.000 1.186 156 V CB 0.237 32.042 31.823 -0.029 0.000 0.895 156 V HN 0.624 nan 8.190 nan 0.000 0.490 157 Q N 4.253 124.038 119.800 -0.025 0.000 2.344 157 Q HA 0.153 4.492 4.340 -0.000 0.000 0.253 157 Q C 0.651 176.636 176.000 -0.025 0.000 1.050 157 Q CA 0.459 56.248 55.803 -0.022 0.000 0.912 157 Q CB 0.816 29.543 28.738 -0.019 0.000 1.258 157 Q HN 0.762 nan 8.270 nan 0.000 0.443 158 E N 1.741 121.926 120.200 -0.026 0.000 2.166 158 E HA 0.037 4.387 4.350 -0.000 0.000 0.192 158 E C 0.131 176.724 176.600 -0.012 0.000 0.967 158 E CA 0.859 57.242 56.400 -0.030 0.000 0.840 158 E CB 0.368 30.041 29.700 -0.045 0.000 0.795 158 E HN 0.762 nan 8.360 nan 0.000 0.470 159 T N -1.015 113.534 114.554 -0.009 0.000 2.918 159 T HA 0.659 5.009 4.350 -0.000 0.000 0.283 159 T C 0.433 175.145 174.700 0.020 0.000 1.001 159 T CA -0.202 61.900 62.100 0.003 0.000 1.041 159 T CB 1.917 70.780 68.868 -0.009 0.000 1.028 159 T HN 0.196 nan 8.240 nan 0.000 0.511 160 G N 0.169 108.992 108.800 0.038 0.000 2.333 160 G HA2 0.363 4.323 3.960 -0.000 0.000 0.288 160 G HA3 0.363 4.323 3.960 -0.000 0.000 0.288 160 G C -1.295 173.651 174.900 0.077 0.000 1.286 160 G CA -0.597 44.535 45.100 0.054 0.000 0.865 160 G HN 0.536 nan 8.290 nan 0.000 0.506 161 D N -0.370 120.086 120.400 0.093 0.000 2.479 161 D HA 0.223 4.863 4.640 -0.000 0.000 0.218 161 D C -0.169 176.194 176.300 0.105 0.000 1.177 161 D CA -0.136 53.911 54.000 0.079 0.000 0.830 161 D CB 0.454 41.285 40.800 0.051 0.000 1.014 161 D HN 0.157 nan 8.370 nan 0.000 0.503 162 F N 2.268 122.219 119.950 0.001 0.000 2.445 162 F HA 0.231 4.757 4.527 -0.000 0.000 0.359 162 F C 0.433 176.234 175.800 0.002 0.000 1.101 162 F CA -0.431 57.567 58.000 -0.003 0.000 1.177 162 F CB 0.561 39.559 39.000 -0.005 0.000 1.110 162 F HN -0.276 nan 8.300 nan 0.000 0.522 163 E N 5.669 125.395 120.200 -0.790 0.000 2.216 163 E HA 0.444 4.794 4.350 -0.000 0.000 0.279 163 E C -1.543 174.539 176.600 -0.862 0.000 0.997 163 E CA -0.984 55.056 56.400 -0.600 0.000 0.817 163 E CB 2.023 31.517 29.700 -0.345 0.000 1.096 163 E HN 0.531 nan 8.360 nan 0.000 0.393 164 L N 2.874 123.838 121.223 -0.431 0.000 2.381 164 L HA 0.282 4.622 4.340 -0.000 0.000 0.274 164 L C -0.927 175.875 176.870 -0.114 0.000 0.988 164 L CA -0.622 54.072 54.840 -0.243 0.000 0.824 164 L CB 1.780 43.812 42.059 -0.047 0.000 1.263 164 L HN 0.411 nan 8.230 nan 0.000 0.410 165 D N 3.530 123.890 120.400 -0.067 0.000 2.533 165 D HA 0.385 5.025 4.640 -0.000 0.000 0.236 165 D C 1.247 177.552 176.300 0.007 0.000 1.137 165 D CA 2.034 56.028 54.000 -0.009 0.000 0.867 165 D CB 0.701 41.512 40.800 0.018 0.000 1.170 165 D HN 0.959 nan 8.370 nan 0.000 0.474 166 G N 2.003 110.807 108.800 0.006 0.000 2.199 166 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 166 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 166 G C 0.157 175.044 174.900 -0.022 0.000 0.982 166 G CA 0.239 45.339 45.100 -0.001 0.000 0.632 166 G HN 0.630 nan 8.290 nan 0.000 0.529 167 V N 1.991 121.884 119.914 -0.036 0.000 2.347 167 V HA 0.439 4.559 4.120 -0.000 0.000 0.280 167 V C 1.653 177.687 176.094 -0.099 0.000 1.021 167 V CA 0.404 62.682 62.300 -0.037 0.000 0.847 167 V CB 1.184 33.005 31.823 -0.004 0.000 0.990 167 V HN 0.319 nan 8.190 nan 0.000 0.444 168 T N 4.321 118.779 114.554 -0.159 0.000 2.684 168 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 168 T C 0.351 174.712 174.700 -0.566 0.000 1.036 168 T CA 1.858 63.700 62.100 -0.429 0.000 1.148 168 T CB -0.162 68.352 68.868 -0.590 0.000 0.863 168 T HN 0.386 nan 8.240 nan 0.000 0.436 169 F N 1.516 121.451 119.950 -0.025 0.000 2.522 169 F HA 0.475 5.002 4.527 -0.000 0.000 0.324 169 F C -2.252 173.533 175.800 -0.026 0.000 1.077 169 F CA -3.054 54.931 58.000 -0.025 0.000 0.944 169 F CB 0.857 39.846 39.000 -0.018 0.000 1.175 169 F HN -0.177 nan 8.300 nan 0.000 0.468 170 P HA 0.484 nan 4.420 nan 0.000 0.272 170 P C -1.058 176.310 177.300 0.113 0.000 1.223 170 P CA -0.115 63.033 63.100 0.081 0.000 0.784 170 P CB 1.370 33.098 31.700 0.047 0.000 0.923 171 A N 0.744 123.643 122.820 0.133 0.000 2.534 171 A HA 0.737 5.057 4.320 -0.000 0.000 0.300 171 A C -1.089 176.593 177.584 0.164 0.000 1.223 171 A CA -0.452 51.658 52.037 0.121 0.000 0.666 171 A CB 0.636 19.697 19.000 0.101 0.000 1.316 171 A HN 0.550 nan 8.150 nan 0.000 0.468 172 A N -0.084 122.792 122.820 0.093 0.000 2.371 172 A HA 0.545 4.864 4.320 -0.000 0.000 0.257 172 A C 0.177 177.759 177.584 -0.003 0.000 1.089 172 A CA 0.093 52.160 52.037 0.050 0.000 0.794 172 A CB -0.015 18.985 19.000 0.001 0.000 1.029 172 A HN 0.760 nan 8.150 nan 0.000 0.488 173 E N 1.456 121.564 120.200 -0.153 0.000 2.289 173 E HA 0.422 4.772 4.350 -0.000 0.000 0.278 173 E C -1.148 175.258 176.600 -0.324 0.000 1.032 173 E CA -0.136 55.931 56.400 -0.554 0.000 0.854 173 E CB 0.384 29.593 29.700 -0.819 0.000 1.046 173 E HN 0.524 nan 8.360 nan 0.000 0.409 174 I N 5.128 125.520 120.570 -0.296 0.000 2.382 174 I HA 0.188 4.358 4.170 -0.000 0.000 0.286 174 I C -0.608 175.422 176.117 -0.144 0.000 1.002 174 I CA -0.971 60.238 61.300 -0.151 0.000 1.135 174 I CB 1.772 39.719 38.000 -0.087 0.000 1.288 174 I HN 0.306 nan 8.210 nan 0.000 0.448 175 V N 7.496 127.359 119.914 -0.085 0.000 2.498 175 V HA 0.333 4.453 4.120 -0.000 0.000 0.279 175 V C 0.196 176.338 176.094 0.080 0.000 1.048 175 V CA -0.292 61.990 62.300 -0.031 0.000 0.967 175 V CB 1.295 33.070 31.823 -0.081 0.000 0.988 175 V HN 0.467 nan 8.190 nan 0.000 0.473 176 L N 5.066 126.327 121.223 0.063 0.000 2.334 176 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 176 L C -0.122 176.770 176.870 0.037 0.000 1.014 176 L CA -0.488 54.349 54.840 -0.004 0.000 0.815 176 L CB 1.797 43.829 42.059 -0.045 0.000 1.268 176 L HN 0.615 nan 8.230 nan 0.000 0.428 177 E N 2.919 123.080 120.200 -0.064 0.000 2.185 177 E HA 0.373 4.722 4.350 -0.000 0.000 0.261 177 E C -1.526 174.997 176.600 -0.129 0.000 0.879 177 E CA -0.502 55.913 56.400 0.024 0.000 0.756 177 E CB 1.832 31.592 29.700 0.099 0.000 1.152 177 E HN 0.252 nan 8.360 nan 0.000 0.416 178 F N 2.997 122.988 119.950 0.069 0.000 2.371 178 F HA 0.248 4.775 4.527 -0.000 0.000 0.363 178 F C 0.315 176.156 175.800 0.068 0.000 1.122 178 F CA -0.627 57.411 58.000 0.064 0.000 1.129 178 F CB 0.492 39.522 39.000 0.049 0.000 1.173 178 F HN 0.220 nan 8.300 nan 0.000 0.489 179 L N 4.058 125.393 121.223 0.186 0.000 2.349 179 L HA 0.203 4.543 4.340 -0.000 0.000 0.275 179 L C 0.073 177.037 176.870 0.158 0.000 1.115 179 L CA -0.604 54.329 54.840 0.156 0.000 0.820 179 L CB 0.458 42.599 42.059 0.137 0.000 1.135 179 L HN 0.593 nan 8.230 nan 0.000 0.445 180 D N 1.296 121.776 120.400 0.133 0.000 2.735 180 D HA -0.123 4.517 4.640 -0.000 0.000 0.235 180 D C -2.096 174.267 176.300 0.104 0.000 1.175 180 D CA 0.242 54.310 54.000 0.113 0.000 0.683 180 D CB -0.853 40.014 40.800 0.111 0.000 1.008 180 D HN 0.344 nan 8.370 nan 0.000 0.416 181 P HA 0.245 nan 4.420 nan 0.000 0.272 181 P C -0.143 177.181 177.300 0.039 0.000 1.223 181 P CA -0.055 63.091 63.100 0.077 0.000 0.784 181 P CB 1.317 33.054 31.700 0.062 0.000 0.923 188 G N -0.749 108.046 108.800 -0.009 0.000 2.574 188 G HA2 1.006 4.965 3.960 -0.000 0.000 0.248 188 G HA3 1.006 4.965 3.960 -0.000 0.000 0.248 188 G C 1.015 175.915 174.900 -0.001 0.000 1.422 188 G CA 0.391 45.487 45.100 -0.006 0.000 1.051 188 G HN 1.786 nan 8.290 nan 0.000 0.560 189 G N -1.894 106.911 108.800 0.007 0.000 2.627 189 G HA2 0.387 4.346 3.960 -0.000 0.000 0.214 189 G HA3 0.387 4.346 3.960 -0.000 0.000 0.214 189 G C 0.350 175.260 174.900 0.016 0.000 1.331 189 G CA 0.089 45.199 45.100 0.016 0.000 0.891 189 G HN 2.022 nan 8.290 nan 0.000 0.539 190 A N -0.519 122.321 122.820 0.033 0.000 2.520 190 A HA 0.496 4.816 4.320 -0.000 0.000 0.235 190 A C 1.821 179.403 177.584 -0.004 0.000 1.065 190 A CA 0.543 52.610 52.037 0.051 0.000 0.764 190 A CB 0.011 19.068 19.000 0.096 0.000 1.002 190 A HN 1.173 nan 8.150 nan 0.000 0.502 191 I N 0.286 120.833 120.570 -0.038 0.000 2.286 191 I HA -0.134 4.035 4.170 -0.000 0.000 0.248 191 I C 0.222 176.032 176.117 -0.513 0.000 1.115 191 I CA 1.579 62.710 61.300 -0.283 0.000 1.392 191 I CB -1.039 36.772 38.000 -0.314 0.000 1.065 191 I HN 0.503 nan 8.210 nan 0.000 0.418 192 F N 2.148 122.151 119.950 0.088 0.000 2.443 192 F HA 0.348 4.875 4.527 -0.000 0.000 0.369 192 F C -1.337 174.506 175.800 0.071 0.000 1.090 192 F CA -2.292 55.754 58.000 0.076 0.000 1.129 192 F CB 0.446 39.504 39.000 0.098 0.000 1.367 192 F HN -0.114 nan 8.300 nan 0.000 0.465 193 P HA -0.141 nan 4.420 nan 0.000 0.220 193 P C 1.461 178.837 177.300 0.125 0.000 1.148 193 P CA 1.397 64.568 63.100 0.118 0.000 0.803 193 P CB -0.105 31.639 31.700 0.072 0.000 0.782 194 T N -5.006 109.638 114.554 0.150 0.000 3.088 194 T HA 0.247 4.597 4.350 -0.000 0.000 0.259 194 T C 1.629 176.397 174.700 0.113 0.000 1.122 194 T CA 0.819 62.988 62.100 0.114 0.000 1.095 194 T CB -0.992 67.937 68.868 0.102 0.000 0.930 194 T HN 0.246 nan 8.240 nan 0.000 0.508 195 G N 1.343 110.239 108.800 0.160 0.000 2.179 195 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.260 195 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.260 195 G C -0.165 174.781 174.900 0.078 0.000 0.977 195 G CA 0.013 45.196 45.100 0.138 0.000 0.641 195 G HN 0.663 nan 8.290 nan 0.000 0.533 196 N N -0.630 118.094 118.700 0.040 0.000 2.240 196 N HA 0.556 5.296 4.740 -0.000 0.000 0.302 196 N C 1.258 176.622 175.510 -0.242 0.000 1.106 196 N CA -0.682 52.327 53.050 -0.068 0.000 0.778 196 N CB 1.690 40.167 38.487 -0.016 0.000 1.431 196 N HN -0.015 nan 8.380 nan 0.000 0.479 197 L N 0.250 121.246 121.223 -0.378 0.000 2.156 197 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 197 L C 0.165 176.912 176.870 -0.205 0.000 1.095 197 L CA 0.900 55.409 54.840 -0.552 0.000 0.770 197 L CB 0.144 41.945 42.059 -0.430 0.000 0.914 197 L HN 0.210 nan 8.230 nan 0.000 0.439 198 V N -1.015 118.841 119.914 -0.097 0.000 2.808 198 V HA 0.392 4.511 4.120 -0.000 0.000 0.308 198 V C -1.100 175.001 176.094 0.012 0.000 1.099 198 V CA -0.969 61.324 62.300 -0.012 0.000 0.920 198 V CB 2.630 34.448 31.823 -0.008 0.000 1.014 198 V HN -0.024 nan 8.190 nan 0.000 0.425 199 D N 1.160 121.588 120.400 0.046 0.000 2.477 199 D HA 0.385 5.025 4.640 -0.000 0.000 0.234 199 D C -1.476 174.857 176.300 0.056 0.000 1.048 199 D CA -0.534 53.495 54.000 0.048 0.000 0.959 199 D CB 2.540 43.377 40.800 0.061 0.000 1.408 199 D HN 0.489 nan 8.370 nan 0.000 0.496 200 D N 1.634 122.059 120.400 0.042 0.000 2.396 200 D HA 0.213 4.853 4.640 -0.000 0.000 0.225 200 D C -0.384 175.937 176.300 0.036 0.000 1.121 200 D CA -0.377 53.645 54.000 0.037 0.000 0.853 200 D CB 1.303 42.110 40.800 0.012 0.000 1.043 200 D HN 0.048 nan 8.370 nan 0.000 0.500 201 L N 2.772 124.033 121.223 0.063 0.000 2.261 201 L HA 0.185 4.525 4.340 -0.000 0.000 0.289 201 L C 0.238 177.117 176.870 0.015 0.000 1.059 201 L CA -0.218 54.663 54.840 0.067 0.000 0.816 201 L CB 0.703 42.839 42.059 0.129 0.000 1.191 201 L HN 0.159 nan 8.230 nan 0.000 0.431 202 E N 4.235 124.428 120.200 -0.011 0.000 2.180 202 E HA 0.256 4.606 4.350 -0.000 0.000 0.283 202 E C -1.070 175.513 176.600 -0.029 0.000 1.061 202 E CA -0.303 56.063 56.400 -0.056 0.000 0.861 202 E CB 1.207 30.881 29.700 -0.042 0.000 1.056 202 E HN 0.421 nan 8.360 nan 0.000 0.407 203 V N 6.342 126.219 119.914 -0.061 0.000 2.275 203 V HA 0.197 4.317 4.120 -0.000 0.000 0.272 203 V C -2.247 173.829 176.094 -0.030 0.000 1.028 203 V CA -2.187 60.113 62.300 0.001 0.000 0.810 203 V CB 0.785 32.670 31.823 0.104 0.000 1.043 203 V HN 0.561 nan 8.190 nan 0.000 0.453 204 P HA 0.080 nan 4.420 nan 0.000 0.260 204 P C 1.219 178.508 177.300 -0.017 0.000 1.172 204 P CA 1.720 64.806 63.100 -0.023 0.000 0.760 204 P CB 0.437 32.131 31.700 -0.010 0.000 0.773 205 G N 1.791 110.573 108.800 -0.029 0.000 2.220 205 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.269 205 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.269 205 G C 0.802 175.692 174.900 -0.016 0.000 0.977 205 G CA 0.477 45.565 45.100 -0.022 0.000 0.634 205 G HN 0.432 nan 8.290 nan 0.000 0.539 206 V N -0.684 119.221 119.914 -0.015 0.000 2.806 206 V HA 0.679 4.799 4.120 -0.000 0.000 0.239 206 V C 1.499 177.571 176.094 -0.036 0.000 1.113 206 V CA 1.743 64.063 62.300 0.033 0.000 1.137 206 V CB 0.336 32.233 31.823 0.123 0.000 0.865 206 V HN 1.843 nan 8.190 nan 0.000 0.482 207 G N -0.675 107.973 108.800 -0.253 0.000 2.341 207 G HA2 0.354 4.314 3.960 -0.000 0.000 0.293 207 G HA3 0.354 4.314 3.960 -0.000 0.000 0.293 207 G C -1.200 173.181 174.900 -0.864 0.000 1.298 207 G CA -0.132 44.584 45.100 -0.641 0.000 0.868 207 G HN -0.063 nan 8.290 nan 0.000 0.540 208 T N 0.774 114.792 114.554 -0.893 0.000 2.809 208 T HA 0.704 5.054 4.350 -0.000 0.000 0.284 208 T C -1.324 173.025 174.700 -0.586 0.000 0.992 208 T CA -0.062 61.690 62.100 -0.580 0.000 0.957 208 T CB 0.737 69.450 68.868 -0.260 0.000 0.942 208 T HN 0.408 nan 8.240 nan 0.000 0.439 209 F N 1.946 121.904 119.950 0.012 0.000 2.563 209 F HA 0.502 5.029 4.527 -0.000 0.000 0.316 209 F C 0.428 176.246 175.800 0.030 0.000 1.076 209 F CA -1.576 56.436 58.000 0.020 0.000 0.921 209 F CB 1.249 40.263 39.000 0.023 0.000 1.209 209 F HN 0.104 nan 8.300 nan 0.000 0.462 210 K N 1.822 122.365 120.400 0.239 0.000 2.448 210 K HA 0.605 4.925 4.320 -0.000 0.000 0.278 210 K C -0.388 176.309 176.600 0.163 0.000 1.009 210 K CA -0.015 56.363 56.287 0.151 0.000 0.995 210 K CB 0.644 33.211 32.500 0.111 0.000 0.917 210 K HN 0.770 nan 8.250 nan 0.000 0.481 211 A N 2.353 125.254 122.820 0.135 0.000 2.547 211 A HA 0.536 4.856 4.320 -0.000 0.000 0.297 211 A C -0.423 177.247 177.584 0.143 0.000 1.056 211 A CA -0.633 51.494 52.037 0.150 0.000 0.688 211 A CB 1.414 20.506 19.000 0.154 0.000 1.282 211 A HN 0.547 nan 8.150 nan 0.000 0.400 215 N N 6.172 124.758 118.700 -0.190 0.000 2.817 215 N HA 0.784 5.524 4.740 -0.000 0.000 0.234 215 N C -1.395 174.029 175.510 -0.143 0.000 1.066 215 N CA -0.043 52.930 53.050 -0.127 0.000 0.926 215 N CB 1.187 39.621 38.487 -0.088 0.000 1.176 215 N HN 0.711 nan 8.380 nan 0.000 0.506 216 A N 1.252 124.002 122.820 -0.116 0.000 2.485 216 A HA 0.622 4.942 4.320 -0.000 0.000 0.285 216 A C 0.919 178.459 177.584 -0.073 0.000 1.045 216 A CA -0.091 51.886 52.037 -0.100 0.000 0.792 216 A CB 0.447 19.371 19.000 -0.126 0.000 1.307 216 A HN 0.806 nan 8.150 nan 0.000 0.406 217 G N 1.410 110.168 108.800 -0.071 0.000 4.039 217 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.220 217 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.220 217 G C 0.342 175.197 174.900 -0.076 0.000 1.391 217 G CA 0.927 45.981 45.100 -0.076 0.000 0.920 217 G HN 1.982 nan 8.290 nan 0.000 0.599 218 I N 1.463 121.987 120.570 -0.078 0.000 2.842 218 I HA 0.524 4.694 4.170 -0.000 0.000 0.297 218 I C -2.646 173.419 176.117 -0.087 0.000 1.380 218 I CA -2.501 58.752 61.300 -0.078 0.000 1.018 218 I CB 2.339 40.288 38.000 -0.084 0.000 1.311 218 I HN 0.059 nan 8.210 nan 0.000 0.439 219 P HA 0.133 nan 4.420 nan 0.000 0.262 219 P C -1.478 175.751 177.300 -0.120 0.000 1.199 219 P CA 0.334 63.386 63.100 -0.079 0.000 0.763 219 P CB 0.326 31.994 31.700 -0.052 0.000 0.790 220 T N 2.566 117.026 114.554 -0.158 0.000 2.886 220 T HA 0.351 4.701 4.350 -0.000 0.000 0.292 220 T C -0.444 174.088 174.700 -0.279 0.000 1.012 220 T CA -0.534 61.379 62.100 -0.312 0.000 0.982 220 T CB 1.193 69.730 68.868 -0.552 0.000 1.018 220 T HN -0.100 nan 8.240 nan 0.000 0.451 221 V N 3.894 123.640 119.914 -0.280 0.000 2.364 221 V HA 0.472 4.591 4.120 -0.000 0.000 0.272 221 V C -0.770 175.184 176.094 -0.234 0.000 1.036 221 V CA -0.638 61.575 62.300 -0.146 0.000 0.880 221 V CB -0.174 31.621 31.823 -0.046 0.000 0.991 221 V HN 0.737 nan 8.190 nan 0.000 0.460 222 F N 4.489 124.452 119.950 0.023 0.000 2.421 222 F HA 0.746 5.273 4.527 -0.000 0.000 0.337 222 F C 0.270 176.098 175.800 0.047 0.000 1.105 222 F CA -0.589 57.421 58.000 0.018 0.000 1.049 222 F CB 2.027 41.022 39.000 -0.008 0.000 1.139 222 F HN 0.412 nan 8.300 nan 0.000 0.479 223 V N -0.162 119.908 119.914 0.259 0.000 3.130 223 V HA 0.600 4.720 4.120 -0.000 0.000 0.310 223 V C -0.831 175.363 176.094 0.168 0.000 1.158 223 V CA -1.175 61.225 62.300 0.167 0.000 1.029 223 V CB 1.980 33.844 31.823 0.068 0.000 1.057 223 V HN 0.596 nan 8.190 nan 0.000 0.436 224 N N 1.425 120.189 118.700 0.107 0.000 2.430 224 N HA 0.448 5.188 4.740 -0.000 0.000 0.265 224 N C 1.236 176.806 175.510 0.100 0.000 1.100 224 N CA 0.525 53.637 53.050 0.104 0.000 0.961 224 N CB 1.703 40.236 38.487 0.075 0.000 1.075 224 N HN 1.048 nan 8.380 nan 0.000 0.478 225 A N 3.134 126.073 122.820 0.198 0.000 1.909 225 A HA -0.287 4.033 4.320 -0.000 0.000 0.221 225 A C 1.937 179.584 177.584 0.105 0.000 1.223 225 A CA 1.968 54.143 52.037 0.231 0.000 0.658 225 A CB -0.621 18.598 19.000 0.365 0.000 0.831 225 A HN 0.829 nan 8.150 nan 0.000 0.462 226 E N -0.856 119.396 120.200 0.086 0.000 2.085 226 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 226 E C 2.104 178.716 176.600 0.020 0.000 0.994 226 E CA 1.392 57.822 56.400 0.050 0.000 0.801 226 E CB -0.171 29.558 29.700 0.049 0.000 0.743 226 E HN 0.775 nan 8.360 nan 0.000 0.453 227 E N 0.290 120.502 120.200 0.020 0.000 2.110 227 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 227 E C 2.057 178.614 176.600 -0.073 0.000 0.988 227 E CA 1.369 57.790 56.400 0.035 0.000 0.804 227 E CB -0.166 29.595 29.700 0.101 0.000 0.745 227 E HN 0.523 nan 8.360 nan 0.000 0.458 228 I N -4.174 116.249 120.570 -0.244 0.000 3.812 228 I HA 0.397 4.567 4.170 -0.000 0.000 0.320 228 I C 1.020 177.042 176.117 -0.159 0.000 1.276 228 I CA 0.517 61.556 61.300 -0.435 0.000 1.164 228 I CB 0.627 38.242 38.000 -0.641 0.000 1.009 228 I HN 0.138 nan 8.210 nan 0.000 0.431 229 G N 0.388 109.130 108.800 -0.097 0.000 2.138 229 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.193 229 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.193 229 G C -0.369 174.314 174.900 -0.362 0.000 0.998 229 G CA -0.292 44.690 45.100 -0.197 0.000 0.668 229 G HN 0.433 nan 8.290 nan 0.000 0.516 230 Y N -1.706 118.496 120.300 -0.163 0.000 2.587 230 Y HA 0.747 5.296 4.550 -0.000 0.000 0.337 230 Y C 1.251 177.155 175.900 0.006 0.000 1.065 230 Y CA -0.892 57.144 58.100 -0.106 0.000 1.126 230 Y CB 1.373 39.671 38.460 -0.270 0.000 1.279 230 Y HN -0.007 nan 8.280 nan 0.000 0.489 231 R N 0.436 121.068 120.500 0.220 0.000 2.206 231 R HA 0.264 4.604 4.340 -0.000 0.000 0.198 231 R C 1.190 177.603 176.300 0.190 0.000 0.986 231 R CA 1.271 57.463 56.100 0.153 0.000 1.029 231 R CB -0.075 30.291 30.300 0.110 0.000 0.966 231 R HN 1.028 nan 8.270 nan 0.000 0.487 232 G N -1.318 107.670 108.800 0.313 0.000 2.213 232 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.226 232 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.226 232 G C 0.868 175.775 174.900 0.013 0.000 0.992 232 G CA 0.697 45.940 45.100 0.239 0.000 0.632 232 G HN 0.477 nan 8.290 nan 0.000 0.511 233 T N -1.108 113.451 114.554 0.008 0.000 3.060 233 T HA 0.437 4.787 4.350 -0.000 0.000 0.249 233 T C 0.678 175.357 174.700 -0.036 0.000 1.079 233 T CA 0.740 62.739 62.100 -0.168 0.000 1.013 233 T CB 0.528 69.365 68.868 -0.052 0.000 0.975 233 T HN 0.330 nan 8.240 nan 0.000 0.518 234 E N 1.419 121.696 120.200 0.128 0.000 2.481 234 E HA 0.323 4.673 4.350 -0.000 0.000 0.263 234 E C -0.074 176.600 176.600 0.123 0.000 0.992 234 E CA 0.215 56.727 56.400 0.186 0.000 0.938 234 E CB 0.315 30.227 29.700 0.352 0.000 0.933 234 E HN 0.472 nan 8.360 nan 0.000 0.453 235 L N 2.686 123.985 121.223 0.127 0.000 2.397 235 L HA 0.413 4.753 4.340 -0.000 0.000 0.266 235 L C 1.834 178.766 176.870 0.102 0.000 1.040 235 L CA -0.912 53.994 54.840 0.110 0.000 0.800 235 L CB 0.540 42.667 42.059 0.113 0.000 1.324 235 L HN 0.488 nan 8.230 nan 0.000 0.469 236 R N 0.048 120.597 120.500 0.082 0.000 2.081 236 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 236 R C 1.892 178.232 176.300 0.067 0.000 1.131 236 R CA 1.540 57.678 56.100 0.064 0.000 0.960 236 R CB -0.139 30.188 30.300 0.045 0.000 0.856 236 R HN 0.625 nan 8.270 nan 0.000 0.436 237 E N 1.187 121.425 120.200 0.064 0.000 2.160 237 E HA -0.214 4.135 4.350 -0.000 0.000 0.195 237 E C 1.415 178.058 176.600 0.072 0.000 0.991 237 E CA 1.487 57.921 56.400 0.057 0.000 0.810 237 E CB 0.136 29.865 29.700 0.049 0.000 0.742 237 E HN 0.504 nan 8.360 nan 0.000 0.466 238 E N -0.527 119.730 120.200 0.094 0.000 2.502 238 E HA -0.040 4.309 4.350 -0.000 0.000 0.194 238 E C 1.644 178.333 176.600 0.148 0.000 1.062 238 E CA 0.277 56.743 56.400 0.109 0.000 0.867 238 E CB 0.239 30.007 29.700 0.114 0.000 0.888 238 E HN 0.373 nan 8.360 nan 0.000 0.510 239 I N 0.345 121.005 120.570 0.150 0.000 3.673 239 I HA -0.002 4.168 4.170 -0.000 0.000 0.281 239 I C 1.327 177.520 176.117 0.126 0.000 1.182 239 I CA -0.178 61.233 61.300 0.185 0.000 1.391 239 I CB 0.110 38.231 38.000 0.203 0.000 1.383 239 I HN -0.057 nan 8.210 nan 0.000 0.456 240 N N 1.526 120.276 118.700 0.083 0.000 2.520 240 N HA -0.064 4.676 4.740 -0.000 0.000 0.185 240 N C 1.535 177.074 175.510 0.048 0.000 1.068 240 N CA 1.080 54.162 53.050 0.054 0.000 0.911 240 N CB -0.239 38.265 38.487 0.029 0.000 0.961 240 N HN 0.392 nan 8.380 nan 0.000 0.446 241 G N -1.122 107.710 108.800 0.054 0.000 3.042 241 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 241 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 241 G C -0.172 174.757 174.900 0.047 0.000 1.166 241 G CA -0.111 45.015 45.100 0.043 0.000 0.767 241 G HN 0.090 nan 8.290 nan 0.000 0.546 242 D N 0.021 120.459 120.400 0.064 0.000 2.464 242 D HA 0.344 4.984 4.640 -0.000 0.000 0.243 242 D C -1.641 174.699 176.300 0.067 0.000 1.104 242 D CA -2.273 51.764 54.000 0.062 0.000 0.883 242 D CB 1.969 42.812 40.800 0.072 0.000 1.050 242 D HN -0.098 nan 8.370 nan 0.000 0.524 243 P HA -0.161 nan 4.420 nan 0.000 0.217 243 P C 1.252 178.580 177.300 0.048 0.000 1.148 243 P CA 1.163 64.290 63.100 0.046 0.000 0.828 243 P CB 0.405 32.123 31.700 0.030 0.000 0.783 244 Q N -0.695 119.128 119.800 0.038 0.000 2.084 244 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 244 Q C 2.367 178.386 176.000 0.033 0.000 0.978 244 Q CA 1.335 57.154 55.803 0.026 0.000 0.844 244 Q CB -0.389 28.357 28.738 0.012 0.000 0.898 244 Q HN 0.427 nan 8.270 nan 0.000 0.426 245 Q N 0.226 120.064 119.800 0.062 0.000 2.050 245 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 245 Q C 2.179 178.278 176.000 0.165 0.000 0.980 245 Q CA 1.079 56.940 55.803 0.096 0.000 0.840 245 Q CB -0.065 28.794 28.738 0.202 0.000 0.898 245 Q HN 0.385 nan 8.270 nan 0.000 0.424 246 L N -0.066 121.272 121.223 0.191 0.000 2.093 246 L HA -0.162 4.177 4.340 -0.000 0.000 0.208 246 L C 2.486 179.450 176.870 0.157 0.000 1.085 246 L CA 0.876 55.846 54.840 0.217 0.000 0.755 246 L CB -0.591 41.542 42.059 0.124 0.000 0.904 246 L HN 0.218 nan 8.230 nan 0.000 0.435 247 A N 0.028 122.901 122.820 0.088 0.000 1.933 247 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 247 A C 2.437 180.048 177.584 0.045 0.000 1.175 247 A CA 1.602 53.673 52.037 0.056 0.000 0.628 247 A CB -0.525 18.495 19.000 0.033 0.000 0.814 247 A HN 0.322 nan 8.150 nan 0.000 0.444 248 R N -1.755 118.750 120.500 0.009 0.000 2.081 248 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 248 R C 1.746 178.001 176.300 -0.074 0.000 1.131 248 R CA 1.651 57.714 56.100 -0.061 0.000 0.960 248 R CB -0.367 29.840 30.300 -0.155 0.000 0.856 248 R HN 0.449 nan 8.270 nan 0.000 0.436 249 F N 1.000 120.938 119.950 -0.020 0.000 2.171 249 F HA -0.148 4.378 4.527 -0.000 0.000 0.300 249 F C 2.416 178.201 175.800 -0.025 0.000 1.090 249 F CA 1.651 59.621 58.000 -0.050 0.000 1.293 249 F CB -0.439 38.518 39.000 -0.071 0.000 1.013 249 F HN 0.140 nan 8.300 nan 0.000 0.486 250 E N 0.403 120.710 120.200 0.178 0.000 2.153 250 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 250 E C 2.173 178.815 176.600 0.070 0.000 0.988 250 E CA 1.215 57.673 56.400 0.096 0.000 0.811 250 E CB -0.097 29.641 29.700 0.063 0.000 0.746 250 E HN 0.224 nan 8.360 nan 0.000 0.466 251 R N -0.310 120.228 120.500 0.064 0.000 2.092 251 R HA 0.032 4.372 4.340 -0.000 0.000 0.231 251 R C 2.362 178.704 176.300 0.070 0.000 1.119 251 R CA 1.507 57.639 56.100 0.053 0.000 0.970 251 R CB -0.250 30.076 30.300 0.042 0.000 0.864 251 R HN 0.291 nan 8.270 nan 0.000 0.440 252 I N -0.127 120.496 120.570 0.088 0.000 2.252 252 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 252 I C 2.628 178.800 176.117 0.090 0.000 1.102 252 I CA 1.075 62.443 61.300 0.112 0.000 1.385 252 I CB -0.293 37.772 38.000 0.109 0.000 1.064 252 I HN 0.137 nan 8.210 nan 0.000 0.414 253 R N 0.934 121.483 120.500 0.081 0.000 2.091 253 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 253 R C 2.320 178.640 176.300 0.034 0.000 1.136 253 R CA 1.578 57.705 56.100 0.045 0.000 0.959 253 R CB -0.144 30.175 30.300 0.031 0.000 0.856 253 R HN 0.170 nan 8.270 nan 0.000 0.437 254 V N 0.911 120.847 119.914 0.038 0.000 2.358 254 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 254 V C 2.490 178.603 176.094 0.033 0.000 1.047 254 V CA 1.833 64.150 62.300 0.029 0.000 1.035 254 V CB -0.734 31.105 31.823 0.027 0.000 0.658 254 V HN 0.520 nan 8.190 nan 0.000 0.452 255 A N 0.684 123.530 122.820 0.044 0.000 1.883 255 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 255 A C 2.428 180.040 177.584 0.047 0.000 1.186 255 A CA 2.171 54.236 52.037 0.046 0.000 0.624 255 A CB -1.298 17.739 19.000 0.063 0.000 0.822 255 A HN 0.535 nan 8.150 nan 0.000 0.444 256 G N -0.812 108.019 108.800 0.052 0.000 2.408 256 G HA2 0.044 4.003 3.960 -0.000 0.000 0.217 256 G HA3 0.044 4.003 3.960 -0.000 0.000 0.217 256 G C 1.730 176.649 174.900 0.031 0.000 1.150 256 G CA 1.401 46.529 45.100 0.046 0.000 0.776 256 G HN 0.815 nan 8.290 nan 0.000 0.542 257 A N 0.581 123.415 122.820 0.023 0.000 1.902 257 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 257 A C 2.434 180.030 177.584 0.020 0.000 1.181 257 A CA 1.322 53.368 52.037 0.016 0.000 0.623 257 A CB -0.455 18.552 19.000 0.012 0.000 0.818 257 A HN 0.353 nan 8.150 nan 0.000 0.443 258 L N -0.942 120.295 121.223 0.023 0.000 1.994 258 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 258 L C 1.912 178.797 176.870 0.026 0.000 1.071 258 L CA 1.161 56.014 54.840 0.023 0.000 0.745 258 L CB -0.360 41.712 42.059 0.022 0.000 0.892 258 L HN 0.400 nan 8.230 nan 0.000 0.431 262 L N 0.879 122.112 121.223 0.016 0.000 2.313 262 L HA 0.391 4.731 4.340 -0.000 0.000 0.214 262 L C 1.142 178.019 176.870 0.012 0.000 1.119 262 L CA 0.919 55.766 54.840 0.011 0.000 0.809 262 L CB -0.105 41.958 42.059 0.008 0.000 0.933 262 L HN 0.457 nan 8.230 nan 0.000 0.449 263 I N -6.813 113.765 120.570 0.013 0.000 2.865 263 I HA 0.264 4.434 4.170 -0.000 0.000 0.302 263 I C 0.461 176.586 176.117 0.013 0.000 1.140 263 I CA -0.834 60.474 61.300 0.013 0.000 1.021 263 I CB 2.062 40.070 38.000 0.012 0.000 1.233 263 I HN -0.446 nan 8.210 nan 0.000 0.427 264 K N 0.983 121.390 120.400 0.012 0.000 2.262 264 K HA 0.151 4.471 4.320 -0.000 0.000 0.200 264 K C 0.656 177.263 176.600 0.011 0.000 1.049 264 K CA 1.161 57.455 56.287 0.011 0.000 0.979 264 K CB 0.029 32.535 32.500 0.010 0.000 0.773 264 K HN 0.839 nan 8.250 nan 0.000 0.474 265 T N -0.828 113.732 114.554 0.010 0.000 2.916 265 T HA 0.332 4.682 4.350 -0.000 0.000 0.305 265 T C -2.624 172.082 174.700 0.010 0.000 1.119 265 T CA -2.068 60.038 62.100 0.009 0.000 1.008 265 T CB 1.911 70.784 68.868 0.008 0.000 1.129 265 T HN -0.151 nan 8.240 nan 0.000 0.480 266 P HA -0.007 nan 4.420 nan 0.000 0.219 266 P C 0.761 178.066 177.300 0.010 0.000 1.146 266 P CA 1.003 64.110 63.100 0.011 0.000 0.808 266 P CB 0.218 31.924 31.700 0.011 0.000 0.779 267 E N -0.488 119.716 120.200 0.008 0.000 2.208 267 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 267 E C 1.895 178.499 176.600 0.007 0.000 0.988 267 E CA 0.587 56.992 56.400 0.007 0.000 0.828 267 E CB -0.609 29.094 29.700 0.006 0.000 0.763 267 E HN 0.363 nan 8.360 nan 0.000 0.478 268 E N 0.276 120.481 120.200 0.008 0.000 2.209 268 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 268 E C 1.738 178.344 176.600 0.009 0.000 0.993 268 E CA 0.969 57.375 56.400 0.009 0.000 0.819 268 E CB -0.035 29.671 29.700 0.010 0.000 0.745 268 E HN 0.308 nan 8.360 nan 0.000 0.477 269 A N 0.563 123.388 122.820 0.009 0.000 2.014 269 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 269 A C 2.314 179.900 177.584 0.002 0.000 1.163 269 A CA 1.157 53.198 52.037 0.007 0.000 0.652 269 A CB -0.480 18.525 19.000 0.008 0.000 0.808 269 A HN 0.368 nan 8.150 nan 0.000 0.449 270 A N -0.038 122.784 122.820 0.003 0.000 1.948 270 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 270 A C 2.091 179.674 177.584 -0.002 0.000 1.177 270 A CA 2.303 54.340 52.037 -0.001 0.000 0.636 270 A CB -1.000 18.001 19.000 0.002 0.000 0.815 270 A HN 0.886 nan 8.150 nan 0.000 0.449 271 T N -4.368 110.189 114.554 0.006 0.000 3.215 271 T HA 0.404 4.754 4.350 -0.000 0.000 0.271 271 T C 0.323 175.038 174.700 0.025 0.000 1.012 271 T CA -0.320 61.787 62.100 0.013 0.000 0.899 271 T CB -0.102 68.774 68.868 0.014 0.000 1.089 271 T HN 0.300 nan 8.240 nan 0.000 0.552 272 R N 0.985 121.496 120.500 0.018 0.000 2.687 272 R HA 0.234 4.574 4.340 -0.000 0.000 0.264 272 R C 0.142 176.447 176.300 0.008 0.000 1.715 272 R CA -0.289 55.831 56.100 0.034 0.000 1.633 272 R CB 0.452 30.769 30.300 0.028 0.000 1.353 272 R HN 0.102 nan 8.270 nan 0.000 0.653 273 Q N 0.367 120.147 119.800 -0.034 0.000 2.408 273 Q HA 0.043 4.383 4.340 -0.000 0.000 0.205 273 Q C 0.905 176.794 176.000 -0.185 0.000 0.919 273 Q CA 0.615 56.341 55.803 -0.129 0.000 0.932 273 Q CB 0.527 29.145 28.738 -0.200 0.000 1.058 273 Q HN 0.615 nan 8.270 nan 0.000 0.517 274 H N 0.066 119.123 119.070 -0.022 0.000 2.431 274 H HA 0.073 4.629 4.556 -0.000 0.000 0.295 274 H C 0.685 175.988 175.328 -0.042 0.000 1.038 274 H CA 1.411 57.441 56.048 -0.029 0.000 1.360 274 H CB 0.786 30.532 29.762 -0.025 0.000 1.433 274 H HN 0.192 nan 8.280 nan 0.000 0.536 275 T N -0.712 113.889 114.554 0.077 0.000 2.903 275 T HA 0.373 4.723 4.350 -0.000 0.000 0.299 275 T C -3.000 171.699 174.700 -0.002 0.000 1.093 275 T CA -2.069 60.040 62.100 0.014 0.000 1.002 275 T CB 3.283 72.156 68.868 0.008 0.000 1.127 275 T HN -0.140 nan 8.240 nan 0.000 0.488 276 P HA 0.320 nan 4.420 nan 0.000 0.274 276 P C -0.602 176.651 177.300 -0.079 0.000 1.246 276 P CA -0.579 62.488 63.100 -0.055 0.000 0.795 276 P CB 0.670 32.336 31.700 -0.057 0.000 1.006 277 K N 0.805 121.130 120.400 -0.126 0.000 2.120 277 K HA 0.409 4.729 4.320 -0.000 0.000 0.245 277 K C 0.118 176.596 176.600 -0.204 0.000 1.024 277 K CA -0.554 55.635 56.287 -0.164 0.000 0.906 277 K CB 0.068 32.444 32.500 -0.208 0.000 1.051 277 K HN 0.474 nan 8.250 nan 0.000 0.491 278 I N -0.295 120.154 120.570 -0.201 0.000 2.499 278 I HA 0.488 4.658 4.170 -0.000 0.000 0.288 278 I C -1.529 174.463 176.117 -0.210 0.000 1.048 278 I CA -0.302 60.897 61.300 -0.170 0.000 1.062 278 I CB 1.615 39.587 38.000 -0.046 0.000 1.238 278 I HN 0.647 nan 8.210 nan 0.000 0.426 279 A N 6.353 129.045 122.820 -0.213 0.000 2.539 279 A HA 0.876 5.196 4.320 -0.000 0.000 0.296 279 A C -1.622 176.027 177.584 0.108 0.000 1.073 279 A CA -0.518 51.421 52.037 -0.164 0.000 0.700 279 A CB 1.114 19.936 19.000 -0.296 0.000 1.296 279 A HN 0.749 nan 8.150 nan 0.000 0.405 280 F N 0.175 120.107 119.950 -0.030 0.000 2.551 280 F HA 0.807 5.334 4.527 -0.000 0.000 0.316 280 F C -0.233 175.588 175.800 0.035 0.000 1.089 280 F CA -1.294 56.723 58.000 0.028 0.000 0.915 280 F CB 1.283 40.284 39.000 0.002 0.000 1.186 280 F HN 0.657 nan 8.300 nan 0.000 0.456 281 V N -0.219 119.796 119.914 0.168 0.000 2.960 281 V HA 1.062 5.182 4.120 -0.000 0.000 0.315 281 V C -0.700 175.441 176.094 0.078 0.000 1.087 281 V CA -0.727 61.597 62.300 0.041 0.000 0.982 281 V CB 1.092 32.902 31.823 -0.021 0.000 1.039 281 V HN 1.677 nan 8.190 nan 0.000 0.437 282 A N 2.909 125.748 122.820 0.032 0.000 2.612 282 A HA 0.965 5.285 4.320 -0.000 0.000 0.293 282 A C -3.258 174.340 177.584 0.023 0.000 1.075 282 A CA -1.559 50.506 52.037 0.047 0.000 0.680 282 A CB 1.649 20.693 19.000 0.073 0.000 1.279 282 A HN 0.735 nan 8.150 nan 0.000 0.411 283 P HA 0.305 nan 4.420 nan 0.000 0.271 283 P C -2.629 174.693 177.300 0.036 0.000 1.233 283 P CA -0.884 62.232 63.100 0.026 0.000 0.789 283 P CB -0.562 31.154 31.700 0.027 0.000 0.951 284 P HA 0.255 nan 4.420 nan 0.000 0.269 284 P C -0.442 176.899 177.300 0.068 0.000 1.209 284 P CA 0.350 63.486 63.100 0.061 0.000 0.776 284 P CB 0.526 32.262 31.700 0.059 0.000 0.876 285 R N 0.999 121.559 120.500 0.101 0.000 2.594 285 R HA 0.247 4.587 4.340 -0.000 0.000 0.265 285 R C -1.093 175.320 176.300 0.189 0.000 1.070 285 R CA -0.671 55.496 56.100 0.110 0.000 0.909 285 R CB 1.203 31.559 30.300 0.093 0.000 1.243 285 R HN 0.338 nan 8.270 nan 0.000 0.455 286 D N 2.776 123.262 120.400 0.143 0.000 2.443 286 D HA 0.140 4.780 4.640 -0.000 0.000 0.239 286 D C -0.628 175.822 176.300 0.251 0.000 1.136 286 D CA 1.133 55.216 54.000 0.139 0.000 0.879 286 D CB 0.391 41.227 40.800 0.059 0.000 1.195 286 D HN 0.331 nan 8.370 nan 0.000 0.443 287 Y N -1.585 118.720 120.300 0.007 0.000 2.624 287 Y HA 0.518 5.068 4.550 -0.000 0.000 0.334 287 Y C -0.961 174.942 175.900 0.004 0.000 1.155 287 Y CA -1.428 56.680 58.100 0.014 0.000 1.046 287 Y CB 1.150 39.625 38.460 0.024 0.000 1.316 287 Y HN 0.203 nan 8.280 nan 0.000 0.457 288 R N 1.595 122.125 120.500 0.051 0.000 2.460 288 R HA 0.553 4.892 4.340 -0.000 0.000 0.303 288 R C -0.218 176.127 176.300 0.075 0.000 0.968 288 R CA -0.369 55.711 56.100 -0.034 0.000 0.889 288 R CB 1.453 31.755 30.300 0.004 0.000 1.123 288 R HN 1.049 nan 8.270 nan 0.000 0.455 289 T N 0.668 115.229 114.554 0.011 0.000 2.766 289 T HA 0.171 4.521 4.350 -0.000 0.000 0.295 289 T C 1.489 176.229 174.700 0.067 0.000 1.024 289 T CA -0.073 62.078 62.100 0.086 0.000 1.018 289 T CB 1.330 70.225 68.868 0.045 0.000 1.002 289 T HN 0.658 nan 8.240 nan 0.000 0.532 290 A N 1.597 124.464 122.820 0.078 0.000 1.892 290 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 290 A C 2.745 180.348 177.584 0.032 0.000 1.188 290 A CA 2.815 54.885 52.037 0.054 0.000 0.631 290 A CB -1.744 17.289 19.000 0.055 0.000 0.822 290 A HN 1.358 nan 8.150 nan 0.000 0.447 291 S N -1.408 114.308 115.700 0.027 0.000 2.372 291 S HA 0.120 4.590 4.470 -0.000 0.000 0.227 291 S C 1.666 176.265 174.600 -0.001 0.000 1.044 291 S CA 2.160 60.365 58.200 0.008 0.000 1.050 291 S CB -0.806 62.396 63.200 0.002 0.000 0.901 291 S HN 2.106 nan 8.310 nan 0.000 0.447 292 G N 0.441 109.238 108.800 -0.005 0.000 2.234 292 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.153 292 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.153 292 G C -0.161 174.717 174.900 -0.037 0.000 1.013 292 G CA 0.027 45.118 45.100 -0.014 0.000 0.712 292 G HN 0.789 nan 8.290 nan 0.000 0.491 293 K N 0.771 121.138 120.400 -0.055 0.000 2.205 293 K HA 0.661 4.980 4.320 -0.000 0.000 0.279 293 K C -0.131 176.383 176.600 -0.145 0.000 1.027 293 K CA -0.823 55.411 56.287 -0.088 0.000 0.932 293 K CB 1.006 33.453 32.500 -0.088 0.000 1.032 293 K HN 0.278 nan 8.250 nan 0.000 0.466 294 L N 4.789 125.923 121.223 -0.148 0.000 2.289 294 L HA 0.347 4.687 4.340 -0.000 0.000 0.285 294 L C -1.370 175.340 176.870 -0.266 0.000 1.049 294 L CA -0.262 54.462 54.840 -0.194 0.000 0.804 294 L CB 1.621 43.610 42.059 -0.117 0.000 1.195 294 L HN 0.368 nan 8.230 nan 0.000 0.428 295 V N 5.642 125.290 119.914 -0.445 0.000 2.370 295 V HA 0.729 4.849 4.120 -0.000 0.000 0.283 295 V C 0.545 176.502 176.094 -0.229 0.000 1.023 295 V CA -0.373 61.682 62.300 -0.408 0.000 0.857 295 V CB 0.923 32.323 31.823 -0.705 0.000 0.985 295 V HN 1.040 nan 8.190 nan 0.000 0.443 296 A N 3.834 126.586 122.820 -0.113 0.000 2.340 296 A HA 0.718 5.038 4.320 -0.000 0.000 0.268 296 A C 1.467 179.052 177.584 0.002 0.000 1.100 296 A CA 0.253 52.265 52.037 -0.042 0.000 0.803 296 A CB 0.924 19.903 19.000 -0.036 0.000 1.043 296 A HN 1.259 nan 8.150 nan 0.000 0.488 297 A N 2.269 125.109 122.820 0.033 0.000 1.948 297 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 297 A C 2.135 179.738 177.584 0.032 0.000 1.177 297 A CA 2.306 54.374 52.037 0.052 0.000 0.636 297 A CB -1.150 17.880 19.000 0.050 0.000 0.815 297 A HN 1.475 nan 8.150 nan 0.000 0.449 298 G N -0.865 107.944 108.800 0.016 0.000 2.498 298 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 298 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 298 G C 0.890 175.792 174.900 0.003 0.000 1.119 298 G CA 1.095 46.200 45.100 0.009 0.000 0.766 298 G HN 0.483 nan 8.290 nan 0.000 0.552 299 D N 0.016 120.414 120.400 -0.003 0.000 2.348 299 D HA 0.122 4.762 4.640 -0.000 0.000 0.211 299 D C 1.241 177.538 176.300 -0.006 0.000 0.998 299 D CA 0.194 54.186 54.000 -0.014 0.000 0.873 299 D CB 0.421 41.199 40.800 -0.036 0.000 0.925 299 D HN 0.562 nan 8.370 nan 0.000 0.524 300 I N -3.164 117.415 120.570 0.015 0.000 3.002 300 I HA 0.397 4.567 4.170 -0.000 0.000 0.310 300 I C 0.126 176.267 176.117 0.041 0.000 1.087 300 I CA -0.842 60.476 61.300 0.030 0.000 1.017 300 I CB 2.349 40.385 38.000 0.060 0.000 1.226 300 I HN -0.434 nan 8.210 nan 0.000 0.443 301 D N 2.049 122.480 120.400 0.052 0.000 2.338 301 D HA 0.246 4.886 4.640 -0.000 0.000 0.208 301 D C 0.278 176.607 176.300 0.049 0.000 0.997 301 D CA 1.062 55.090 54.000 0.046 0.000 0.880 301 D CB 1.000 41.827 40.800 0.045 0.000 0.980 301 D HN 0.576 nan 8.370 nan 0.000 0.509 302 L N -2.972 118.296 121.223 0.076 0.000 2.892 302 L HA 0.474 4.814 4.340 -0.000 0.000 0.269 302 L C -1.853 175.069 176.870 0.086 0.000 1.058 302 L CA -1.078 53.797 54.840 0.058 0.000 0.923 302 L CB 1.636 43.707 42.059 0.020 0.000 1.518 302 L HN -0.342 nan 8.230 nan 0.000 0.402 303 L N 1.464 122.706 121.223 0.032 0.000 2.325 303 L HA 0.867 5.206 4.340 -0.000 0.000 0.278 303 L C -0.822 176.018 176.870 -0.050 0.000 1.023 303 L CA -0.971 53.864 54.840 -0.008 0.000 0.811 303 L CB 1.998 44.004 42.059 -0.089 0.000 1.249 303 L HN 0.408 nan 8.230 nan 0.000 0.431 304 V N 2.534 122.413 119.914 -0.058 0.000 2.760 304 V HA 0.621 4.741 4.120 -0.000 0.000 0.309 304 V C -0.645 175.281 176.094 -0.281 0.000 1.077 304 V CA -0.834 61.350 62.300 -0.194 0.000 0.910 304 V CB 2.213 33.858 31.823 -0.296 0.000 1.008 304 V HN 0.624 nan 8.190 nan 0.000 0.424 305 R N 2.442 122.585 120.500 -0.596 0.000 2.532 305 R HA 0.875 5.214 4.340 -0.000 0.000 0.297 305 R C -0.688 175.212 176.300 -0.667 0.000 0.984 305 R CA -0.448 55.209 56.100 -0.737 0.000 0.884 305 R CB 2.159 31.644 30.300 -1.358 0.000 1.182 305 R HN 0.901 nan 8.270 nan 0.000 0.442 306 A N 3.209 125.798 122.820 -0.385 0.000 2.401 306 A HA 0.755 5.074 4.320 -0.000 0.000 0.310 306 A C -1.076 176.369 177.584 -0.233 0.000 1.075 306 A CA -0.647 51.206 52.037 -0.306 0.000 0.746 306 A CB 1.246 20.081 19.000 -0.275 0.000 1.277 306 A HN 0.460 nan 8.150 nan 0.000 0.425 307 L N 1.026 122.105 121.223 -0.239 0.000 2.322 307 L HA 0.727 5.066 4.340 -0.000 0.000 0.279 307 L C 0.676 177.474 176.870 -0.120 0.000 1.036 307 L CA 0.210 54.937 54.840 -0.188 0.000 0.807 307 L CB 1.832 43.730 42.059 -0.267 0.000 1.226 307 L HN 0.736 nan 8.230 nan 0.000 0.433 311 K N 0.385 120.754 120.400 -0.052 0.000 2.469 311 K HA 0.484 4.804 4.320 -0.000 0.000 0.254 311 K C -1.138 175.422 176.600 -0.067 0.000 0.939 311 K CA -0.998 55.261 56.287 -0.046 0.000 0.812 311 K CB 2.825 35.307 32.500 -0.031 0.000 1.301 311 K HN 0.082 nan 8.250 nan 0.000 0.433 312 L N 3.386 124.566 121.223 -0.071 0.000 2.513 312 L HA 0.029 4.368 4.340 -0.000 0.000 0.272 312 L C 0.512 177.376 176.870 -0.009 0.000 1.187 312 L CA 0.533 55.331 54.840 -0.071 0.000 0.895 312 L CB -0.126 41.908 42.059 -0.041 0.000 1.147 312 L HN 0.444 nan 8.230 nan 0.000 0.483 313 H N 4.710 123.723 119.070 -0.095 0.000 2.707 313 H HA 0.041 4.597 4.556 -0.000 0.000 0.359 313 H C 0.906 176.204 175.328 -0.049 0.000 1.113 313 H CA 0.413 56.425 56.048 -0.060 0.000 1.422 313 H CB 0.831 30.522 29.762 -0.118 0.000 1.443 313 H HN 0.861 nan 8.280 nan 0.000 0.591 314 H N 2.478 121.396 119.070 -0.253 0.000 2.495 314 H HA 0.184 4.739 4.556 -0.000 0.000 0.287 314 H C -0.288 175.063 175.328 0.039 0.000 1.033 314 H CA 0.743 56.737 56.048 -0.090 0.000 1.307 314 H CB 0.260 29.925 29.762 -0.161 0.000 1.401 314 H HN 0.478 nan 8.280 nan 0.000 0.555 319 T N 0.333 114.833 114.554 -0.090 0.000 2.915 319 T HA 0.294 4.644 4.350 -0.000 0.000 0.269 319 T C 2.433 177.079 174.700 -0.091 0.000 1.071 319 T CA 2.051 64.097 62.100 -0.090 0.000 1.132 319 T CB -0.183 68.633 68.868 -0.086 0.000 0.878 319 T HN 0.835 nan 8.240 nan 0.000 0.479 320 A N 1.542 124.292 122.820 -0.116 0.000 2.014 320 A HA 0.487 4.806 4.320 -0.000 0.000 0.218 320 A C 2.757 180.285 177.584 -0.092 0.000 1.163 320 A CA 1.348 53.307 52.037 -0.129 0.000 0.652 320 A CB -1.183 17.698 19.000 -0.197 0.000 0.808 320 A HN 0.696 nan 8.150 nan 0.000 0.449 321 A N -0.422 122.362 122.820 -0.060 0.000 1.933 321 A HA -0.011 4.308 4.320 -0.000 0.000 0.218 321 A C 2.176 179.771 177.584 0.018 0.000 1.175 321 A CA 1.764 53.818 52.037 0.028 0.000 0.628 321 A CB -0.800 18.278 19.000 0.130 0.000 0.814 321 A HN 0.358 nan 8.150 nan 0.000 0.444 322 V N -0.258 119.649 119.914 -0.012 0.000 2.427 322 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 322 V C 3.029 179.112 176.094 -0.018 0.000 1.051 322 V CA 1.785 64.074 62.300 -0.018 0.000 1.048 322 V CB -1.108 30.682 31.823 -0.055 0.000 0.666 322 V HN 0.613 nan 8.190 nan 0.000 0.456 323 A N -0.079 122.736 122.820 -0.008 0.000 1.933 323 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 323 A C 2.174 179.805 177.584 0.078 0.000 1.175 323 A CA 1.839 53.908 52.037 0.054 0.000 0.628 323 A CB -0.490 18.558 19.000 0.080 0.000 0.814 323 A HN 0.507 nan 8.150 nan 0.000 0.444 324 I N -0.464 120.121 120.570 0.025 0.000 2.142 324 I HA -0.194 3.976 4.170 -0.000 0.000 0.240 324 I C 2.759 178.781 176.117 -0.159 0.000 1.078 324 I CA 1.225 62.422 61.300 -0.173 0.000 1.343 324 I CB -0.717 37.042 38.000 -0.402 0.000 1.046 324 I HN 0.391 nan 8.210 nan 0.000 0.405 325 G N 0.156 108.921 108.800 -0.059 0.000 2.418 325 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.217 325 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.217 325 G C 1.648 176.523 174.900 -0.043 0.000 1.158 325 G CA 1.480 46.572 45.100 -0.013 0.000 0.771 325 G HN 0.309 nan 8.290 nan 0.000 0.545 326 T N 1.717 116.240 114.554 -0.051 0.000 2.701 326 T HA 0.041 4.391 4.350 -0.000 0.000 0.263 326 T C 2.834 177.466 174.700 -0.114 0.000 1.040 326 T CA 1.529 63.588 62.100 -0.068 0.000 1.147 326 T CB -0.443 68.382 68.868 -0.072 0.000 0.865 326 T HN 0.361 nan 8.240 nan 0.000 0.426 327 A N 1.528 124.265 122.820 -0.139 0.000 1.933 327 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 327 A C 2.646 180.112 177.584 -0.197 0.000 1.175 327 A CA 1.811 53.743 52.037 -0.175 0.000 0.628 327 A CB -1.104 17.712 19.000 -0.306 0.000 0.814 327 A HN 0.510 nan 8.150 nan 0.000 0.444 328 A N -0.187 122.518 122.820 -0.193 0.000 1.933 328 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 328 A C 2.411 179.932 177.584 -0.105 0.000 1.175 328 A CA 1.966 53.915 52.037 -0.147 0.000 0.628 328 A CB -0.853 18.084 19.000 -0.105 0.000 0.814 328 A HN 1.084 nan 8.150 nan 0.000 0.444 329 A N -0.863 121.902 122.820 -0.092 0.000 2.119 329 A HA 0.253 4.572 4.320 -0.000 0.000 0.217 329 A C 0.934 178.448 177.584 -0.116 0.000 1.153 329 A CA 0.391 52.388 52.037 -0.067 0.000 0.692 329 A CB -0.329 18.652 19.000 -0.032 0.000 0.799 329 A HN 0.437 nan 8.150 nan 0.000 0.458 330 I N 2.311 122.751 120.570 -0.216 0.000 2.291 330 I HA 0.204 4.374 4.170 -0.000 0.000 0.290 330 I C -2.351 173.597 176.117 -0.281 0.000 1.050 330 I CA -2.400 58.641 61.300 -0.433 0.000 1.245 330 I CB 1.505 39.090 38.000 -0.692 0.000 1.405 330 I HN 0.043 nan 8.210 nan 0.000 0.478 331 P HA 0.108 nan 4.420 nan 0.000 0.267 331 P C 0.783 178.039 177.300 -0.073 0.000 1.205 331 P CA 0.549 63.611 63.100 -0.064 0.000 0.765 331 P CB 1.118 32.834 31.700 0.027 0.000 0.828 332 G N 1.865 110.620 108.800 -0.074 0.000 2.253 332 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.209 332 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.209 332 G C 0.352 175.190 174.900 -0.104 0.000 0.997 332 G CA 0.198 45.254 45.100 -0.073 0.000 0.640 332 G HN 0.841 nan 8.290 nan 0.000 0.496 333 T N -0.172 114.300 114.554 -0.137 0.000 2.813 333 T HA 0.582 4.932 4.350 -0.000 0.000 0.297 333 T C 1.828 176.468 174.700 -0.100 0.000 1.036 333 T CA 0.128 62.157 62.100 -0.118 0.000 1.044 333 T CB 1.114 69.918 68.868 -0.107 0.000 0.993 333 T HN 0.312 nan 8.240 nan 0.000 0.535 334 L N 1.451 122.627 121.223 -0.079 0.000 2.131 334 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 334 L C 2.783 179.569 176.870 -0.139 0.000 1.092 334 L CA 0.759 55.559 54.840 -0.068 0.000 0.759 334 L CB -0.684 41.373 42.059 -0.003 0.000 0.903 334 L HN 0.609 nan 8.230 nan 0.000 0.435 335 V N -0.149 119.603 119.914 -0.269 0.000 2.323 335 V HA -0.261 3.859 4.120 -0.000 0.000 0.244 335 V C 2.333 178.301 176.094 -0.209 0.000 1.041 335 V CA 1.958 64.046 62.300 -0.353 0.000 1.025 335 V CB -0.813 30.630 31.823 -0.634 0.000 0.656 335 V HN 0.575 nan 8.190 nan 0.000 0.451 336 N N 0.691 119.284 118.700 -0.177 0.000 2.061 336 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 336 N C 1.913 177.375 175.510 -0.079 0.000 1.030 336 N CA 1.871 54.851 53.050 -0.116 0.000 0.856 336 N CB -0.128 38.292 38.487 -0.110 0.000 1.023 336 N HN 0.452 nan 8.380 nan 0.000 0.424 337 L N 0.739 121.919 121.223 -0.073 0.000 2.083 337 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 337 L C 2.769 179.619 176.870 -0.034 0.000 1.083 337 L CA 1.140 55.955 54.840 -0.042 0.000 0.752 337 L CB -0.526 41.513 42.059 -0.032 0.000 0.899 337 L HN 0.206 nan 8.230 nan 0.000 0.433 338 A N 0.139 122.931 122.820 -0.047 0.000 1.933 338 A HA -0.126 4.193 4.320 -0.000 0.000 0.218 338 A C 2.364 179.935 177.584 -0.023 0.000 1.175 338 A CA 1.636 53.654 52.037 -0.032 0.000 0.628 338 A CB -0.563 18.407 19.000 -0.049 0.000 0.814 338 A HN 0.394 nan 8.150 nan 0.000 0.444 339 A N -2.184 120.615 122.820 -0.036 0.000 2.235 339 A HA 0.413 4.732 4.320 -0.000 0.000 0.208 339 A C 1.698 179.277 177.584 -0.008 0.000 1.172 339 A CA 1.318 53.345 52.037 -0.017 0.000 0.786 339 A CB -0.693 18.290 19.000 -0.028 0.000 0.804 339 A HN 1.794 nan 8.150 nan 0.000 0.479 340 G N -3.029 105.765 108.800 -0.010 0.000 2.229 340 G HA2 0.320 4.279 3.960 -0.000 0.000 0.189 340 G HA3 0.320 4.279 3.960 -0.000 0.000 0.189 340 G C 1.314 176.211 174.900 -0.005 0.000 1.000 340 G CA 0.377 45.475 45.100 -0.003 0.000 0.663 340 G HN 2.294 nan 8.290 nan 0.000 0.493 341 G N -0.767 108.025 108.800 -0.014 0.000 2.782 341 G HA2 0.445 4.404 3.960 -0.000 0.000 0.228 341 G HA3 0.445 4.404 3.960 -0.000 0.000 0.228 341 G C 1.449 176.345 174.900 -0.006 0.000 1.372 341 G CA 1.117 46.209 45.100 -0.013 0.000 0.862 341 G HN 2.599 nan 8.290 nan 0.000 0.547 342 G N -0.676 108.124 108.800 0.000 0.000 2.564 342 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.273 342 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.273 342 G C 0.324 175.229 174.900 0.010 0.000 1.242 342 G CA 1.332 46.437 45.100 0.010 0.000 0.951 342 G HN 1.816 nan 8.290 nan 0.000 0.564 343 E N 0.974 121.183 120.200 0.016 0.000 2.290 343 E HA 0.422 4.772 4.350 -0.000 0.000 0.277 343 E C 0.106 176.712 176.600 0.010 0.000 1.035 343 E CA -0.325 56.086 56.400 0.019 0.000 0.873 343 E CB 0.192 29.907 29.700 0.025 0.000 1.029 343 E HN 0.354 nan 8.360 nan 0.000 0.419 344 R N 2.888 123.391 120.500 0.004 0.000 2.638 344 R HA 0.069 4.409 4.340 -0.000 0.000 0.261 344 R C 0.430 176.733 176.300 0.004 0.000 1.515 344 R CA -0.042 56.058 56.100 -0.000 0.000 1.623 344 R CB 0.409 30.701 30.300 -0.015 0.000 1.347 344 R HN 0.549 nan 8.270 nan 0.000 0.705 345 S N -1.019 114.690 115.700 0.014 0.000 2.561 345 S HA 0.227 4.697 4.470 -0.000 0.000 0.225 345 S C 0.827 175.442 174.600 0.024 0.000 0.977 345 S CA 0.304 58.517 58.200 0.021 0.000 0.926 345 S CB 0.341 63.558 63.200 0.029 0.000 0.769 345 S HN 0.354 nan 8.310 nan 0.000 0.533 346 A N 0.881 123.714 122.820 0.022 0.000 2.488 346 A HA 0.704 5.024 4.320 -0.000 0.000 0.298 346 A C -0.684 176.922 177.584 0.036 0.000 1.044 346 A CA -0.585 51.471 52.037 0.031 0.000 0.693 346 A CB 1.759 20.771 19.000 0.021 0.000 1.272 346 A HN 1.046 nan 8.150 nan 0.000 0.402 347 V N -0.532 119.419 119.914 0.062 0.000 2.925 347 V HA 0.811 4.931 4.120 -0.000 0.000 0.311 347 V C -0.426 175.733 176.094 0.108 0.000 1.104 347 V CA -0.976 61.371 62.300 0.078 0.000 0.954 347 V CB 1.775 33.650 31.823 0.086 0.000 1.022 347 V HN 1.033 nan 8.190 nan 0.000 0.427 348 R N 3.344 123.888 120.500 0.073 0.000 2.229 348 R HA 0.637 4.977 4.340 -0.000 0.000 0.332 348 R C -1.055 175.288 176.300 0.070 0.000 0.989 348 R CA -0.534 55.578 56.100 0.019 0.000 0.842 348 R CB 0.998 31.285 30.300 -0.022 0.000 1.119 348 R HN 0.864 nan 8.270 nan 0.000 0.456 349 F N 1.218 121.172 119.950 0.007 0.000 2.470 349 F HA 0.723 5.250 4.527 -0.000 0.000 0.329 349 F C 0.189 175.983 175.800 -0.009 0.000 1.072 349 F CA -1.284 56.716 58.000 -0.000 0.000 0.989 349 F CB 1.220 40.218 39.000 -0.005 0.000 1.193 349 F HN 0.439 nan 8.300 nan 0.000 0.481 350 G N 1.375 110.272 108.800 0.163 0.000 2.319 350 G HA2 0.502 4.461 3.960 -0.000 0.000 0.308 350 G HA3 0.502 4.461 3.960 -0.000 0.000 0.308 350 G C -1.252 173.728 174.900 0.134 0.000 1.117 350 G CA -0.452 44.710 45.100 0.103 0.000 0.903 350 G HN 1.048 nan 8.290 nan 0.000 0.436 351 H N 0.916 120.086 119.070 0.167 0.000 2.771 351 H HA 0.614 5.170 4.556 -0.000 0.000 0.344 351 H C -2.184 173.215 175.328 0.118 0.000 1.260 351 H CA -2.545 53.569 56.048 0.111 0.000 1.276 351 H CB 0.568 30.417 29.762 0.146 0.000 1.881 351 H HN 0.142 nan 8.280 nan 0.000 0.615 352 P HA -0.147 nan 4.420 nan 0.000 0.217 352 P C 0.672 178.164 177.300 0.320 0.000 1.148 352 P CA 2.464 65.722 63.100 0.265 0.000 0.828 352 P CB 0.143 31.945 31.700 0.169 0.000 0.783 353 S N -3.211 112.741 115.700 0.420 0.000 2.578 353 S HA 0.577 5.046 4.470 -0.000 0.000 0.231 353 S C 0.771 175.437 174.600 0.111 0.000 0.994 353 S CA 0.144 58.501 58.200 0.263 0.000 0.956 353 S CB 0.133 63.500 63.200 0.278 0.000 0.870 353 S HN 0.299 nan 8.310 nan 0.000 0.494 354 G N 0.795 109.483 108.800 -0.185 0.000 2.356 354 G HA2 0.375 4.335 3.960 -0.000 0.000 0.266 354 G HA3 0.375 4.335 3.960 -0.000 0.000 0.266 354 G C -0.952 173.449 174.900 -0.832 0.000 1.312 354 G CA -0.081 44.788 45.100 -0.385 0.000 0.922 354 G HN 0.973 nan 8.290 nan 0.000 0.480 355 T N -2.337 111.863 114.554 -0.590 0.000 2.896 355 T HA 0.771 5.121 4.350 -0.000 0.000 0.297 355 T C -1.606 172.842 174.700 -0.420 0.000 1.108 355 T CA -0.717 61.072 62.100 -0.519 0.000 1.004 355 T CB 2.199 70.899 68.868 -0.280 0.000 1.159 355 T HN 1.528 nan 8.240 nan 0.000 0.499 356 L N 1.032 121.895 121.223 -0.600 0.000 2.464 356 L HA 0.606 4.946 4.340 -0.000 0.000 0.266 356 L C -0.505 176.130 176.870 -0.391 0.000 0.965 356 L CA -0.697 53.854 54.840 -0.481 0.000 0.833 356 L CB 2.183 43.865 42.059 -0.628 0.000 1.296 356 L HN 0.899 nan 8.230 nan 0.000 0.405 357 R N 4.051 124.492 120.500 -0.099 0.000 2.207 357 R HA 0.757 5.097 4.340 -0.000 0.000 0.334 357 R C -1.109 175.237 176.300 0.077 0.000 1.013 357 R CA -0.379 55.723 56.100 0.005 0.000 0.858 357 R CB 0.921 31.239 30.300 0.031 0.000 1.094 357 R HN 0.578 nan 8.270 nan 0.000 0.457 358 V N 0.542 120.536 119.914 0.134 0.000 3.126 358 V HA 0.998 5.117 4.120 -0.000 0.000 0.314 358 V C -0.261 175.896 176.094 0.106 0.000 1.138 358 V CA -0.638 61.750 62.300 0.147 0.000 1.034 358 V CB 1.971 33.927 31.823 0.222 0.000 1.075 358 V HN 0.817 nan 8.190 nan 0.000 0.442 359 G N -0.493 108.359 108.800 0.088 0.000 2.692 359 G HA2 0.996 4.956 3.960 -0.000 0.000 0.291 359 G HA3 0.996 4.956 3.960 -0.000 0.000 0.291 359 G C -1.093 173.844 174.900 0.062 0.000 1.423 359 G CA -0.283 44.855 45.100 0.063 0.000 0.843 359 G HN 1.906 nan 8.290 nan 0.000 0.486 360 A N -0.007 122.841 122.820 0.048 0.000 2.612 360 A HA 0.859 5.179 4.320 -0.000 0.000 0.293 360 A C -1.188 176.429 177.584 0.054 0.000 1.075 360 A CA -0.648 51.419 52.037 0.051 0.000 0.680 360 A CB 1.730 20.746 19.000 0.027 0.000 1.279 360 A HN 0.606 nan 8.150 nan 0.000 0.411 361 E N -0.436 119.807 120.200 0.071 0.000 2.293 361 E HA 0.700 5.050 4.350 -0.000 0.000 0.270 361 E C -0.700 175.969 176.600 0.115 0.000 0.879 361 E CA -0.775 55.678 56.400 0.088 0.000 0.756 361 E CB 2.472 32.225 29.700 0.089 0.000 1.208 361 E HN 1.146 nan 8.360 nan 0.000 0.428 362 A N 1.350 124.269 122.820 0.164 0.000 2.572 362 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 362 A C -1.048 176.759 177.584 0.372 0.000 1.072 362 A CA -0.645 51.549 52.037 0.262 0.000 0.691 362 A CB 1.823 20.972 19.000 0.248 0.000 1.291 362 A HN 0.540 nan 8.150 nan 0.000 0.404 363 S N 0.601 116.516 115.700 0.358 0.000 2.595 363 S HA 0.784 5.253 4.470 -0.000 0.000 0.281 363 S C -0.900 173.677 174.600 -0.038 0.000 1.117 363 S CA -0.586 57.728 58.200 0.189 0.000 0.873 363 S CB 1.885 65.138 63.200 0.087 0.000 1.108 363 S HN 0.952 nan 8.310 nan 0.000 0.477 364 Q N 0.213 119.784 119.800 -0.382 0.000 2.365 364 Q HA 0.715 5.055 4.340 -0.000 0.000 0.269 364 Q C -1.644 174.133 176.000 -0.372 0.000 1.061 364 Q CA -0.981 54.375 55.803 -0.745 0.000 0.816 364 Q CB 2.020 29.982 28.738 -1.293 0.000 1.325 364 Q HN 1.189 nan 8.270 nan 0.000 0.446 365 A N 3.594 126.229 122.820 -0.308 0.000 2.512 365 A HA 0.334 4.654 4.320 -0.000 0.000 0.290 365 A C -0.832 176.670 177.584 -0.136 0.000 1.041 365 A CA -0.604 51.332 52.037 -0.167 0.000 0.911 365 A CB 0.549 19.491 19.000 -0.096 0.000 1.407 365 A HN 0.936 nan 8.150 nan 0.000 0.398 366 N N 1.435 120.065 118.700 -0.117 0.000 2.738 366 N HA -0.235 4.504 4.740 -0.000 0.000 0.249 366 N C 1.128 176.588 175.510 -0.083 0.000 1.047 366 N CA 2.252 55.254 53.050 -0.080 0.000 0.707 366 N CB -1.046 37.414 38.487 -0.046 0.000 0.937 366 N HN 2.388 nan 8.380 nan 0.000 0.545 367 G N -0.414 108.304 108.800 -0.137 0.000 2.267 367 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.257 367 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.257 367 G C -0.121 174.687 174.900 -0.153 0.000 0.998 367 G CA 0.754 45.780 45.100 -0.123 0.000 0.620 367 G HN 0.574 nan 8.290 nan 0.000 0.529 368 E N 0.019 120.127 120.200 -0.153 0.000 2.115 368 E HA 0.437 4.787 4.350 -0.000 0.000 0.282 368 E C -0.487 176.065 176.600 -0.080 0.000 0.987 368 E CA -1.008 55.375 56.400 -0.030 0.000 0.797 368 E CB 0.437 30.142 29.700 0.009 0.000 1.086 368 E HN 0.340 nan 8.360 nan 0.000 0.397 369 W N 2.304 123.686 121.300 0.137 0.000 2.315 369 W HA 0.236 4.896 4.660 -0.000 0.000 0.316 369 W C 0.027 176.594 176.519 0.080 0.000 1.211 369 W CA -0.287 57.138 57.345 0.133 0.000 1.201 369 W CB 1.592 31.195 29.460 0.238 0.000 1.184 369 W HN 0.253 nan 8.180 nan 0.000 0.544 370 T N 2.564 117.304 114.554 0.310 0.000 2.824 370 T HA 0.374 4.724 4.350 -0.000 0.000 0.282 370 T C -0.674 174.148 174.700 0.202 0.000 0.993 370 T CA -0.718 61.499 62.100 0.195 0.000 0.967 370 T CB 1.197 70.140 68.868 0.125 0.000 0.960 370 T HN 0.039 nan 8.240 nan 0.000 0.441 371 V N 3.986 123.983 119.914 0.138 0.000 2.432 371 V HA 0.252 4.371 4.120 -0.000 0.000 0.271 371 V C 1.621 177.780 176.094 0.107 0.000 1.046 371 V CA -0.109 62.258 62.300 0.112 0.000 0.945 371 V CB 0.889 32.748 31.823 0.061 0.000 0.992 371 V HN 1.173 nan 8.190 nan 0.000 0.471 372 T N 1.311 115.933 114.554 0.114 0.000 3.015 372 T HA 0.295 4.644 4.350 -0.000 0.000 0.250 372 T C 0.460 175.226 174.700 0.110 0.000 1.057 372 T CA 0.068 62.233 62.100 0.108 0.000 1.066 372 T CB 0.262 69.192 68.868 0.104 0.000 0.959 372 T HN 0.534 nan 8.240 nan 0.000 0.488 373 K N 0.476 120.942 120.400 0.110 0.000 2.523 373 K HA 0.730 5.049 4.320 -0.000 0.000 0.257 373 K C -1.709 174.965 176.600 0.123 0.000 0.932 373 K CA -0.871 55.492 56.287 0.125 0.000 0.812 373 K CB 2.613 35.181 32.500 0.114 0.000 1.326 373 K HN 0.169 nan 8.250 nan 0.000 0.433 374 A N 3.461 126.383 122.820 0.170 0.000 2.318 374 A HA 0.772 5.092 4.320 -0.000 0.000 0.324 374 A C -0.607 177.120 177.584 0.239 0.000 1.170 374 A CA -0.606 51.528 52.037 0.161 0.000 0.810 374 A CB 0.314 19.378 19.000 0.107 0.000 1.198 374 A HN 0.684 nan 8.150 nan 0.000 0.484 378 R N 0.635 121.159 120.500 0.041 0.000 2.962 378 R HA 0.860 5.200 4.340 -0.000 0.000 0.256 378 R C -1.005 175.367 176.300 0.121 0.000 1.199 378 R CA -0.964 55.247 56.100 0.184 0.000 1.012 378 R CB 1.605 31.982 30.300 0.128 0.000 1.289 378 R HN 0.755 nan 8.270 nan 0.000 0.462 379 S N -0.691 115.104 115.700 0.159 0.000 2.607 379 S HA 0.881 5.351 4.470 -0.000 0.000 0.273 379 S C -1.483 173.141 174.600 0.041 0.000 1.148 379 S CA -0.769 57.494 58.200 0.106 0.000 0.833 379 S CB 2.366 65.703 63.200 0.227 0.000 1.130 379 S HN 0.761 nan 8.310 nan 0.000 0.470 380 A N 1.115 123.931 122.820 -0.006 0.000 2.539 380 A HA 0.979 5.299 4.320 -0.000 0.000 0.296 380 A C -0.768 176.770 177.584 -0.077 0.000 1.073 380 A CA -1.106 50.893 52.037 -0.062 0.000 0.700 380 A CB 1.530 20.467 19.000 -0.106 0.000 1.296 380 A HN 1.311 nan 8.150 nan 0.000 0.405 381 R N 1.010 121.440 120.500 -0.116 0.000 2.680 381 R HA 0.661 5.001 4.340 -0.000 0.000 0.269 381 R C -1.635 174.553 176.300 -0.187 0.000 1.026 381 R CA -0.810 55.214 56.100 -0.127 0.000 0.889 381 R CB 0.982 31.234 30.300 -0.080 0.000 1.241 381 R HN 0.494 nan 8.270 nan 0.000 0.463 382 I N 3.249 123.702 120.570 -0.195 0.000 2.533 382 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 382 I C 0.309 176.334 176.117 -0.153 0.000 1.109 382 I CA -0.184 60.983 61.300 -0.223 0.000 1.412 382 I CB 0.511 38.353 38.000 -0.263 0.000 1.396 382 I HN 0.350 nan 8.210 nan 0.000 0.543 386 G N 0.881 109.549 108.800 -0.219 0.000 2.011 386 G HA2 0.097 4.057 3.960 -0.000 0.000 0.054 386 G HA3 0.097 4.057 3.960 -0.000 0.000 0.054 386 G C -1.710 172.839 174.900 -0.586 0.000 0.853 386 G CA -0.306 44.532 45.100 -0.437 0.000 1.135 386 G HN 0.440 nan 8.290 nan 0.000 0.372 387 W N 1.048 122.379 121.300 0.052 0.000 3.129 387 W HA 0.567 5.227 4.660 -0.000 0.000 0.333 387 W C 0.192 176.738 176.519 0.046 0.000 1.141 387 W CA -0.414 56.969 57.345 0.064 0.000 1.224 387 W CB 1.739 31.243 29.460 0.072 0.000 1.393 387 W HN 0.637 nan 8.180 nan 0.000 0.499 388 V N 0.834 120.901 119.914 0.255 0.000 2.785 388 V HA 0.638 4.758 4.120 -0.000 0.000 0.300 388 V C -0.031 176.193 176.094 0.217 0.000 1.062 388 V CA -0.883 61.528 62.300 0.185 0.000 1.029 388 V CB 1.301 33.215 31.823 0.152 0.000 1.024 388 V HN 0.563 nan 8.190 nan 0.000 0.477 389 R N 2.183 122.775 120.500 0.153 0.000 2.562 389 R HA 0.837 5.177 4.340 -0.000 0.000 0.298 389 R C -0.980 175.397 176.300 0.129 0.000 0.961 389 R CA -0.621 55.563 56.100 0.139 0.000 0.881 389 R CB 2.129 32.490 30.300 0.102 0.000 1.159 389 R HN 0.946 nan 8.270 nan 0.000 0.450 390 V N -0.438 119.568 119.914 0.153 0.000 3.078 390 V HA 0.610 4.730 4.120 -0.000 0.000 0.311 390 V C -2.828 173.377 176.094 0.185 0.000 1.138 390 V CA -3.140 59.258 62.300 0.163 0.000 1.007 390 V CB 2.303 34.237 31.823 0.185 0.000 1.045 390 V HN 0.521 nan 8.190 nan 0.000 0.432 391 P HA 0.242 nan 4.420 nan 0.000 0.268 391 P C 0.971 178.370 177.300 0.165 0.000 1.204 391 P CA 0.617 63.804 63.100 0.146 0.000 0.768 391 P CB 0.935 32.709 31.700 0.124 0.000 0.842 392 G N 2.484 111.338 108.800 0.089 0.000 2.509 392 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.218 392 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.218 392 G C 0.815 175.562 174.900 -0.256 0.000 1.124 392 G CA 0.335 45.428 45.100 -0.012 0.000 0.776 392 G HN 0.603 nan 8.290 nan 0.000 0.547 393 D N 0.417 120.737 120.400 -0.134 0.000 2.339 393 D HA 0.229 4.869 4.640 -0.000 0.000 0.217 393 D C 2.079 178.310 176.300 -0.115 0.000 1.050 393 D CA 0.497 54.403 54.000 -0.157 0.000 0.856 393 D CB 0.024 40.782 40.800 -0.070 0.000 0.922 393 D HN 0.224 nan 8.370 nan 0.000 0.518 394 A N 0.106 122.916 122.820 -0.017 0.000 2.168 394 A HA 0.256 4.575 4.320 -0.000 0.000 0.215 394 A C 0.674 178.363 177.584 0.175 0.000 1.152 394 A CA 0.382 52.489 52.037 0.117 0.000 0.716 394 A CB -0.516 18.617 19.000 0.221 0.000 0.794 394 A HN 0.437 nan 8.150 nan 0.000 0.465 395 F N 0.000 119.952 119.950 0.004 0.000 2.286 395 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 395 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 395 F CB 0.000 38.979 39.000 -0.035 0.000 1.145 395 F HN 0.000 nan 8.300 nan 0.000 0.574