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 2e4v_1_A DATA FIRST_RESID 30 DATA SEQUENCE RREIKIEGDL VLGGLFPINE KGTGTEEcGR INEDRGIQRL EAMLFAIDEI DATA SEQUENCE NKDNYLLPGV KLGVHILDTc SRDTYALEQS LEFVRASLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXIP LLIAGVIGGS YSSVSIQVAN LLRLFQIPQI SYASTSAKLS DATA SEQUENCE DKSRYDYFAR TVPPDFYQAK AMAEILRFFN WTYVSTVASE GDYGETGIEA DATA SEQUENCE FEQEARLRNI cIATAEKVGR SNIRKSYDSV IRELLQKPNA RVVVLFMRSD DATA SEQUENCE DSRELIAAAN RVNASFTWVA SDGWGAQESI VKGSEHVAYG AITLELASHP DATA SEQUENCE VRQFDRYFQS LNPYNNHRNP WFRDFWEQKF QcSLQNKRNH RQVcDKHLAI DATA SEQUENCE DSSNYEQESK IMFVVNAVYA MAHALHKMQR TLcPQTTKLc DAMKILDGKK DATA SEQUENCE LYKEYLLKIQ FTAPFNPNKG ADSIVKFDTF GDGMGRYNVF NLQQTGGKYS DATA SEQUENCE YLKVGHWAET LSLDVDSIHW SRNSVPTSQc SDPcAPNEMK NMQPGDVccW DATA SEQUENCE IcIPcEPYEY LVDEFTcMDc GPGQWPTADL SGcYNLPE 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 30 R HA 0.000 nan 4.340 nan 0.000 0.208 30 R C 0.000 176.339 176.300 0.064 0.000 0.893 30 R CA 0.000 56.159 56.100 0.099 0.000 0.921 30 R CB 0.000 30.336 30.300 0.060 0.000 0.687 31 R N 1.040 121.586 120.500 0.077 0.000 2.500 31 R HA 0.594 4.934 4.340 -0.001 0.000 0.277 31 R C -0.344 175.962 176.300 0.009 0.000 1.026 31 R CA -0.360 55.660 56.100 -0.134 0.000 1.058 31 R CB 1.350 31.323 30.300 -0.546 0.000 1.078 31 R HN 0.617 nan 8.270 nan 0.000 0.509 32 E N 1.055 121.175 120.200 -0.134 0.000 2.422 32 E HA 0.306 4.655 4.350 -0.001 0.000 0.280 32 E C -1.302 175.369 176.600 0.119 0.000 1.091 32 E CA -0.810 55.707 56.400 0.195 0.000 0.849 32 E CB 0.995 30.883 29.700 0.313 0.000 1.353 32 E HN 0.334 nan 8.360 nan 0.000 0.449 33 I N 1.150 121.915 120.570 0.324 0.000 2.382 33 I HA 0.352 4.522 4.170 -0.001 0.000 0.285 33 I C -0.728 175.528 176.117 0.233 0.000 1.007 33 I CA -0.756 60.688 61.300 0.241 0.000 1.142 33 I CB 1.447 39.630 38.000 0.304 0.000 1.289 33 I HN 0.311 nan 8.210 nan 0.000 0.453 34 K N 7.206 127.665 120.400 0.097 0.000 2.425 34 K HA 0.584 4.903 4.320 -0.001 0.000 0.259 34 K C -1.122 175.485 176.600 0.011 0.000 0.978 34 K CA -0.657 55.630 56.287 -0.000 0.000 0.883 34 K CB 1.909 34.337 32.500 -0.119 0.000 1.110 34 K HN 0.393 nan 8.250 nan 0.000 0.436 35 I N 3.231 123.818 120.570 0.029 0.000 2.439 35 I HA 0.216 4.385 4.170 -0.001 0.000 0.285 35 I C 0.473 176.596 176.117 0.010 0.000 1.021 35 I CA -0.672 60.642 61.300 0.024 0.000 1.091 35 I CB 1.489 39.515 38.000 0.043 0.000 1.242 35 I HN 0.539 nan 8.210 nan 0.000 0.439 36 E N 3.655 123.853 120.200 -0.004 0.000 2.408 36 E HA 0.554 4.903 4.350 -0.001 0.000 0.259 36 E C 0.299 176.897 176.600 -0.003 0.000 1.110 36 E CA -0.099 56.297 56.400 -0.007 0.000 0.929 36 E CB 1.448 31.141 29.700 -0.012 0.000 0.971 36 E HN 0.848 nan 8.360 nan 0.000 0.438 37 G N 0.605 109.402 108.800 -0.004 0.000 2.506 37 G HA2 0.020 3.980 3.960 -0.001 0.000 0.292 37 G HA3 0.020 3.980 3.960 -0.001 0.000 0.292 37 G C -0.294 174.602 174.900 -0.007 0.000 1.425 37 G CA -0.589 44.507 45.100 -0.007 0.000 0.788 37 G HN 0.426 nan 8.290 nan 0.000 0.490 38 D N -1.139 119.256 120.400 -0.010 0.000 2.178 38 D HA -0.025 4.614 4.640 -0.001 0.000 0.201 38 D C 0.330 176.626 176.300 -0.007 0.000 0.980 38 D CA 1.223 55.218 54.000 -0.008 0.000 0.842 38 D CB 0.350 41.144 40.800 -0.010 0.000 0.948 38 D HN -0.019 nan 8.370 nan 0.000 0.472 39 L N 0.199 121.416 121.223 -0.010 0.000 2.422 39 L HA 0.323 4.663 4.340 -0.001 0.000 0.264 39 L C -0.806 176.057 176.870 -0.012 0.000 0.984 39 L CA -0.990 53.844 54.840 -0.011 0.000 0.819 39 L CB 2.562 44.612 42.059 -0.016 0.000 1.330 39 L HN -0.353 nan 8.230 nan 0.000 0.410 40 V N 4.088 123.996 119.914 -0.009 0.000 2.604 40 V HA 0.556 4.675 4.120 -0.001 0.000 0.305 40 V C -0.380 175.696 176.094 -0.029 0.000 1.043 40 V CA -0.707 61.591 62.300 -0.004 0.000 0.888 40 V CB 2.072 33.907 31.823 0.020 0.000 0.995 40 V HN 0.477 nan 8.190 nan 0.000 0.429 41 L N 3.762 124.968 121.223 -0.028 0.000 2.296 41 L HA 0.699 5.038 4.340 -0.001 0.000 0.286 41 L C 0.845 177.658 176.870 -0.096 0.000 1.023 41 L CA -0.376 54.421 54.840 -0.072 0.000 0.812 41 L CB 1.624 43.660 42.059 -0.038 0.000 1.223 41 L HN 0.793 nan 8.230 nan 0.000 0.421 42 G N 1.386 109.993 108.800 -0.322 0.000 2.476 42 G HA2 0.588 4.548 3.960 -0.001 0.000 0.269 42 G HA3 0.588 4.548 3.960 -0.001 0.000 0.269 42 G C -0.291 174.468 174.900 -0.235 0.000 1.195 42 G CA -0.226 44.525 45.100 -0.581 0.000 0.843 42 G HN 0.737 nan 8.290 nan 0.000 0.545 43 G N -0.602 108.247 108.800 0.081 0.000 2.620 43 G HA2 0.597 4.557 3.960 -0.001 0.000 0.301 43 G HA3 0.597 4.557 3.960 -0.001 0.000 0.301 43 G C -1.259 173.802 174.900 0.267 0.000 1.347 43 G CA -0.694 44.536 45.100 0.217 0.000 0.971 43 G HN 0.638 nan 8.290 nan 0.000 0.488 44 L N 0.734 121.907 121.223 -0.083 0.000 2.410 44 L HA 0.683 5.023 4.340 -0.001 0.000 0.270 44 L C -1.313 175.291 176.870 -0.444 0.000 0.983 44 L CA -0.626 54.187 54.840 -0.046 0.000 0.822 44 L CB 2.127 44.208 42.059 0.036 0.000 1.285 44 L HN 0.438 nan 8.230 nan 0.000 0.409 45 F N 2.440 122.476 119.950 0.144 0.000 2.601 45 F HA 0.421 4.947 4.527 -0.000 0.000 0.309 45 F C -2.206 173.616 175.800 0.036 0.000 1.089 45 F CA -1.708 56.361 58.000 0.115 0.000 0.940 45 F CB 2.203 41.216 39.000 0.022 0.000 1.273 45 F HN 0.241 nan 8.300 nan 0.000 0.450 46 P HA 0.116 nan 4.420 nan 0.000 0.225 46 P C 0.797 178.131 177.300 0.057 0.000 1.813 46 P CA 0.073 63.266 63.100 0.155 0.000 1.013 46 P CB -0.153 31.697 31.700 0.251 0.000 1.961 47 I N -0.476 120.055 120.570 -0.065 0.000 2.264 47 I HA -0.139 4.030 4.170 -0.001 0.000 0.248 47 I C 1.134 177.172 176.117 -0.133 0.000 1.111 47 I CA 1.224 62.389 61.300 -0.225 0.000 1.382 47 I CB -1.056 36.516 38.000 -0.713 0.000 1.060 47 I HN 0.260 nan 8.210 nan 0.000 0.418 48 N N 0.584 119.220 118.700 -0.105 0.000 2.362 48 N HA 0.213 4.952 4.740 -0.001 0.000 0.299 48 N C -0.135 175.352 175.510 -0.038 0.000 1.170 48 N CA -0.496 52.523 53.050 -0.052 0.000 0.825 48 N CB 2.167 40.624 38.487 -0.050 0.000 1.299 48 N HN -0.028 nan 8.380 nan 0.000 0.502 49 E N 0.679 120.861 120.200 -0.030 0.000 2.369 49 E HA 0.125 4.475 4.350 -0.001 0.000 0.255 49 E C -0.400 176.151 176.600 -0.082 0.000 1.172 49 E CA -0.110 56.267 56.400 -0.038 0.000 0.932 49 E CB 0.636 30.315 29.700 -0.035 0.000 1.040 49 E HN 0.202 nan 8.360 nan 0.000 0.454 50 K N 0.216 120.556 120.400 -0.101 0.000 2.448 50 K HA 0.186 4.505 4.320 -0.001 0.000 0.278 50 K C -0.036 176.506 176.600 -0.097 0.000 1.009 50 K CA 0.283 56.497 56.287 -0.121 0.000 0.995 50 K CB 0.421 32.847 32.500 -0.123 0.000 0.917 50 K HN 0.609 nan 8.250 nan 0.000 0.481 51 G N 1.769 110.506 108.800 -0.105 0.000 2.442 51 G HA2 0.085 4.044 3.960 -0.001 0.000 0.249 51 G HA3 0.085 4.044 3.960 -0.001 0.000 0.249 51 G C -0.202 174.667 174.900 -0.052 0.000 1.263 51 G CA -0.504 44.552 45.100 -0.074 0.000 0.846 51 G HN 0.622 nan 8.290 nan 0.000 0.555 52 T N 0.087 114.618 114.554 -0.037 0.000 2.806 52 T HA 0.604 4.953 4.350 -0.001 0.000 0.290 52 T C 1.233 175.923 174.700 -0.017 0.000 0.966 52 T CA 0.528 62.611 62.100 -0.028 0.000 1.060 52 T CB 1.235 70.087 68.868 -0.028 0.000 0.927 52 T HN 2.176 nan 8.240 nan 0.000 0.485 53 G N 3.536 112.329 108.800 -0.011 0.000 2.543 53 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.286 53 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.286 53 G C 1.113 176.012 174.900 -0.001 0.000 1.153 53 G CA 1.158 46.256 45.100 -0.004 0.000 0.968 53 G HN 1.789 nan 8.290 nan 0.000 0.544 54 T N 0.401 114.956 114.554 0.003 0.000 3.055 54 T HA 0.266 4.616 4.350 -0.001 0.000 0.265 54 T C 1.021 175.726 174.700 0.009 0.000 1.111 54 T CA 1.549 63.654 62.100 0.008 0.000 1.118 54 T CB -0.335 68.540 68.868 0.011 0.000 0.909 54 T HN 1.098 nan 8.240 nan 0.000 0.501 55 E N 1.112 121.313 120.200 0.002 0.000 2.343 55 E HA 0.250 4.599 4.350 -0.001 0.000 0.269 55 E C 0.250 176.838 176.600 -0.020 0.000 1.047 55 E CA -0.607 55.793 56.400 -0.001 0.000 0.874 55 E CB 1.109 30.808 29.700 -0.003 0.000 1.033 55 E HN 0.335 nan 8.360 nan 0.000 0.409 56 E N 1.212 121.395 120.200 -0.028 0.000 2.122 56 E HA 0.025 4.374 4.350 -0.001 0.000 0.190 56 E C -0.077 176.395 176.600 -0.214 0.000 0.977 56 E CA 0.478 56.824 56.400 -0.091 0.000 0.820 56 E CB 0.308 29.986 29.700 -0.037 0.000 0.770 56 E HN 0.484 nan 8.360 nan 0.000 0.462 57 c N -0.197 118.300 118.600 -0.170 0.000 2.614 57 c HA 0.712 5.282 4.570 -0.001 0.000 0.320 57 c C 0.899 174.946 174.090 -0.071 0.000 1.200 57 c CA -0.898 55.329 56.329 -0.170 0.000 1.700 57 c CB 1.265 43.674 42.510 -0.168 0.000 2.275 57 c HN 0.431 nan 8.230 nan 0.000 0.492 58 G N 0.975 109.740 108.800 -0.058 0.000 3.407 58 G HA2 0.488 4.448 3.960 -0.001 0.000 0.187 58 G HA3 0.488 4.448 3.960 -0.001 0.000 0.187 58 G C -0.381 174.519 174.900 -0.001 0.000 1.262 58 G CA -0.552 44.532 45.100 -0.026 0.000 0.808 58 G HN 0.725 nan 8.290 nan 0.000 0.687 59 R N -0.467 120.030 120.500 -0.006 0.000 2.726 59 R HA 0.294 4.633 4.340 -0.001 0.000 0.272 59 R C -0.054 176.260 176.300 0.023 0.000 1.097 59 R CA -0.458 55.647 56.100 0.008 0.000 1.198 59 R CB 0.524 30.816 30.300 -0.014 0.000 1.114 59 R HN 0.177 nan 8.270 nan 0.000 0.550 60 I N 2.064 122.664 120.570 0.050 0.000 2.529 60 I HA -0.044 4.125 4.170 -0.001 0.000 0.284 60 I C 0.350 176.510 176.117 0.072 0.000 1.082 60 I CA -0.089 61.262 61.300 0.085 0.000 1.406 60 I CB 0.590 38.690 38.000 0.167 0.000 1.405 60 I HN 0.512 nan 8.210 nan 0.000 0.548 61 N N 6.286 125.022 118.700 0.061 0.000 2.558 61 N HA 0.093 4.833 4.740 -0.001 0.000 0.233 61 N C 0.866 176.431 175.510 0.091 0.000 1.038 61 N CA -0.106 52.977 53.050 0.056 0.000 0.934 61 N CB 0.636 39.151 38.487 0.046 0.000 1.175 61 N HN 0.464 nan 8.380 nan 0.000 0.512 62 E N 1.876 122.168 120.200 0.152 0.000 2.031 62 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 62 E C 0.227 176.914 176.600 0.144 0.000 0.994 62 E CA 1.451 58.019 56.400 0.280 0.000 0.800 62 E CB 0.196 30.124 29.700 0.380 0.000 0.752 62 E HN 0.558 nan 8.360 nan 0.000 0.447 63 D N 0.023 120.478 120.400 0.092 0.000 2.110 63 D HA -0.019 4.621 4.640 -0.001 0.000 0.202 63 D C 1.874 178.161 176.300 -0.022 0.000 0.975 63 D CA 0.886 54.904 54.000 0.029 0.000 0.839 63 D CB -0.024 40.788 40.800 0.019 0.000 0.996 63 D HN -0.014 nan 8.370 nan 0.000 0.464 64 R N -0.078 120.419 120.500 -0.006 0.000 2.275 64 R HA 0.195 4.534 4.340 -0.001 0.000 0.199 64 R C 1.720 178.040 176.300 0.034 0.000 0.989 64 R CA 0.658 56.758 56.100 -0.001 0.000 1.016 64 R CB 0.331 30.624 30.300 -0.011 0.000 0.918 64 R HN 0.139 nan 8.270 nan 0.000 0.473 65 G N 0.867 109.676 108.800 0.015 0.000 2.765 65 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.218 65 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.218 65 G C 1.251 176.094 174.900 -0.095 0.000 1.271 65 G CA -0.270 44.833 45.100 0.005 0.000 0.865 65 G HN -0.074 nan 8.290 nan 0.000 0.604 66 I N 1.176 121.687 120.570 -0.099 0.000 2.127 66 I HA -0.176 3.994 4.170 -0.001 0.000 0.241 66 I C 2.849 178.886 176.117 -0.133 0.000 1.075 66 I CA 1.355 62.563 61.300 -0.152 0.000 1.334 66 I CB -1.158 36.613 38.000 -0.383 0.000 1.040 66 I HN 0.306 nan 8.210 nan 0.000 0.405 67 Q N 0.236 119.930 119.800 -0.177 0.000 2.030 67 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 67 Q C 2.426 178.292 176.000 -0.223 0.000 0.986 67 Q CA 1.733 57.359 55.803 -0.295 0.000 0.843 67 Q CB -0.116 28.418 28.738 -0.340 0.000 0.904 67 Q HN 0.457 nan 8.270 nan 0.000 0.420 68 R N 0.347 120.689 120.500 -0.263 0.000 2.091 68 R HA -0.141 4.199 4.340 -0.001 0.000 0.238 68 R C 2.446 178.351 176.300 -0.659 0.000 1.136 68 R CA 1.082 56.972 56.100 -0.351 0.000 0.959 68 R CB -0.524 29.677 30.300 -0.166 0.000 0.856 68 R HN 0.333 nan 8.270 nan 0.000 0.437 69 L N 1.227 121.938 121.223 -0.852 0.000 2.012 69 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 69 L C 1.988 178.617 176.870 -0.402 0.000 1.073 69 L CA 1.661 55.832 54.840 -1.115 0.000 0.748 69 L CB -0.199 41.494 42.059 -0.610 0.000 0.891 69 L HN 0.163 nan 8.230 nan 0.000 0.431 70 E N 0.347 120.511 120.200 -0.059 0.000 2.153 70 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 70 E C 2.150 178.974 176.600 0.372 0.000 0.988 70 E CA 1.217 57.792 56.400 0.292 0.000 0.811 70 E CB -0.249 29.795 29.700 0.574 0.000 0.746 70 E HN 0.668 nan 8.360 nan 0.000 0.466 71 A N 1.001 123.901 122.820 0.135 0.000 1.972 71 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 71 A C 2.168 179.806 177.584 0.089 0.000 1.169 71 A CA 1.524 53.535 52.037 -0.043 0.000 0.635 71 A CB -0.440 18.202 19.000 -0.596 0.000 0.810 71 A HN 0.268 nan 8.150 nan 0.000 0.446 72 M N -1.381 118.224 119.600 0.008 0.000 2.236 72 M HA -0.003 4.477 4.480 -0.001 0.000 0.266 72 M C 1.636 177.982 176.300 0.076 0.000 1.070 72 M CA 1.183 56.536 55.300 0.088 0.000 1.137 72 M CB -0.070 32.628 32.600 0.164 0.000 1.378 72 M HN 0.296 nan 8.290 nan 0.000 0.426 73 L N 0.225 121.492 121.223 0.073 0.000 2.046 73 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 73 L C 2.216 179.069 176.870 -0.028 0.000 1.077 73 L CA 1.819 56.701 54.840 0.069 0.000 0.747 73 L CB -1.482 40.667 42.059 0.149 0.000 0.896 73 L HN 0.405 nan 8.230 nan 0.000 0.432 74 F N 0.516 120.300 119.950 -0.276 0.000 2.046 74 F HA -0.262 4.265 4.527 -0.001 0.000 0.297 74 F C 2.363 178.056 175.800 -0.177 0.000 1.123 74 F CA 1.713 59.393 58.000 -0.534 0.000 1.199 74 F CB -0.727 38.003 39.000 -0.451 0.000 0.972 74 F HN 0.058 nan 8.300 nan 0.000 0.474 75 A N 1.166 123.878 122.820 -0.179 0.000 1.908 75 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 75 A C 2.306 179.784 177.584 -0.176 0.000 1.181 75 A CA 1.965 53.944 52.037 -0.096 0.000 0.627 75 A CB -1.162 17.965 19.000 0.211 0.000 0.818 75 A HN 0.490 nan 8.150 nan 0.000 0.445 76 I N 0.278 120.772 120.570 -0.126 0.000 2.226 76 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 76 I C 1.921 177.955 176.117 -0.137 0.000 1.100 76 I CA 1.742 62.969 61.300 -0.122 0.000 1.374 76 I CB -1.455 36.518 38.000 -0.045 0.000 1.057 76 I HN 0.294 nan 8.210 nan 0.000 0.413 77 D N 0.812 121.122 120.400 -0.150 0.000 2.092 77 D HA -0.175 4.465 4.640 -0.001 0.000 0.193 77 D C 2.139 178.355 176.300 -0.140 0.000 0.994 77 D CA 1.096 55.020 54.000 -0.127 0.000 0.828 77 D CB -0.127 40.599 40.800 -0.123 0.000 0.963 77 D HN 0.280 nan 8.370 nan 0.000 0.450 78 E N 0.528 120.591 120.200 -0.228 0.000 2.038 78 E HA -0.146 4.204 4.350 -0.001 0.000 0.195 78 E C 2.527 179.105 176.600 -0.037 0.000 1.000 78 E CA 0.456 56.796 56.400 -0.100 0.000 0.803 78 E CB -0.434 29.247 29.700 -0.032 0.000 0.750 78 E HN 0.408 nan 8.360 nan 0.000 0.448 79 I N 1.780 122.272 120.570 -0.130 0.000 2.335 79 I HA -0.263 3.907 4.170 -0.001 0.000 0.251 79 I C 1.654 177.692 176.117 -0.131 0.000 1.129 79 I CA 0.857 62.035 61.300 -0.203 0.000 1.402 79 I CB -0.317 37.448 38.000 -0.393 0.000 1.069 79 I HN 0.017 nan 8.210 nan 0.000 0.424 80 N N 0.883 119.519 118.700 -0.106 0.000 2.515 80 N HA -0.075 4.664 4.740 -0.001 0.000 0.185 80 N C 1.304 176.780 175.510 -0.057 0.000 1.109 80 N CA 0.862 53.867 53.050 -0.075 0.000 0.903 80 N CB 0.053 38.504 38.487 -0.060 0.000 0.969 80 N HN 0.435 nan 8.380 nan 0.000 0.450 81 K N -0.245 120.126 120.400 -0.048 0.000 2.355 81 K HA 0.068 4.387 4.320 -0.001 0.000 0.198 81 K C -0.174 176.403 176.600 -0.038 0.000 1.039 81 K CA -0.159 56.110 56.287 -0.031 0.000 1.075 81 K CB 0.691 33.188 32.500 -0.005 0.000 0.870 81 K HN -0.043 nan 8.250 nan 0.000 0.540 82 D N 1.235 121.606 120.400 -0.047 0.000 2.339 82 D HA 0.059 4.698 4.640 -0.001 0.000 0.241 82 D C 0.234 176.453 176.300 -0.136 0.000 1.183 82 D CA 0.005 53.971 54.000 -0.055 0.000 0.859 82 D CB 0.653 41.445 40.800 -0.013 0.000 1.067 82 D HN -0.035 nan 8.370 nan 0.000 0.484 83 N N 2.893 121.438 118.700 -0.258 0.000 2.550 83 N HA -0.116 4.623 4.740 -0.001 0.000 0.186 83 N C 0.563 175.756 175.510 -0.528 0.000 1.110 83 N CA 0.542 53.344 53.050 -0.413 0.000 0.912 83 N CB 0.196 38.356 38.487 -0.545 0.000 0.968 83 N HN 0.600 nan 8.380 nan 0.000 0.448 84 Y N -0.401 119.868 120.300 -0.053 0.000 2.444 84 Y HA 0.269 4.819 4.550 -0.001 0.000 0.249 84 Y C 0.281 176.037 175.900 -0.241 0.000 1.134 84 Y CA -0.545 57.505 58.100 -0.083 0.000 1.261 84 Y CB 0.807 39.230 38.460 -0.062 0.000 1.143 84 Y HN -0.090 nan 8.280 nan 0.000 0.523 85 L N 0.665 121.789 121.223 -0.166 0.000 2.342 85 L HA 0.446 4.786 4.340 -0.001 0.000 0.276 85 L C -0.456 176.306 176.870 -0.179 0.000 0.997 85 L CA -1.118 53.492 54.840 -0.382 0.000 0.838 85 L CB 1.030 42.881 42.059 -0.347 0.000 1.224 85 L HN 0.077 nan 8.230 nan 0.000 0.416 86 L N 5.456 126.702 121.223 0.039 0.000 3.634 86 L HA -0.124 4.216 4.340 -0.001 0.000 0.423 86 L C -2.098 174.791 176.870 0.032 0.000 1.253 86 L CA 0.595 55.506 54.840 0.119 0.000 0.885 86 L CB -1.802 40.255 42.059 -0.004 0.000 1.789 86 L HN 0.575 nan 8.230 nan 0.000 0.904 87 P HA 0.324 nan 4.420 nan 0.000 0.274 87 P C 1.208 178.507 177.300 -0.002 0.000 1.237 87 P CA 0.980 64.069 63.100 -0.019 0.000 0.793 87 P CB 0.997 32.675 31.700 -0.037 0.000 0.977 88 G N 0.365 109.154 108.800 -0.019 0.000 2.220 88 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.269 88 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.269 88 G C -0.069 174.825 174.900 -0.011 0.000 0.977 88 G CA 0.262 45.354 45.100 -0.013 0.000 0.634 88 G HN 0.573 nan 8.290 nan 0.000 0.539 89 V N 1.532 121.439 119.914 -0.010 0.000 2.340 89 V HA 0.394 4.513 4.120 -0.001 0.000 0.277 89 V C 0.446 176.526 176.094 -0.023 0.000 1.017 89 V CA -0.889 61.404 62.300 -0.013 0.000 0.820 89 V CB 1.535 33.354 31.823 -0.006 0.000 1.028 89 V HN 0.381 nan 8.190 nan 0.000 0.436 90 K N 4.737 125.123 120.400 -0.023 0.000 2.350 90 K HA 0.450 4.769 4.320 -0.001 0.000 0.279 90 K C -0.792 175.791 176.600 -0.029 0.000 1.027 90 K CA -0.374 55.896 56.287 -0.029 0.000 0.969 90 K CB 0.700 33.186 32.500 -0.022 0.000 0.954 90 K HN 0.546 nan 8.250 nan 0.000 0.474 91 L N 3.660 124.860 121.223 -0.039 0.000 2.275 91 L HA 0.378 4.717 4.340 -0.001 0.000 0.288 91 L C 0.713 177.571 176.870 -0.020 0.000 1.046 91 L CA -0.574 54.244 54.840 -0.037 0.000 0.805 91 L CB 1.615 43.638 42.059 -0.061 0.000 1.193 91 L HN 0.845 nan 8.230 nan 0.000 0.426 92 G N 2.174 110.971 108.800 -0.006 0.000 2.820 92 G HA2 0.734 4.693 3.960 -0.001 0.000 0.291 92 G HA3 0.734 4.693 3.960 -0.001 0.000 0.291 92 G C -0.860 174.061 174.900 0.035 0.000 1.323 92 G CA -0.399 44.709 45.100 0.013 0.000 1.055 92 G HN 0.517 nan 8.290 nan 0.000 0.520 93 V N -3.571 116.385 119.914 0.069 0.000 3.188 93 V HA 0.743 4.863 4.120 -0.001 0.000 0.305 93 V C -1.319 174.900 176.094 0.208 0.000 1.232 93 V CA -1.006 61.367 62.300 0.123 0.000 1.043 93 V CB 1.786 33.697 31.823 0.146 0.000 1.068 93 V HN 1.045 nan 8.190 nan 0.000 0.439 94 H N 2.335 121.490 119.070 0.141 0.000 2.974 94 H HA 0.629 5.184 4.556 -0.001 0.000 0.285 94 H C -1.324 174.215 175.328 0.352 0.000 1.227 94 H CA -0.747 55.445 56.048 0.240 0.000 1.569 94 H CB 1.129 31.061 29.762 0.284 0.000 1.648 94 H HN 0.745 nan 8.280 nan 0.000 0.521 95 I N 6.157 127.035 120.570 0.515 0.000 2.359 95 I HA 0.255 4.424 4.170 -0.001 0.000 0.294 95 I C -0.542 175.882 176.117 0.512 0.000 0.987 95 I CA -0.533 61.064 61.300 0.495 0.000 1.225 95 I CB 1.538 39.821 38.000 0.472 0.000 1.366 95 I HN 0.359 nan 8.210 nan 0.000 0.466 96 L N 4.539 126.016 121.223 0.423 0.000 2.354 96 L HA 0.484 4.824 4.340 -0.001 0.000 0.264 96 L C -0.475 176.544 176.870 0.248 0.000 1.008 96 L CA -0.918 54.125 54.840 0.338 0.000 0.819 96 L CB 2.072 44.187 42.059 0.094 0.000 1.339 96 L HN 0.469 nan 8.230 nan 0.000 0.420 97 D N 0.096 120.633 120.400 0.229 0.000 2.304 97 D HA 0.134 4.774 4.640 -0.001 0.000 0.250 97 D C 0.780 177.236 176.300 0.261 0.000 1.107 97 D CA -0.033 54.024 54.000 0.094 0.000 0.885 97 D CB 1.809 42.670 40.800 0.101 0.000 1.192 97 D HN 0.683 nan 8.370 nan 0.000 0.436 98 T N -1.044 113.625 114.554 0.193 0.000 3.022 98 T HA 0.024 4.373 4.350 -0.001 0.000 0.250 98 T C 1.411 176.222 174.700 0.185 0.000 1.060 98 T CA 0.058 62.312 62.100 0.257 0.000 1.013 98 T CB -0.668 68.302 68.868 0.170 0.000 0.982 98 T HN 0.564 nan 8.240 nan 0.000 0.508 99 c N 1.861 120.460 118.600 -0.002 0.000 4.184 99 c HA -0.195 4.374 4.570 -0.001 0.000 0.295 99 c C 1.302 175.319 174.090 -0.120 0.000 1.477 99 c CA 0.365 56.583 56.329 -0.185 0.000 2.037 99 c CB -3.224 38.920 42.510 -0.609 0.000 1.282 99 c HN 0.879 nan 8.230 nan 0.000 0.783 100 S N -1.864 113.828 115.700 -0.013 0.000 3.521 100 S HA -0.236 4.234 4.470 -0.001 0.000 0.328 100 S C 0.062 174.538 174.600 -0.207 0.000 1.165 100 S CA 1.641 59.785 58.200 -0.093 0.000 0.941 100 S CB -0.755 62.340 63.200 -0.175 0.000 0.951 100 S HN 0.872 nan 8.310 nan 0.000 0.539 101 R N 0.485 120.948 120.500 -0.061 0.000 2.502 101 R HA 0.235 4.574 4.340 -0.001 0.000 0.300 101 R C 0.629 176.958 176.300 0.049 0.000 0.984 101 R CA -0.380 55.699 56.100 -0.035 0.000 0.882 101 R CB 1.099 31.396 30.300 -0.006 0.000 1.180 101 R HN 0.241 nan 8.270 nan 0.000 0.444 102 D N 1.401 121.812 120.400 0.018 0.000 2.133 102 D HA -0.235 4.404 4.640 -0.001 0.000 0.195 102 D C 1.461 177.791 176.300 0.051 0.000 0.997 102 D CA 2.405 56.428 54.000 0.039 0.000 0.840 102 D CB -0.460 40.354 40.800 0.023 0.000 0.947 102 D HN 0.604 nan 8.370 nan 0.000 0.452 103 T N -2.818 111.768 114.554 0.054 0.000 2.788 103 T HA -0.241 4.109 4.350 -0.001 0.000 0.268 103 T C 2.101 176.839 174.700 0.064 0.000 1.044 103 T CA 1.114 63.244 62.100 0.050 0.000 1.139 103 T CB -1.091 67.806 68.868 0.049 0.000 0.867 103 T HN 0.264 nan 8.240 nan 0.000 0.454 104 Y N 2.217 122.508 120.300 -0.015 0.000 2.163 104 Y HA 0.165 4.714 4.550 -0.001 0.000 0.288 104 Y C 2.840 178.729 175.900 -0.020 0.000 1.136 104 Y CA 1.010 59.102 58.100 -0.012 0.000 1.147 104 Y CB -0.819 37.638 38.460 -0.005 0.000 0.987 104 Y HN 0.306 nan 8.280 nan 0.000 0.509 105 A N 0.488 123.385 122.820 0.127 0.000 1.908 105 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 105 A C 2.348 179.894 177.584 -0.064 0.000 1.181 105 A CA 1.687 53.750 52.037 0.043 0.000 0.627 105 A CB -1.169 17.881 19.000 0.082 0.000 0.818 105 A HN 0.612 nan 8.150 nan 0.000 0.445 106 L N -0.346 120.852 121.223 -0.041 0.000 2.017 106 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 106 L C 2.472 179.269 176.870 -0.122 0.000 1.073 106 L CA 2.330 57.137 54.840 -0.055 0.000 0.745 106 L CB -0.590 41.458 42.059 -0.018 0.000 0.894 106 L HN 0.545 nan 8.230 nan 0.000 0.432 107 E N -0.778 119.326 120.200 -0.160 0.000 2.077 107 E HA -0.250 4.099 4.350 -0.001 0.000 0.193 107 E C 2.158 178.590 176.600 -0.279 0.000 0.989 107 E CA 0.938 57.217 56.400 -0.203 0.000 0.800 107 E CB -0.043 29.521 29.700 -0.226 0.000 0.746 107 E HN 0.541 nan 8.360 nan 0.000 0.452 108 Q N 0.475 120.055 119.800 -0.366 0.000 2.061 108 Q HA -0.123 4.217 4.340 -0.001 0.000 0.204 108 Q C 2.364 178.055 176.000 -0.515 0.000 0.984 108 Q CA 1.217 56.777 55.803 -0.404 0.000 0.846 108 Q CB -0.397 28.129 28.738 -0.354 0.000 0.902 108 Q HN 0.143 nan 8.270 nan 0.000 0.421 109 S N 1.100 116.517 115.700 -0.471 0.000 2.440 109 S HA -0.108 4.361 4.470 -0.001 0.000 0.238 109 S C 1.807 176.147 174.600 -0.432 0.000 1.010 109 S CA 0.409 58.260 58.200 -0.582 0.000 0.972 109 S CB -0.140 62.947 63.200 -0.187 0.000 0.774 109 S HN 0.172 nan 8.310 nan 0.000 0.501 110 L N 1.721 122.764 121.223 -0.300 0.000 2.189 110 L HA -0.087 4.253 4.340 -0.001 0.000 0.214 110 L C 2.265 178.993 176.870 -0.238 0.000 1.097 110 L CA 1.530 56.236 54.840 -0.222 0.000 0.764 110 L CB -1.047 40.915 42.059 -0.162 0.000 0.900 110 L HN 0.191 nan 8.230 nan 0.000 0.436 111 E N -0.999 119.006 120.200 -0.326 0.000 2.153 111 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 111 E C 2.141 178.694 176.600 -0.079 0.000 0.988 111 E CA 1.217 57.477 56.400 -0.234 0.000 0.811 111 E CB -0.231 29.255 29.700 -0.357 0.000 0.746 111 E HN 0.554 nan 8.360 nan 0.000 0.466 112 F N -0.990 118.886 119.950 -0.123 0.000 2.407 112 F HA -0.086 4.440 4.527 -0.001 0.000 0.299 112 F C 1.981 177.679 175.800 -0.170 0.000 1.097 112 F CA 0.376 58.313 58.000 -0.104 0.000 1.422 112 F CB 0.236 39.174 39.000 -0.104 0.000 1.067 112 F HN 0.055 nan 8.300 nan 0.000 0.539 113 V N -2.565 117.266 119.914 -0.139 0.000 3.431 113 V HA 0.108 4.228 4.120 -0.001 0.000 0.253 113 V C 1.845 177.736 176.094 -0.338 0.000 1.184 113 V CA 0.312 62.334 62.300 -0.463 0.000 1.104 113 V CB -0.321 30.806 31.823 -1.161 0.000 0.799 113 V HN 0.118 nan 8.190 nan 0.000 0.462 114 R N 1.422 121.812 120.500 -0.183 0.000 2.148 114 R HA 0.134 4.473 4.340 -0.001 0.000 0.227 114 R C 2.502 178.781 176.300 -0.035 0.000 1.103 114 R CA 1.289 57.334 56.100 -0.091 0.000 0.983 114 R CB -0.584 29.684 30.300 -0.053 0.000 0.874 114 R HN 0.604 nan 8.270 nan 0.000 0.451 115 A N 1.618 124.432 122.820 -0.010 0.000 1.917 115 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 115 A C 1.876 179.472 177.584 0.020 0.000 1.182 115 A CA 1.962 54.019 52.037 0.034 0.000 0.633 115 A CB -0.481 18.572 19.000 0.089 0.000 0.819 115 A HN 0.398 nan 8.150 nan 0.000 0.448 116 S N -1.120 114.581 115.700 0.002 0.000 2.871 116 S HA 0.497 4.966 4.470 -0.001 0.000 0.254 116 S C -0.024 174.604 174.600 0.047 0.000 1.088 116 S CA -0.295 57.923 58.200 0.031 0.000 1.166 116 S CB -0.660 62.572 63.200 0.053 0.000 0.826 116 S HN 0.148 nan 8.310 nan 0.000 0.471 139 P HA 0.379 nan 4.420 nan 0.000 0.276 139 P C -0.727 176.583 177.300 0.015 0.000 1.230 139 P CA 0.158 63.268 63.100 0.016 0.000 0.776 139 P CB 1.208 32.928 31.700 0.034 0.000 0.888 140 L N 3.054 124.294 121.223 0.028 0.000 2.295 140 L HA 0.293 4.632 4.340 -0.001 0.000 0.285 140 L C 0.622 177.539 176.870 0.079 0.000 1.035 140 L CA -1.351 53.510 54.840 0.035 0.000 0.806 140 L CB 1.319 43.380 42.059 0.003 0.000 1.214 140 L HN 0.315 nan 8.230 nan 0.000 0.426 141 L N 4.921 126.172 121.223 0.046 0.000 2.462 141 L HA 0.199 4.539 4.340 -0.001 0.000 0.272 141 L C -0.250 176.641 176.870 0.034 0.000 1.166 141 L CA 0.434 55.299 54.840 0.041 0.000 0.880 141 L CB 0.244 42.319 42.059 0.026 0.000 1.142 141 L HN 0.277 nan 8.230 nan 0.000 0.473 142 I N 5.915 126.499 120.570 0.024 0.000 2.321 142 I HA 0.249 4.419 4.170 -0.001 0.000 0.291 142 I C 1.148 177.241 176.117 -0.040 0.000 0.998 142 I CA -0.184 61.097 61.300 -0.032 0.000 1.227 142 I CB 0.496 38.436 38.000 -0.099 0.000 1.368 142 I HN 0.803 nan 8.210 nan 0.000 0.466 143 A N 5.174 127.966 122.820 -0.047 0.000 1.930 143 A HA 0.439 4.758 4.320 -0.001 0.000 0.215 143 A C 1.059 178.615 177.584 -0.048 0.000 1.176 143 A CA 1.128 53.145 52.037 -0.032 0.000 0.632 143 A CB -0.117 18.864 19.000 -0.032 0.000 0.819 143 A HN 0.830 nan 8.150 nan 0.000 0.445 144 G N -2.607 106.136 108.800 -0.095 0.000 2.601 144 G HA2 0.486 4.445 3.960 -0.001 0.000 0.291 144 G HA3 0.486 4.445 3.960 -0.001 0.000 0.291 144 G C -1.741 173.053 174.900 -0.177 0.000 1.456 144 G CA -0.231 44.804 45.100 -0.108 0.000 0.804 144 G HN 0.376 nan 8.290 nan 0.000 0.499 145 V N 1.480 121.298 119.914 -0.160 0.000 2.555 145 V HA 0.506 4.626 4.120 -0.001 0.000 0.302 145 V C -0.532 175.511 176.094 -0.084 0.000 1.038 145 V CA -0.896 61.280 62.300 -0.207 0.000 0.887 145 V CB 1.727 33.423 31.823 -0.212 0.000 0.991 145 V HN 0.597 nan 8.190 nan 0.000 0.434 146 I N 4.383 124.925 120.570 -0.047 0.000 2.328 146 I HA 0.820 4.989 4.170 -0.001 0.000 0.287 146 I C 0.607 176.719 176.117 -0.009 0.000 1.012 146 I CA 0.280 61.606 61.300 0.044 0.000 1.195 146 I CB 0.430 38.524 38.000 0.157 0.000 1.350 146 I HN 0.869 nan 8.210 nan 0.000 0.464 147 G N 3.406 112.146 108.800 -0.100 0.000 2.352 147 G HA2 0.542 4.502 3.960 -0.001 0.000 0.302 147 G HA3 0.542 4.502 3.960 -0.001 0.000 0.302 147 G C -0.631 174.095 174.900 -0.290 0.000 1.370 147 G CA 0.019 44.948 45.100 -0.285 0.000 0.918 147 G HN 1.029 nan 8.290 nan 0.000 0.610 148 G N -1.386 107.210 108.800 -0.340 0.000 3.367 148 G HA2 0.392 4.351 3.960 -0.001 0.000 0.686 148 G HA3 0.392 4.351 3.960 -0.001 0.000 0.686 148 G C 0.355 175.029 174.900 -0.377 0.000 1.146 148 G CA 0.539 45.523 45.100 -0.193 0.000 0.913 148 G HN 1.602 nan 8.290 nan 0.000 0.554 149 S N 0.750 116.336 115.700 -0.190 0.000 2.527 149 S HA 0.261 4.730 4.470 -0.001 0.000 0.225 149 S C 0.862 175.286 174.600 -0.293 0.000 1.046 149 S CA 0.445 58.505 58.200 -0.232 0.000 0.929 149 S CB -0.045 63.081 63.200 -0.124 0.000 0.851 149 S HN 0.565 nan 8.310 nan 0.000 0.565 150 Y N 2.470 122.714 120.300 -0.095 0.000 2.526 150 Y HA 0.118 4.667 4.550 -0.001 0.000 0.330 150 Y C 1.818 177.668 175.900 -0.083 0.000 1.156 150 Y CA -0.150 57.885 58.100 -0.109 0.000 1.419 150 Y CB 0.420 38.838 38.460 -0.069 0.000 1.250 150 Y HN 0.114 nan 8.280 nan 0.000 0.540 151 S N 1.005 116.743 115.700 0.064 0.000 2.383 151 S HA -0.247 4.223 4.470 -0.001 0.000 0.229 151 S C 2.166 176.769 174.600 0.005 0.000 1.030 151 S CA 1.654 59.871 58.200 0.028 0.000 1.002 151 S CB -0.404 62.861 63.200 0.108 0.000 0.829 151 S HN 0.873 nan 8.310 nan 0.000 0.467 152 S N 1.721 117.467 115.700 0.077 0.000 2.382 152 S HA -0.102 4.368 4.470 -0.001 0.000 0.228 152 S C 2.101 176.714 174.600 0.022 0.000 1.027 152 S CA 1.192 59.414 58.200 0.038 0.000 0.991 152 S CB -0.955 62.276 63.200 0.051 0.000 0.823 152 S HN 0.511 nan 8.310 nan 0.000 0.469 153 V N 0.780 120.727 119.914 0.057 0.000 2.453 153 V HA -0.041 4.079 4.120 -0.001 0.000 0.247 153 V C 2.184 178.286 176.094 0.013 0.000 1.048 153 V CA 2.146 64.475 62.300 0.047 0.000 1.049 153 V CB -1.242 30.633 31.823 0.086 0.000 0.672 153 V HN 0.487 nan 8.190 nan 0.000 0.457 154 S N 0.526 116.214 115.700 -0.021 0.000 2.382 154 S HA -0.043 4.426 4.470 -0.001 0.000 0.228 154 S C 1.780 176.282 174.600 -0.163 0.000 1.027 154 S CA 2.086 60.253 58.200 -0.054 0.000 0.991 154 S CB -0.486 62.677 63.200 -0.061 0.000 0.823 154 S HN 0.668 nan 8.310 nan 0.000 0.469 155 I N 1.510 121.944 120.570 -0.227 0.000 2.113 155 I HA -0.217 3.953 4.170 -0.001 0.000 0.238 155 I C 2.767 178.874 176.117 -0.018 0.000 1.070 155 I CA 1.142 62.285 61.300 -0.262 0.000 1.332 155 I CB -0.398 37.463 38.000 -0.231 0.000 1.044 155 I HN 0.261 nan 8.210 nan 0.000 0.402 156 Q N 0.286 120.093 119.800 0.011 0.000 2.061 156 Q HA -0.178 4.161 4.340 -0.001 0.000 0.204 156 Q C 2.463 178.502 176.000 0.064 0.000 0.984 156 Q CA 1.551 57.384 55.803 0.050 0.000 0.846 156 Q CB -0.652 28.108 28.738 0.035 0.000 0.902 156 Q HN 0.417 nan 8.270 nan 0.000 0.421 157 V N 1.313 121.261 119.914 0.057 0.000 2.407 157 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 157 V C 2.427 178.596 176.094 0.124 0.000 1.055 157 V CA 1.723 64.075 62.300 0.087 0.000 1.049 157 V CB -1.084 30.799 31.823 0.099 0.000 0.662 157 V HN 0.345 nan 8.190 nan 0.000 0.455 158 A N 0.456 123.352 122.820 0.127 0.000 1.933 158 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 158 A C 2.030 179.732 177.584 0.196 0.000 1.175 158 A CA 1.956 54.110 52.037 0.195 0.000 0.628 158 A CB -0.640 18.464 19.000 0.174 0.000 0.814 158 A HN 0.596 nan 8.150 nan 0.000 0.444 159 N N -0.469 118.336 118.700 0.175 0.000 2.309 159 N HA -0.106 4.633 4.740 -0.001 0.000 0.182 159 N C 1.489 177.057 175.510 0.096 0.000 1.018 159 N CA 1.351 54.471 53.050 0.117 0.000 0.876 159 N CB -0.325 38.221 38.487 0.098 0.000 0.972 159 N HN 0.497 nan 8.380 nan 0.000 0.434 160 L N 0.144 121.438 121.223 0.118 0.000 2.145 160 L HA 0.109 4.448 4.340 -0.001 0.000 0.201 160 L C 1.704 178.703 176.870 0.214 0.000 1.075 160 L CA 0.992 55.925 54.840 0.154 0.000 0.773 160 L CB -0.621 41.509 42.059 0.118 0.000 0.936 160 L HN -0.110 nan 8.230 nan 0.000 0.451 161 L N 0.710 122.032 121.223 0.164 0.000 2.127 161 L HA -0.157 4.182 4.340 -0.001 0.000 0.211 161 L C 2.818 179.707 176.870 0.032 0.000 1.089 161 L CA 2.075 57.000 54.840 0.142 0.000 0.757 161 L CB -1.234 40.902 42.059 0.128 0.000 0.899 161 L HN 0.485 nan 8.230 nan 0.000 0.434 162 R N -1.388 119.105 120.500 -0.011 0.000 2.120 162 R HA -0.143 4.196 4.340 -0.001 0.000 0.234 162 R C 1.914 178.050 176.300 -0.272 0.000 1.123 162 R CA 1.001 56.974 56.100 -0.213 0.000 0.975 162 R CB -0.736 29.581 30.300 0.029 0.000 0.866 162 R HN 0.161 nan 8.270 nan 0.000 0.446 163 L N 0.418 121.567 121.223 -0.125 0.000 2.265 163 L HA -0.021 4.318 4.340 -0.001 0.000 0.215 163 L C 0.941 177.479 176.870 -0.553 0.000 1.117 163 L CA 1.486 56.137 54.840 -0.315 0.000 0.782 163 L CB -0.388 41.482 42.059 -0.315 0.000 0.914 163 L HN 0.170 nan 8.230 nan 0.000 0.441 164 F N -1.235 118.602 119.950 -0.188 0.000 2.735 164 F HA 0.242 4.769 4.527 0.000 0.000 0.304 164 F C 0.709 176.356 175.800 -0.254 0.000 1.119 164 F CA -0.732 57.173 58.000 -0.159 0.000 1.280 164 F CB -0.486 38.466 39.000 -0.079 0.000 0.994 164 F HN 0.005 nan 8.300 nan 0.000 0.520 165 Q N 0.826 120.366 119.800 -0.433 0.000 2.451 165 Q HA -0.216 4.124 4.340 -0.001 0.000 0.305 165 Q C -0.388 175.415 176.000 -0.329 0.000 1.345 165 Q CA 0.554 55.875 55.803 -0.803 0.000 0.854 165 Q CB -1.907 26.698 28.738 -0.222 0.000 1.162 165 Q HN 0.505 nan 8.270 nan 0.000 0.440 166 I N 2.239 122.663 120.570 -0.244 0.000 2.328 166 I HA 0.266 4.436 4.170 -0.001 0.000 0.287 166 I C -1.754 174.424 176.117 0.101 0.000 1.012 166 I CA -2.278 59.018 61.300 -0.007 0.000 1.195 166 I CB 0.995 39.002 38.000 0.011 0.000 1.350 166 I HN -0.097 nan 8.210 nan 0.000 0.464 167 P HA -0.013 nan 4.420 nan 0.000 0.268 167 P C -1.094 176.269 177.300 0.104 0.000 1.205 167 P CA -0.038 63.209 63.100 0.246 0.000 0.771 167 P CB 0.892 32.731 31.700 0.232 0.000 0.858 168 Q N 2.448 122.327 119.800 0.132 0.000 2.347 168 Q HA 0.570 4.909 4.340 -0.001 0.000 0.271 168 Q C -1.508 174.459 176.000 -0.054 0.000 1.064 168 Q CA -0.734 55.108 55.803 0.065 0.000 0.800 168 Q CB 1.467 30.322 28.738 0.195 0.000 1.304 168 Q HN 0.384 nan 8.270 nan 0.000 0.438 169 I N 2.272 122.793 120.570 -0.081 0.000 2.439 169 I HA 0.278 4.448 4.170 -0.001 0.000 0.285 169 I C -0.332 175.712 176.117 -0.122 0.000 1.021 169 I CA -0.653 60.580 61.300 -0.112 0.000 1.091 169 I CB 2.029 40.085 38.000 0.094 0.000 1.242 169 I HN 0.461 nan 8.210 nan 0.000 0.439 170 S N 4.304 119.847 115.700 -0.263 0.000 2.585 170 S HA 0.380 4.850 4.470 -0.001 0.000 0.277 170 S C 0.184 174.680 174.600 -0.173 0.000 1.241 170 S CA -0.339 57.712 58.200 -0.249 0.000 1.041 170 S CB 0.602 63.792 63.200 -0.016 0.000 0.987 170 S HN 0.536 nan 8.310 nan 0.000 0.512 171 Y N 1.690 122.024 120.300 0.057 0.000 2.531 171 Y HA 0.734 5.283 4.550 -0.001 0.000 0.249 171 Y C 0.783 176.692 175.900 0.014 0.000 1.168 171 Y CA -0.145 58.014 58.100 0.098 0.000 1.226 171 Y CB -0.330 38.227 38.460 0.162 0.000 1.177 171 Y HN 0.591 nan 8.280 nan 0.000 0.527 172 A N -0.967 121.755 122.820 -0.164 0.000 2.692 172 A HA 0.242 4.561 4.320 -0.001 0.000 0.175 172 A C 0.315 177.821 177.584 -0.131 0.000 1.537 172 A CA -0.140 51.840 52.037 -0.095 0.000 1.134 172 A CB -0.533 18.487 19.000 0.034 0.000 1.419 172 A HN 0.066 nan 8.150 nan 0.000 0.514 173 S N 2.220 117.851 115.700 -0.115 0.000 2.443 173 S HA 0.308 4.778 4.470 -0.001 0.000 0.284 173 S C 1.307 175.957 174.600 0.084 0.000 1.206 173 S CA 0.672 58.860 58.200 -0.021 0.000 1.074 173 S CB 0.653 63.865 63.200 0.019 0.000 0.963 173 S HN 0.631 nan 8.310 nan 0.000 0.501 174 T N -0.516 114.120 114.554 0.137 0.000 3.086 174 T HA 0.139 4.489 4.350 -0.001 0.000 0.250 174 T C 0.844 175.688 174.700 0.240 0.000 1.074 174 T CA -0.311 61.922 62.100 0.221 0.000 0.988 174 T CB 0.108 69.161 68.868 0.308 0.000 0.988 174 T HN 0.428 nan 8.240 nan 0.000 0.530 175 S N 0.970 116.789 115.700 0.199 0.000 2.546 175 S HA 0.409 4.879 4.470 -0.001 0.000 0.290 175 S C 1.744 176.372 174.600 0.047 0.000 1.290 175 S CA 0.058 58.323 58.200 0.109 0.000 1.069 175 S CB 0.257 63.483 63.200 0.044 0.000 0.846 175 S HN 0.569 nan 8.310 nan 0.000 0.495 176 A N 5.640 128.482 122.820 0.036 0.000 2.024 176 A HA -0.095 4.225 4.320 -0.001 0.000 0.220 176 A C 2.118 179.685 177.584 -0.029 0.000 1.164 176 A CA 1.529 53.575 52.037 0.015 0.000 0.643 176 A CB -0.438 18.564 19.000 0.003 0.000 0.806 176 A HN 0.948 nan 8.150 nan 0.000 0.451 177 K N -0.470 119.902 120.400 -0.047 0.000 2.103 177 K HA -0.091 4.228 4.320 -0.001 0.000 0.207 177 K C 1.526 178.084 176.600 -0.070 0.000 1.048 177 K CA 1.369 57.635 56.287 -0.036 0.000 0.930 177 K CB -0.386 32.078 32.500 -0.060 0.000 0.716 177 K HN 0.505 nan 8.250 nan 0.000 0.444 178 L N 0.834 121.914 121.223 -0.238 0.000 2.456 178 L HA -0.123 4.217 4.340 -0.001 0.000 0.224 178 L C 1.842 178.767 176.870 0.092 0.000 1.148 178 L CA 0.596 55.226 54.840 -0.350 0.000 0.825 178 L CB -0.141 41.606 42.059 -0.521 0.000 0.937 178 L HN 0.074 nan 8.230 nan 0.000 0.450 179 S N -1.470 114.296 115.700 0.110 0.000 2.522 179 S HA -0.081 4.389 4.470 -0.001 0.000 0.227 179 S C 0.719 175.456 174.600 0.229 0.000 0.986 179 S CA 0.146 58.440 58.200 0.157 0.000 0.929 179 S CB -0.283 62.849 63.200 -0.114 0.000 0.769 179 S HN 0.345 nan 8.310 nan 0.000 0.529 180 D N 2.274 122.812 120.400 0.229 0.000 2.367 180 D HA 0.063 4.703 4.640 -0.001 0.000 0.255 180 D C 0.774 177.228 176.300 0.257 0.000 1.300 180 D CA 0.075 54.211 54.000 0.228 0.000 0.959 180 D CB 0.359 41.272 40.800 0.189 0.000 1.064 180 D HN -0.124 nan 8.370 nan 0.000 0.509 181 K N 1.595 122.144 120.400 0.249 0.000 2.555 181 K HA -0.050 4.270 4.320 -0.001 0.000 0.193 181 K C 1.591 178.236 176.600 0.076 0.000 1.032 181 K CA 0.248 56.647 56.287 0.186 0.000 1.004 181 K CB -0.008 32.605 32.500 0.189 0.000 0.804 181 K HN 0.442 nan 8.250 nan 0.000 0.496 182 S N -0.341 115.384 115.700 0.041 0.000 2.478 182 S HA 0.056 4.526 4.470 -0.001 0.000 0.222 182 S C 1.836 176.375 174.600 -0.102 0.000 1.008 182 S CA 0.124 58.314 58.200 -0.016 0.000 0.928 182 S CB 0.246 63.440 63.200 -0.009 0.000 0.781 182 S HN 0.231 nan 8.310 nan 0.000 0.518 183 R N -0.890 119.485 120.500 -0.208 0.000 2.164 183 R HA 0.274 4.613 4.340 -0.001 0.000 0.198 183 R C -0.132 175.759 176.300 -0.682 0.000 1.028 183 R CA 0.431 56.212 56.100 -0.532 0.000 1.083 183 R CB 0.175 29.974 30.300 -0.836 0.000 1.026 183 R HN 0.473 nan 8.270 nan 0.000 0.514 184 Y N 1.813 122.135 120.300 0.037 0.000 2.696 184 Y HA 0.118 4.668 4.550 0.000 0.000 0.378 184 Y C 0.279 176.225 175.900 0.078 0.000 1.012 184 Y CA -0.995 57.139 58.100 0.055 0.000 1.396 184 Y CB 0.192 38.648 38.460 -0.007 0.000 1.415 184 Y HN 0.102 nan 8.280 nan 0.000 0.569 185 D N -1.049 119.391 120.400 0.066 0.000 2.378 185 D HA -0.215 4.424 4.640 -0.001 0.000 0.222 185 D C 0.420 176.348 176.300 -0.620 0.000 0.980 185 D CA 1.052 54.984 54.000 -0.113 0.000 0.907 185 D CB -0.163 40.583 40.800 -0.089 0.000 0.899 185 D HN 0.445 nan 8.370 nan 0.000 0.527 186 Y N -0.963 119.086 120.300 -0.419 0.000 2.660 186 Y HA 0.289 4.838 4.550 -0.001 0.000 0.254 186 Y C -0.413 175.294 175.900 -0.322 0.000 1.176 186 Y CA -0.976 56.680 58.100 -0.739 0.000 1.195 186 Y CB 0.204 38.500 38.460 -0.274 0.000 1.190 186 Y HN -0.152 nan 8.280 nan 0.000 0.535 187 F N 0.990 120.875 119.950 -0.109 0.000 2.443 187 F HA 0.808 5.334 4.527 -0.001 0.000 0.335 187 F C -0.202 175.758 175.800 0.267 0.000 1.104 187 F CA -0.889 57.196 58.000 0.142 0.000 1.013 187 F CB 0.763 39.850 39.000 0.145 0.000 1.136 187 F HN -0.098 nan 8.300 nan 0.000 0.470 188 A N 5.868 128.339 122.820 -0.582 0.000 2.524 188 A HA 0.975 5.295 4.320 -0.001 0.000 0.286 188 A C -1.334 175.803 177.584 -0.745 0.000 1.203 188 A CA -0.924 50.842 52.037 -0.451 0.000 0.736 188 A CB 2.006 20.704 19.000 -0.503 0.000 1.322 188 A HN 0.909 nan 8.150 nan 0.000 0.424 189 R N -1.297 119.132 120.500 -0.118 0.000 2.687 189 R HA 0.414 4.754 4.340 -0.001 0.000 0.265 189 R C -0.742 175.722 176.300 0.273 0.000 1.048 189 R CA 0.149 56.252 56.100 0.005 0.000 0.884 189 R CB 0.561 30.860 30.300 -0.002 0.000 1.258 189 R HN 0.830 nan 8.270 nan 0.000 0.469 190 T N -1.594 113.090 114.554 0.216 0.000 3.188 190 T HA 0.241 4.590 4.350 -0.001 0.000 0.250 190 T C 0.820 175.565 174.700 0.075 0.000 1.077 190 T CA 0.324 62.543 62.100 0.198 0.000 0.967 190 T CB -0.569 68.494 68.868 0.326 0.000 1.006 190 T HN 0.486 nan 8.240 nan 0.000 0.552 191 V N -2.373 117.510 119.914 -0.052 0.000 3.001 191 V HA 0.853 4.972 4.120 -0.001 0.000 0.314 191 V C -3.096 172.975 176.094 -0.038 0.000 1.099 191 V CA -3.017 59.139 62.300 -0.240 0.000 0.989 191 V CB 2.468 34.042 31.823 -0.415 0.000 1.040 191 V HN -0.085 nan 8.190 nan 0.000 0.434 192 P HA 0.481 nan 4.420 nan 0.000 0.280 192 P C -2.945 174.503 177.300 0.247 0.000 1.272 192 P CA -2.125 61.042 63.100 0.111 0.000 0.819 192 P CB 0.964 32.685 31.700 0.035 0.000 1.122 193 P HA 0.150 nan 4.420 nan 0.000 0.282 193 P C 0.002 177.566 177.300 0.440 0.000 1.249 193 P CA -0.088 63.222 63.100 0.350 0.000 0.806 193 P CB 0.694 32.566 31.700 0.286 0.000 0.984 194 D N 0.952 121.544 120.400 0.320 0.000 2.392 194 D HA -0.099 4.541 4.640 -0.001 0.000 0.228 194 D C 1.305 177.689 176.300 0.141 0.000 1.003 194 D CA 0.582 54.751 54.000 0.283 0.000 0.917 194 D CB -0.637 40.311 40.800 0.247 0.000 0.890 194 D HN 0.371 nan 8.370 nan 0.000 0.532 195 F N 0.561 120.490 119.950 -0.035 0.000 2.161 195 F HA -0.289 4.238 4.527 -0.000 0.000 0.300 195 F C 1.536 177.146 175.800 -0.317 0.000 1.089 195 F CA 1.484 59.339 58.000 -0.242 0.000 1.282 195 F CB -0.299 38.472 39.000 -0.382 0.000 1.010 195 F HN -0.042 nan 8.300 nan 0.000 0.485 196 Y N -0.057 120.249 120.300 0.011 0.000 2.269 196 Y HA -0.070 4.480 4.550 -0.001 0.000 0.294 196 Y C 2.766 178.357 175.900 -0.515 0.000 1.120 196 Y CA 1.377 59.376 58.100 -0.167 0.000 1.159 196 Y CB -1.148 37.516 38.460 0.341 0.000 1.024 196 Y HN 0.114 nan 8.280 nan 0.000 0.532 197 Q N 0.604 120.270 119.800 -0.223 0.000 2.096 197 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 197 Q C 2.373 178.142 176.000 -0.385 0.000 0.982 197 Q CA 1.648 57.038 55.803 -0.689 0.000 0.850 197 Q CB -0.267 28.322 28.738 -0.249 0.000 0.901 197 Q HN 0.498 nan 8.270 nan 0.000 0.422 198 A N 0.884 123.615 122.820 -0.148 0.000 1.940 198 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 198 A C 1.919 179.398 177.584 -0.175 0.000 1.176 198 A CA 1.672 53.686 52.037 -0.038 0.000 0.631 198 A CB -0.358 18.579 19.000 -0.104 0.000 0.814 198 A HN 0.322 nan 8.150 nan 0.000 0.446 199 K N -0.425 119.716 120.400 -0.432 0.000 2.057 199 K HA -0.033 4.287 4.320 -0.001 0.000 0.206 199 K C 2.359 178.624 176.600 -0.558 0.000 1.050 199 K CA 1.038 57.048 56.287 -0.461 0.000 0.935 199 K CB -0.323 31.861 32.500 -0.527 0.000 0.715 199 K HN 0.439 nan 8.250 nan 0.000 0.439 200 A N 1.467 123.672 122.820 -1.025 0.000 1.877 200 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 200 A C 2.170 179.541 177.584 -0.354 0.000 1.186 200 A CA 1.618 53.016 52.037 -1.065 0.000 0.620 200 A CB -0.489 17.794 19.000 -1.196 0.000 0.822 200 A HN 0.180 nan 8.150 nan 0.000 0.443 201 M N -0.563 118.909 119.600 -0.213 0.000 2.086 201 M HA -0.144 4.336 4.480 -0.001 0.000 0.261 201 M C 2.531 178.970 176.300 0.232 0.000 1.067 201 M CA 1.520 56.837 55.300 0.028 0.000 1.116 201 M CB -0.410 32.209 32.600 0.032 0.000 1.348 201 M HN 0.472 nan 8.290 nan 0.000 0.407 202 A N 0.150 123.124 122.820 0.256 0.000 1.933 202 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 202 A C 1.931 179.604 177.584 0.147 0.000 1.175 202 A CA 1.633 53.811 52.037 0.234 0.000 0.628 202 A CB -0.668 18.310 19.000 -0.038 0.000 0.814 202 A HN 0.533 nan 8.150 nan 0.000 0.444 203 E N -0.421 119.826 120.200 0.079 0.000 2.204 203 E HA -0.109 4.240 4.350 -0.001 0.000 0.194 203 E C 1.801 178.487 176.600 0.143 0.000 0.989 203 E CA 0.896 57.361 56.400 0.107 0.000 0.824 203 E CB -0.236 29.550 29.700 0.144 0.000 0.756 203 E HN 0.717 nan 8.360 nan 0.000 0.477 204 I N 1.002 121.674 120.570 0.171 0.000 2.202 204 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 204 I C 2.325 178.642 176.117 0.332 0.000 1.091 204 I CA 0.941 62.389 61.300 0.246 0.000 1.368 204 I CB -0.218 37.972 38.000 0.316 0.000 1.058 204 I HN 0.121 nan 8.210 nan 0.000 0.410 205 L N 0.177 121.649 121.223 0.415 0.000 2.017 205 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 205 L C 2.741 179.742 176.870 0.218 0.000 1.073 205 L CA 1.277 56.422 54.840 0.507 0.000 0.745 205 L CB -0.756 41.644 42.059 0.568 0.000 0.894 205 L HN 0.210 nan 8.230 nan 0.000 0.432 206 R N 0.185 120.787 120.500 0.170 0.000 2.159 206 R HA -0.217 4.123 4.340 -0.001 0.000 0.237 206 R C 2.047 178.348 176.300 0.001 0.000 1.131 206 R CA 1.415 57.564 56.100 0.081 0.000 0.982 206 R CB -0.691 29.655 30.300 0.076 0.000 0.868 206 R HN 0.278 nan 8.270 nan 0.000 0.453 207 F N -0.424 119.411 119.950 -0.193 0.000 2.039 207 F HA -0.012 4.515 4.527 -0.001 0.000 0.294 207 F C 1.243 176.729 175.800 -0.524 0.000 1.130 207 F CA 1.423 59.192 58.000 -0.385 0.000 1.189 207 F CB -0.463 38.204 39.000 -0.556 0.000 0.983 207 F HN 0.000 nan 8.300 nan 0.000 0.471 208 F N 1.281 120.913 119.950 -0.529 0.000 2.795 208 F HA 0.067 4.594 4.527 -0.001 0.000 0.303 208 F C 0.620 175.969 175.800 -0.753 0.000 1.186 208 F CA 0.359 57.824 58.000 -0.891 0.000 1.415 208 F CB -0.950 37.113 39.000 -1.561 0.000 1.106 208 F HN 0.070 nan 8.300 nan 0.000 0.558 209 N N -1.439 117.066 118.700 -0.325 0.000 2.747 209 N HA -0.199 4.541 4.740 -0.001 0.000 0.249 209 N C -1.145 174.413 175.510 0.079 0.000 1.107 209 N CA 0.480 53.464 53.050 -0.110 0.000 0.707 209 N CB -1.549 36.875 38.487 -0.105 0.000 1.054 209 N HN 0.289 nan 8.380 nan 0.000 0.555 210 W N 0.663 122.052 121.300 0.149 0.000 2.581 210 W HA 0.263 4.923 4.660 -0.001 0.000 0.359 210 W C 1.129 177.743 176.519 0.158 0.000 1.167 210 W CA -0.238 57.194 57.345 0.146 0.000 1.517 210 W CB -0.636 28.915 29.460 0.152 0.000 1.519 210 W HN -0.034 nan 8.180 nan 0.000 0.431 211 T N 1.410 116.180 114.554 0.360 0.000 3.060 211 T HA -0.058 4.291 4.350 -0.001 0.000 0.249 211 T C -0.526 174.377 174.700 0.339 0.000 1.079 211 T CA 0.635 62.910 62.100 0.291 0.000 1.013 211 T CB -0.034 68.980 68.868 0.243 0.000 0.975 211 T HN 0.111 nan 8.240 nan 0.000 0.518 212 Y N 3.127 123.529 120.300 0.169 0.000 2.488 212 Y HA 0.533 5.082 4.550 -0.001 0.000 0.330 212 Y C -0.598 175.356 175.900 0.090 0.000 1.013 212 Y CA -1.973 56.191 58.100 0.107 0.000 1.304 212 Y CB 0.623 39.121 38.460 0.063 0.000 1.098 212 Y HN -0.006 nan 8.280 nan 0.000 0.498 213 V N 0.732 120.597 119.914 -0.082 0.000 3.141 213 V HA 0.811 4.931 4.120 -0.001 0.000 0.312 213 V C -0.602 175.382 176.094 -0.183 0.000 1.157 213 V CA -0.795 61.435 62.300 -0.118 0.000 1.041 213 V CB 1.942 33.792 31.823 0.046 0.000 1.071 213 V HN 0.498 nan 8.190 nan 0.000 0.441 214 S N 0.973 116.576 115.700 -0.161 0.000 2.578 214 S HA 0.869 5.339 4.470 -0.001 0.000 0.301 214 S C -0.178 174.379 174.600 -0.073 0.000 1.091 214 S CA -0.132 57.987 58.200 -0.134 0.000 1.032 214 S CB 1.683 64.785 63.200 -0.163 0.000 1.064 214 S HN 1.352 nan 8.310 nan 0.000 0.508 215 T N -0.942 113.591 114.554 -0.035 0.000 2.893 215 T HA 0.738 5.088 4.350 -0.001 0.000 0.293 215 T C -0.970 173.722 174.700 -0.013 0.000 1.027 215 T CA -0.805 61.283 62.100 -0.021 0.000 0.988 215 T CB 1.434 70.320 68.868 0.031 0.000 1.043 215 T HN 0.486 nan 8.240 nan 0.000 0.461 216 V N 1.432 121.345 119.914 -0.001 0.000 2.638 216 V HA 0.901 5.021 4.120 -0.001 0.000 0.306 216 V C -0.827 175.281 176.094 0.024 0.000 1.052 216 V CA -0.429 61.872 62.300 0.001 0.000 0.885 216 V CB 1.070 32.895 31.823 0.002 0.000 0.999 216 V HN 1.544 nan 8.190 nan 0.000 0.424 217 A N 4.346 127.176 122.820 0.018 0.000 2.435 217 A HA 0.867 5.186 4.320 -0.001 0.000 0.304 217 A C -0.119 177.489 177.584 0.040 0.000 1.064 217 A CA -0.571 51.496 52.037 0.050 0.000 0.727 217 A CB 1.994 21.011 19.000 0.028 0.000 1.284 217 A HN 0.959 nan 8.150 nan 0.000 0.415 218 S N 0.754 116.511 115.700 0.095 0.000 2.576 218 S HA 0.213 4.683 4.470 -0.001 0.000 0.276 218 S C 0.136 174.775 174.600 0.065 0.000 1.339 218 S CA -0.228 58.030 58.200 0.097 0.000 1.039 218 S CB 0.410 63.729 63.200 0.197 0.000 0.902 218 S HN 0.662 nan 8.310 nan 0.000 0.516 219 E N 0.739 120.959 120.200 0.033 0.000 2.366 219 E HA 0.518 4.867 4.350 -0.001 0.000 0.266 219 E C 0.482 177.110 176.600 0.046 0.000 1.051 219 E CA -0.053 56.359 56.400 0.019 0.000 0.884 219 E CB 0.873 30.570 29.700 -0.004 0.000 1.006 219 E HN 0.823 nan 8.360 nan 0.000 0.417 220 G N 2.462 111.287 108.800 0.041 0.000 2.355 220 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.619 220 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.619 220 G C -0.469 174.471 174.900 0.067 0.000 1.337 220 G CA -0.585 44.550 45.100 0.059 0.000 0.993 220 G HN 0.575 nan 8.290 nan 0.000 0.599 221 D N -0.949 119.493 120.400 0.069 0.000 2.310 221 D HA -0.007 4.633 4.640 -0.001 0.000 0.212 221 D C 1.602 177.962 176.300 0.099 0.000 0.965 221 D CA 1.676 55.706 54.000 0.050 0.000 0.879 221 D CB 0.092 40.903 40.800 0.018 0.000 0.921 221 D HN 0.407 nan 8.370 nan 0.000 0.510 222 Y N 1.069 121.404 120.300 0.057 0.000 2.163 222 Y HA 0.089 4.638 4.550 -0.001 0.000 0.288 222 Y C 2.412 178.398 175.900 0.143 0.000 1.112 222 Y CA 1.708 59.878 58.100 0.117 0.000 1.104 222 Y CB -0.686 37.881 38.460 0.179 0.000 1.016 222 Y HN -0.065 nan 8.280 nan 0.000 0.497 223 G N -0.050 108.791 108.800 0.069 0.000 2.421 223 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.216 223 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.216 223 G C 1.448 176.269 174.900 -0.132 0.000 1.171 223 G CA 0.998 46.086 45.100 -0.019 0.000 0.775 223 G HN 0.518 nan 8.290 nan 0.000 0.543 224 E N 0.091 120.244 120.200 -0.078 0.000 2.031 224 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 224 E C 2.920 179.420 176.600 -0.166 0.000 0.994 224 E CA 1.699 58.040 56.400 -0.097 0.000 0.800 224 E CB -0.426 29.246 29.700 -0.047 0.000 0.752 224 E HN 0.568 nan 8.360 nan 0.000 0.447 225 T N -1.309 113.144 114.554 -0.168 0.000 2.867 225 T HA -0.062 4.288 4.350 -0.001 0.000 0.268 225 T C 2.051 176.535 174.700 -0.359 0.000 1.057 225 T CA 1.105 63.091 62.100 -0.191 0.000 1.136 225 T CB -0.535 68.259 68.868 -0.123 0.000 0.874 225 T HN 0.204 nan 8.240 nan 0.000 0.466 226 G N 1.489 109.920 108.800 -0.614 0.000 2.404 226 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.215 226 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.215 226 G C 1.490 175.635 174.900 -1.260 0.000 1.174 226 G CA 0.560 44.823 45.100 -1.395 0.000 0.780 226 G HN 0.421 nan 8.290 nan 0.000 0.537 227 I N 1.161 121.294 120.570 -0.728 0.000 2.394 227 I HA -0.035 4.135 4.170 -0.001 0.000 0.251 227 I C 2.505 178.544 176.117 -0.129 0.000 1.136 227 I CA 0.935 62.064 61.300 -0.284 0.000 1.425 227 I CB -0.694 37.243 38.000 -0.104 0.000 1.079 227 I HN 0.327 nan 8.210 nan 0.000 0.425 228 E N 0.422 120.517 120.200 -0.176 0.000 2.051 228 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 228 E C 2.273 178.805 176.600 -0.114 0.000 0.991 228 E CA 1.384 57.718 56.400 -0.110 0.000 0.799 228 E CB -0.090 29.546 29.700 -0.105 0.000 0.748 228 E HN 0.490 nan 8.360 nan 0.000 0.449 229 A N 1.027 123.746 122.820 -0.168 0.000 1.908 229 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 229 A C 1.987 179.496 177.584 -0.126 0.000 1.181 229 A CA 1.333 53.282 52.037 -0.147 0.000 0.627 229 A CB -0.781 18.110 19.000 -0.182 0.000 0.818 229 A HN 0.365 nan 8.150 nan 0.000 0.445 230 F N 0.971 120.784 119.950 -0.228 0.000 2.075 230 F HA -0.172 4.354 4.527 -0.001 0.000 0.297 230 F C 2.129 177.874 175.800 -0.091 0.000 1.113 230 F CA 2.254 60.171 58.000 -0.138 0.000 1.218 230 F CB -0.590 38.362 39.000 -0.081 0.000 0.984 230 F HN 0.380 nan 8.300 nan 0.000 0.472 231 E N -0.061 120.033 120.200 -0.176 0.000 2.086 231 E HA -0.333 4.017 4.350 -0.001 0.000 0.200 231 E C 2.205 178.648 176.600 -0.262 0.000 1.012 231 E CA 2.075 58.336 56.400 -0.231 0.000 0.812 231 E CB -0.356 29.309 29.700 -0.058 0.000 0.743 231 E HN 0.627 nan 8.360 nan 0.000 0.453 232 Q N 0.224 119.911 119.800 -0.189 0.000 2.061 232 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 232 Q C 2.160 178.044 176.000 -0.193 0.000 0.984 232 Q CA 1.116 56.828 55.803 -0.151 0.000 0.846 232 Q CB -0.031 28.645 28.738 -0.104 0.000 0.902 232 Q HN 0.208 nan 8.270 nan 0.000 0.421 233 E N 0.500 120.547 120.200 -0.256 0.000 2.153 233 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 233 E C 1.893 178.316 176.600 -0.295 0.000 0.988 233 E CA 1.061 57.308 56.400 -0.255 0.000 0.811 233 E CB -0.231 29.311 29.700 -0.265 0.000 0.746 233 E HN 0.366 nan 8.360 nan 0.000 0.466 234 A N 1.689 124.221 122.820 -0.480 0.000 1.845 234 A HA -0.198 4.121 4.320 -0.001 0.000 0.215 234 A C 2.221 179.685 177.584 -0.200 0.000 1.195 234 A CA 1.510 53.288 52.037 -0.433 0.000 0.616 234 A CB -0.515 18.099 19.000 -0.643 0.000 0.832 234 A HN 0.118 nan 8.150 nan 0.000 0.443 235 R N -0.445 119.954 120.500 -0.169 0.000 2.115 235 R HA -0.177 4.162 4.340 -0.001 0.000 0.239 235 R C 2.056 178.317 176.300 -0.065 0.000 1.133 235 R CA 1.860 57.907 56.100 -0.088 0.000 0.935 235 R CB -0.816 29.438 30.300 -0.076 0.000 0.853 235 R HN 0.547 nan 8.270 nan 0.000 0.433 236 L N 0.094 121.271 121.223 -0.076 0.000 2.263 236 L HA -0.194 4.145 4.340 -0.001 0.000 0.216 236 L C 1.714 178.562 176.870 -0.036 0.000 1.111 236 L CA 1.379 56.189 54.840 -0.050 0.000 0.773 236 L CB -0.293 41.734 42.059 -0.054 0.000 0.906 236 L HN 0.182 nan 8.230 nan 0.000 0.439 237 R N -0.344 120.129 120.500 -0.044 0.000 2.468 237 R HA 0.155 4.495 4.340 -0.001 0.000 0.280 237 R C -0.008 176.294 176.300 0.003 0.000 0.963 237 R CA -0.167 55.923 56.100 -0.017 0.000 1.083 237 R CB 0.246 30.538 30.300 -0.014 0.000 1.200 237 R HN 0.207 nan 8.270 nan 0.000 0.541 238 N N 0.889 119.589 118.700 -0.001 0.000 2.754 238 N HA -0.192 4.548 4.740 -0.001 0.000 0.248 238 N C -0.876 174.668 175.510 0.057 0.000 1.093 238 N CA 0.989 54.055 53.050 0.026 0.000 0.699 238 N CB -1.101 37.406 38.487 0.033 0.000 1.016 238 N HN 0.314 nan 8.380 nan 0.000 0.552 239 I N 0.548 121.142 120.570 0.039 0.000 2.354 239 I HA 0.264 4.433 4.170 -0.001 0.000 0.292 239 I C 0.661 176.824 176.117 0.077 0.000 0.989 239 I CA -0.566 60.784 61.300 0.084 0.000 1.188 239 I CB 1.579 39.622 38.000 0.071 0.000 1.342 239 I HN 0.008 nan 8.210 nan 0.000 0.457 240 c N 6.456 125.146 118.600 0.149 0.000 2.365 240 c HA 0.533 5.102 4.570 -0.001 0.000 0.349 240 c C 0.351 174.515 174.090 0.124 0.000 1.191 240 c CA -0.646 55.772 56.329 0.149 0.000 2.114 240 c CB 0.971 43.616 42.510 0.224 0.000 2.367 240 c HN 0.545 nan 8.230 nan 0.000 0.530 241 I N 2.654 123.268 120.570 0.074 0.000 2.330 241 I HA 0.227 4.396 4.170 -0.001 0.000 0.286 241 I C 1.234 177.317 176.117 -0.057 0.000 1.025 241 I CA -0.087 61.220 61.300 0.012 0.000 1.197 241 I CB 1.206 39.234 38.000 0.046 0.000 1.358 241 I HN 0.927 nan 8.210 nan 0.000 0.467 242 A N 4.633 127.278 122.820 -0.291 0.000 1.865 242 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 242 A C 1.188 178.702 177.584 -0.118 0.000 1.191 242 A CA 1.798 53.615 52.037 -0.367 0.000 0.623 242 A CB -0.065 18.461 19.000 -0.791 0.000 0.826 242 A HN 0.600 nan 8.150 nan 0.000 0.444 243 T N -2.197 112.290 114.554 -0.112 0.000 3.105 243 T HA 0.532 4.881 4.350 -0.001 0.000 0.321 243 T C -1.478 173.199 174.700 -0.040 0.000 1.135 243 T CA 0.114 62.183 62.100 -0.051 0.000 1.053 243 T CB 1.308 70.151 68.868 -0.043 0.000 1.133 243 T HN 0.924 nan 8.240 nan 0.000 0.463 244 A N 4.401 127.210 122.820 -0.018 0.000 2.341 244 A HA 0.715 5.034 4.320 -0.001 0.000 0.326 244 A C 0.043 177.616 177.584 -0.019 0.000 1.402 244 A CA -0.550 51.482 52.037 -0.009 0.000 0.957 244 A CB 0.320 19.324 19.000 0.006 0.000 1.151 244 A HN 0.691 nan 8.150 nan 0.000 0.533 245 E N 1.567 121.750 120.200 -0.028 0.000 2.250 245 E HA 0.568 4.918 4.350 -0.001 0.000 0.265 245 E C -0.401 176.172 176.600 -0.045 0.000 1.033 245 E CA -0.459 55.917 56.400 -0.041 0.000 0.888 245 E CB 1.815 31.485 29.700 -0.051 0.000 1.151 245 E HN 0.699 nan 8.360 nan 0.000 0.412 246 K N -1.416 118.943 120.400 -0.068 0.000 2.571 246 K HA 0.446 4.766 4.320 -0.001 0.000 0.252 246 K C -0.716 175.807 176.600 -0.128 0.000 0.956 246 K CA -0.781 55.462 56.287 -0.074 0.000 0.822 246 K CB 1.139 33.612 32.500 -0.046 0.000 1.286 246 K HN 0.265 nan 8.250 nan 0.000 0.439 247 V N -0.519 119.290 119.914 -0.175 0.000 2.966 247 V HA 0.966 5.086 4.120 -0.001 0.000 0.317 247 V C 0.232 176.241 176.094 -0.142 0.000 1.070 247 V CA 0.246 62.374 62.300 -0.287 0.000 1.008 247 V CB 1.186 32.625 31.823 -0.640 0.000 1.070 247 V HN 1.065 nan 8.190 nan 0.000 0.457 248 G N 1.407 110.136 108.800 -0.117 0.000 2.894 248 G HA2 0.378 4.337 3.960 -0.001 0.000 0.164 248 G HA3 0.378 4.337 3.960 -0.001 0.000 0.164 248 G C -0.768 174.126 174.900 -0.011 0.000 1.180 248 G CA -1.284 43.793 45.100 -0.038 0.000 0.997 248 G HN 0.751 nan 8.290 nan 0.000 0.572 249 R N 1.084 121.576 120.500 -0.013 0.000 2.585 249 R HA 0.305 4.645 4.340 -0.001 0.000 0.275 249 R C 1.002 177.302 176.300 -0.001 0.000 1.018 249 R CA 1.107 57.202 56.100 -0.009 0.000 1.072 249 R CB 0.439 30.732 30.300 -0.012 0.000 0.953 249 R HN 1.266 nan 8.270 nan 0.000 0.419 250 S N 0.374 116.076 115.700 0.003 0.000 3.462 250 S HA -0.228 4.241 4.470 -0.001 0.000 0.370 250 S C -0.379 174.239 174.600 0.028 0.000 1.028 250 S CA 0.892 59.098 58.200 0.011 0.000 1.119 250 S CB -1.709 61.493 63.200 0.003 0.000 0.906 250 S HN 0.733 nan 8.310 nan 0.000 0.471 251 N N 0.842 119.577 118.700 0.059 0.000 2.499 251 N HA 0.729 5.468 4.740 -0.001 0.000 0.281 251 N C 0.151 175.760 175.510 0.164 0.000 1.098 251 N CA -0.303 52.804 53.050 0.095 0.000 0.979 251 N CB 0.625 39.157 38.487 0.074 0.000 1.121 251 N HN 0.447 nan 8.380 nan 0.000 0.466 252 I N 0.257 120.907 120.570 0.134 0.000 3.474 252 I HA 0.407 4.576 4.170 -0.001 0.000 0.294 252 I C 1.838 178.059 176.117 0.174 0.000 1.185 252 I CA -0.799 60.567 61.300 0.110 0.000 1.003 252 I CB 0.581 38.612 38.000 0.052 0.000 1.327 252 I HN 0.355 nan 8.210 nan 0.000 0.541 253 R N 0.733 121.285 120.500 0.086 0.000 2.143 253 R HA -0.235 4.105 4.340 -0.001 0.000 0.239 253 R C 1.882 178.262 176.300 0.133 0.000 1.126 253 R CA 2.159 58.311 56.100 0.086 0.000 0.927 253 R CB -0.592 29.724 30.300 0.028 0.000 0.860 253 R HN 0.487 nan 8.270 nan 0.000 0.433 254 K N 0.134 120.584 120.400 0.082 0.000 2.107 254 K HA -0.196 4.123 4.320 -0.001 0.000 0.211 254 K C 2.262 178.898 176.600 0.061 0.000 1.049 254 K CA 2.048 58.373 56.287 0.063 0.000 0.927 254 K CB -0.211 32.312 32.500 0.038 0.000 0.714 254 K HN 0.129 nan 8.250 nan 0.000 0.452 255 S N 0.068 115.807 115.700 0.064 0.000 2.368 255 S HA -0.137 4.333 4.470 -0.001 0.000 0.225 255 S C 1.802 176.355 174.600 -0.078 0.000 1.030 255 S CA 1.280 59.465 58.200 -0.025 0.000 0.999 255 S CB -0.270 62.888 63.200 -0.070 0.000 0.844 255 S HN 0.291 nan 8.310 nan 0.000 0.459 256 Y N 1.854 122.145 120.300 -0.015 0.000 2.243 256 Y HA -0.012 4.537 4.550 -0.001 0.000 0.293 256 Y C 2.396 178.295 175.900 -0.001 0.000 1.124 256 Y CA 0.673 58.762 58.100 -0.018 0.000 1.159 256 Y CB -0.397 38.041 38.460 -0.036 0.000 1.008 256 Y HN 0.174 nan 8.280 nan 0.000 0.527 257 D N -0.668 119.830 120.400 0.164 0.000 2.133 257 D HA -0.212 4.427 4.640 -0.001 0.000 0.195 257 D C 2.271 178.617 176.300 0.078 0.000 0.997 257 D CA 1.750 55.814 54.000 0.107 0.000 0.840 257 D CB -0.410 40.438 40.800 0.079 0.000 0.947 257 D HN 0.243 nan 8.370 nan 0.000 0.452 258 S N -0.023 115.707 115.700 0.051 0.000 2.399 258 S HA -0.108 4.362 4.470 -0.001 0.000 0.231 258 S C 2.105 176.715 174.600 0.016 0.000 1.022 258 S CA 0.685 58.900 58.200 0.025 0.000 0.983 258 S CB -0.054 63.148 63.200 0.003 0.000 0.803 258 S HN 0.032 nan 8.310 nan 0.000 0.480 259 V N 2.133 122.050 119.914 0.004 0.000 2.453 259 V HA -0.072 4.048 4.120 -0.001 0.000 0.247 259 V C 2.360 178.473 176.094 0.032 0.000 1.048 259 V CA 1.152 63.445 62.300 -0.011 0.000 1.049 259 V CB -0.498 31.291 31.823 -0.057 0.000 0.672 259 V HN 0.480 nan 8.190 nan 0.000 0.457 260 I N 0.142 120.760 120.570 0.081 0.000 2.226 260 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 260 I C 2.644 178.849 176.117 0.147 0.000 1.100 260 I CA 1.587 62.969 61.300 0.138 0.000 1.374 260 I CB -1.222 36.889 38.000 0.185 0.000 1.057 260 I HN 0.325 nan 8.210 nan 0.000 0.413 261 R N 0.710 121.272 120.500 0.104 0.000 2.083 261 R HA -0.182 4.157 4.340 -0.001 0.000 0.237 261 R C 2.077 178.425 176.300 0.080 0.000 1.137 261 R CA 1.448 57.602 56.100 0.089 0.000 0.951 261 R CB -0.290 30.046 30.300 0.060 0.000 0.851 261 R HN 0.518 nan 8.270 nan 0.000 0.434 262 E N 0.644 120.877 120.200 0.054 0.000 2.153 262 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 262 E C 2.123 178.749 176.600 0.043 0.000 0.988 262 E CA 0.820 57.242 56.400 0.036 0.000 0.811 262 E CB -0.074 29.632 29.700 0.010 0.000 0.746 262 E HN 0.368 nan 8.360 nan 0.000 0.466 263 L N 0.569 121.824 121.223 0.054 0.000 2.109 263 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 263 L C 2.438 179.446 176.870 0.230 0.000 1.086 263 L CA 0.693 55.562 54.840 0.049 0.000 0.760 263 L CB -0.270 41.685 42.059 -0.173 0.000 0.910 263 L HN 0.146 nan 8.230 nan 0.000 0.437 264 L N -0.671 120.711 121.223 0.264 0.000 2.201 264 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 264 L C 2.171 179.103 176.870 0.103 0.000 1.105 264 L CA 0.925 55.886 54.840 0.202 0.000 0.775 264 L CB -0.393 41.757 42.059 0.153 0.000 0.913 264 L HN 0.354 nan 8.230 nan 0.000 0.440 265 Q N 0.170 120.021 119.800 0.085 0.000 2.515 265 Q HA -0.027 4.313 4.340 -0.001 0.000 0.214 265 Q C 0.016 176.051 176.000 0.058 0.000 0.971 265 Q CA 0.540 56.377 55.803 0.056 0.000 0.952 265 Q CB 0.250 29.014 28.738 0.043 0.000 0.999 265 Q HN 0.195 nan 8.270 nan 0.000 0.524 266 K N 0.494 120.938 120.400 0.072 0.000 3.084 266 K HA 0.168 4.488 4.320 -0.001 0.000 0.172 266 K C -2.130 174.525 176.600 0.092 0.000 1.078 266 K CA -1.458 54.876 56.287 0.079 0.000 0.875 266 K CB 1.121 33.627 32.500 0.009 0.000 1.064 266 K HN -0.051 nan 8.250 nan 0.000 0.597 267 P HA -0.230 nan 4.420 nan 0.000 0.217 267 P C 0.749 178.074 177.300 0.042 0.000 1.151 267 P CA 1.335 64.451 63.100 0.026 0.000 0.849 267 P CB 0.363 32.063 31.700 0.001 0.000 0.787 268 N N 0.416 119.186 118.700 0.117 0.000 2.223 268 N HA -0.061 4.679 4.740 -0.001 0.000 0.185 268 N C 0.989 176.631 175.510 0.220 0.000 1.016 268 N CA 0.904 54.050 53.050 0.160 0.000 0.863 268 N CB -0.642 37.945 38.487 0.166 0.000 0.983 268 N HN 0.150 nan 8.380 nan 0.000 0.429 269 A N 1.019 123.935 122.820 0.161 0.000 2.671 269 A HA 0.218 4.538 4.320 -0.001 0.000 0.306 269 A C 1.248 178.824 177.584 -0.013 0.000 1.473 269 A CA -0.175 51.835 52.037 -0.045 0.000 1.155 269 A CB 0.007 18.797 19.000 -0.349 0.000 1.123 269 A HN 0.014 nan 8.150 nan 0.000 0.545 270 R N 1.604 122.073 120.500 -0.052 0.000 2.280 270 R HA 0.162 4.502 4.340 -0.001 0.000 0.195 270 R C -0.131 176.055 176.300 -0.192 0.000 0.935 270 R CA 0.660 56.699 56.100 -0.102 0.000 1.033 270 R CB 0.122 30.332 30.300 -0.149 0.000 0.964 270 R HN 0.414 nan 8.270 nan 0.000 0.489 271 V N 1.279 121.016 119.914 -0.295 0.000 2.370 271 V HA 0.349 4.469 4.120 -0.001 0.000 0.283 271 V C -0.763 175.155 176.094 -0.293 0.000 1.023 271 V CA -0.798 61.234 62.300 -0.447 0.000 0.857 271 V CB 1.821 33.166 31.823 -0.797 0.000 0.985 271 V HN -0.190 nan 8.190 nan 0.000 0.443 272 V N 6.160 125.892 119.914 -0.303 0.000 2.378 272 V HA 0.380 4.500 4.120 -0.001 0.000 0.288 272 V C -0.005 176.059 176.094 -0.051 0.000 1.016 272 V CA -0.700 61.482 62.300 -0.198 0.000 0.840 272 V CB 1.862 33.489 31.823 -0.326 0.000 0.994 272 V HN 0.576 nan 8.190 nan 0.000 0.431 273 V N 6.900 126.754 119.914 -0.100 0.000 2.488 273 V HA 0.342 4.462 4.120 -0.001 0.000 0.277 273 V C 0.038 176.072 176.094 -0.101 0.000 1.046 273 V CA -0.102 62.084 62.300 -0.190 0.000 0.986 273 V CB 1.145 32.639 31.823 -0.549 0.000 0.989 273 V HN 0.596 nan 8.190 nan 0.000 0.475 274 L N 5.572 126.760 121.223 -0.058 0.000 2.333 274 L HA 0.545 4.885 4.340 -0.001 0.000 0.280 274 L C -0.866 175.970 176.870 -0.057 0.000 1.004 274 L CA -0.278 54.567 54.840 0.008 0.000 0.820 274 L CB 1.742 43.860 42.059 0.100 0.000 1.247 274 L HN 0.545 nan 8.230 nan 0.000 0.416 275 F N 4.581 124.488 119.950 -0.073 0.000 2.660 275 F HA 0.505 5.031 4.527 -0.000 0.000 0.352 275 F C -0.248 175.545 175.800 -0.012 0.000 1.257 275 F CA -0.295 57.640 58.000 -0.108 0.000 1.200 275 F CB 0.665 39.530 39.000 -0.225 0.000 1.473 275 F HN 0.355 nan 8.300 nan 0.000 0.561 276 M N 1.768 121.492 119.600 0.206 0.000 2.591 276 M HA 0.515 4.995 4.480 -0.001 0.000 0.306 276 M C -0.098 176.441 176.300 0.400 0.000 1.190 276 M CA -1.022 54.453 55.300 0.293 0.000 0.889 276 M CB 2.557 35.257 32.600 0.165 0.000 1.728 276 M HN 0.179 nan 8.290 nan 0.000 0.458 277 R N 0.195 120.914 120.500 0.366 0.000 2.811 277 R HA 0.043 4.382 4.340 -0.001 0.000 0.265 277 R C 1.284 177.683 176.300 0.165 0.000 1.026 277 R CA 0.150 56.419 56.100 0.283 0.000 1.142 277 R CB 0.397 30.875 30.300 0.296 0.000 1.027 277 R HN 0.832 nan 8.270 nan 0.000 0.465 278 S N 1.041 116.821 115.700 0.134 0.000 2.353 278 S HA -0.198 4.271 4.470 -0.001 0.000 0.222 278 S C 1.377 175.972 174.600 -0.008 0.000 1.035 278 S CA 2.067 60.283 58.200 0.028 0.000 1.025 278 S CB -0.291 62.915 63.200 0.010 0.000 0.902 278 S HN 0.767 nan 8.310 nan 0.000 0.440 279 D N 1.109 121.543 120.400 0.057 0.000 2.104 279 D HA -0.146 4.494 4.640 -0.001 0.000 0.194 279 D C 1.382 177.640 176.300 -0.071 0.000 0.994 279 D CA 1.646 55.628 54.000 -0.030 0.000 0.830 279 D CB -1.130 39.649 40.800 -0.034 0.000 0.959 279 D HN 0.384 nan 8.370 nan 0.000 0.452 280 D N 0.260 120.667 120.400 0.012 0.000 2.144 280 D HA -0.080 4.559 4.640 -0.001 0.000 0.199 280 D C 2.122 178.417 176.300 -0.009 0.000 0.984 280 D CA 1.139 55.191 54.000 0.086 0.000 0.834 280 D CB -0.399 40.515 40.800 0.191 0.000 0.955 280 D HN 0.168 nan 8.370 nan 0.000 0.465 281 S N 0.467 116.118 115.700 -0.083 0.000 2.359 281 S HA -0.214 4.255 4.470 -0.001 0.000 0.224 281 S C 1.926 176.263 174.600 -0.438 0.000 1.035 281 S CA 1.304 59.355 58.200 -0.248 0.000 1.018 281 S CB -0.092 62.931 63.200 -0.294 0.000 0.876 281 S HN 0.126 nan 8.310 nan 0.000 0.448 282 R N 1.632 121.889 120.500 -0.405 0.000 2.091 282 R HA -0.085 4.254 4.340 -0.001 0.000 0.238 282 R C 2.097 178.152 176.300 -0.407 0.000 1.136 282 R CA 1.525 57.374 56.100 -0.419 0.000 0.959 282 R CB -0.442 29.674 30.300 -0.308 0.000 0.856 282 R HN 0.284 nan 8.270 nan 0.000 0.437 283 E N 0.339 120.272 120.200 -0.445 0.000 2.051 283 E HA -0.203 4.146 4.350 -0.001 0.000 0.192 283 E C 1.928 178.163 176.600 -0.608 0.000 0.991 283 E CA 1.142 57.125 56.400 -0.696 0.000 0.799 283 E CB -0.417 28.498 29.700 -1.308 0.000 0.748 283 E HN 0.338 nan 8.360 nan 0.000 0.449 284 L N 0.973 121.986 121.223 -0.350 0.000 2.083 284 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 284 L C 2.200 178.931 176.870 -0.230 0.000 1.083 284 L CA 1.062 55.860 54.840 -0.071 0.000 0.752 284 L CB -0.321 41.733 42.059 -0.010 0.000 0.899 284 L HN 0.110 nan 8.230 nan 0.000 0.433 285 I N 0.262 120.593 120.570 -0.398 0.000 2.252 285 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 285 I C 2.867 178.851 176.117 -0.221 0.000 1.102 285 I CA 1.348 62.414 61.300 -0.390 0.000 1.385 285 I CB -1.573 36.091 38.000 -0.559 0.000 1.064 285 I HN 0.188 nan 8.210 nan 0.000 0.414 286 A N 0.823 123.498 122.820 -0.242 0.000 1.933 286 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 286 A C 2.572 180.099 177.584 -0.095 0.000 1.175 286 A CA 1.864 53.797 52.037 -0.173 0.000 0.628 286 A CB -0.696 18.181 19.000 -0.205 0.000 0.814 286 A HN 0.402 nan 8.150 nan 0.000 0.444 287 A N -0.076 122.695 122.820 -0.083 0.000 1.902 287 A HA 0.161 4.481 4.320 -0.001 0.000 0.217 287 A C 2.507 180.136 177.584 0.076 0.000 1.181 287 A CA 2.065 54.109 52.037 0.012 0.000 0.623 287 A CB -1.032 18.013 19.000 0.075 0.000 0.818 287 A HN 1.070 nan 8.150 nan 0.000 0.443 288 A N 0.138 123.025 122.820 0.111 0.000 1.933 288 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 288 A C 1.935 179.618 177.584 0.165 0.000 1.175 288 A CA 2.098 54.273 52.037 0.230 0.000 0.628 288 A CB -0.756 18.491 19.000 0.411 0.000 0.814 288 A HN 0.621 nan 8.150 nan 0.000 0.444 289 N N -0.348 118.397 118.700 0.075 0.000 2.244 289 N HA -0.132 4.607 4.740 -0.001 0.000 0.183 289 N C 1.843 177.400 175.510 0.078 0.000 1.016 289 N CA 1.386 54.462 53.050 0.045 0.000 0.866 289 N CB -0.223 38.235 38.487 -0.049 0.000 0.980 289 N HN 0.507 nan 8.380 nan 0.000 0.430 290 R N -0.444 120.091 120.500 0.058 0.000 2.066 290 R HA -0.034 4.305 4.340 -0.001 0.000 0.232 290 R C 1.432 177.774 176.300 0.069 0.000 1.131 290 R CA 1.661 57.793 56.100 0.054 0.000 0.955 290 R CB -0.360 29.963 30.300 0.037 0.000 0.851 290 R HN 0.302 nan 8.270 nan 0.000 0.432 291 V N -1.700 118.266 119.914 0.086 0.000 3.249 291 V HA 0.188 4.308 4.120 -0.001 0.000 0.338 291 V C 0.177 176.327 176.094 0.094 0.000 1.363 291 V CA -0.161 62.189 62.300 0.083 0.000 1.205 291 V CB -1.011 30.865 31.823 0.088 0.000 1.164 291 V HN 0.403 nan 8.190 nan 0.000 0.458 292 N N 0.709 119.478 118.700 0.116 0.000 2.716 292 N HA -0.206 4.534 4.740 -0.001 0.000 0.250 292 N C 0.513 176.093 175.510 0.116 0.000 1.033 292 N CA 0.278 53.410 53.050 0.137 0.000 0.727 292 N CB -0.644 37.906 38.487 0.106 0.000 0.950 292 N HN 0.977 nan 8.380 nan 0.000 0.541 293 A N 0.255 123.170 122.820 0.157 0.000 2.371 293 A HA 0.562 4.881 4.320 -0.001 0.000 0.257 293 A C 0.177 177.833 177.584 0.121 0.000 1.089 293 A CA 0.213 52.330 52.037 0.134 0.000 0.794 293 A CB 0.864 20.095 19.000 0.385 0.000 1.029 293 A HN 0.245 nan 8.150 nan 0.000 0.488 294 S N 0.641 116.218 115.700 -0.205 0.000 2.733 294 S HA 0.709 5.178 4.470 -0.001 0.000 0.294 294 S C -1.285 172.990 174.600 -0.542 0.000 1.149 294 S CA -0.223 57.884 58.200 -0.156 0.000 1.034 294 S CB 0.368 63.524 63.200 -0.072 0.000 1.015 294 S HN 0.487 nan 8.310 nan 0.000 0.486 295 F N 0.215 119.915 119.950 -0.417 0.000 2.650 295 F HA 0.544 5.071 4.527 -0.001 0.000 0.320 295 F C 0.536 175.881 175.800 -0.758 0.000 1.091 295 F CA -0.997 56.605 58.000 -0.664 0.000 0.962 295 F CB 1.133 39.506 39.000 -1.045 0.000 1.363 295 F HN 0.182 nan 8.300 nan 0.000 0.482 296 T N 1.175 115.484 114.554 -0.408 0.000 2.728 296 T HA 0.235 4.585 4.350 -0.001 0.000 0.296 296 T C -1.026 173.436 174.700 -0.396 0.000 0.940 296 T CA -0.274 61.630 62.100 -0.327 0.000 1.013 296 T CB -0.123 68.562 68.868 -0.306 0.000 0.912 296 T HN 0.297 nan 8.240 nan 0.000 0.484 297 W N 2.401 123.673 121.300 -0.047 0.000 2.365 297 W HA 0.553 5.212 4.660 -0.001 0.000 0.316 297 W C -0.454 175.940 176.519 -0.209 0.000 1.164 297 W CA -0.917 56.361 57.345 -0.111 0.000 1.204 297 W CB 0.900 30.325 29.460 -0.058 0.000 1.213 297 W HN 0.224 nan 8.180 nan 0.000 0.539 298 V N 3.785 123.727 119.914 0.047 0.000 2.327 298 V HA 0.600 4.719 4.120 -0.001 0.000 0.272 298 V C 0.029 176.053 176.094 -0.115 0.000 1.019 298 V CA -0.898 61.371 62.300 -0.050 0.000 0.814 298 V CB 0.241 32.057 31.823 -0.012 0.000 1.040 298 V HN 0.642 nan 8.190 nan 0.000 0.440 299 A N 3.461 126.140 122.820 -0.234 0.000 2.320 299 A HA 0.920 5.239 4.320 -0.001 0.000 0.334 299 A C 0.477 177.899 177.584 -0.270 0.000 1.147 299 A CA -0.273 51.627 52.037 -0.228 0.000 0.820 299 A CB 1.459 20.341 19.000 -0.197 0.000 1.218 299 A HN 0.866 nan 8.150 nan 0.000 0.482 300 S N 0.391 115.880 115.700 -0.351 0.000 2.661 300 S HA 0.174 4.643 4.470 -0.001 0.000 0.265 300 S C 0.912 175.410 174.600 -0.170 0.000 1.225 300 S CA 0.238 58.167 58.200 -0.451 0.000 0.986 300 S CB 0.449 62.928 63.200 -1.202 0.000 1.008 300 S HN 0.834 nan 8.310 nan 0.000 0.565 301 D N 0.111 120.464 120.400 -0.078 0.000 2.271 301 D HA -0.126 4.513 4.640 -0.001 0.000 0.207 301 D C 1.773 178.077 176.300 0.006 0.000 0.983 301 D CA 1.392 55.398 54.000 0.010 0.000 0.878 301 D CB -1.143 39.700 40.800 0.071 0.000 0.920 301 D HN 0.690 nan 8.370 nan 0.000 0.479 302 G N 0.450 109.283 108.800 0.056 0.000 2.476 302 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.218 302 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.218 302 G C 1.312 176.253 174.900 0.069 0.000 1.164 302 G CA 0.928 46.032 45.100 0.006 0.000 0.768 302 G HN 0.393 nan 8.290 nan 0.000 0.560 303 W N 1.798 123.034 121.300 -0.106 0.000 2.452 303 W HA 0.230 4.889 4.660 -0.001 0.000 0.313 303 W C 1.660 178.069 176.519 -0.183 0.000 1.176 303 W CA 1.682 58.952 57.345 -0.125 0.000 1.350 303 W CB -0.754 28.636 29.460 -0.117 0.000 1.148 303 W HN 0.544 nan 8.180 nan 0.000 0.498 304 G N 0.920 109.793 108.800 0.122 0.000 2.574 304 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.286 304 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.286 304 G C 0.486 175.141 174.900 -0.407 0.000 1.212 304 G CA 1.411 46.439 45.100 -0.120 0.000 0.979 304 G HN 1.125 nan 8.290 nan 0.000 0.557 305 A N -0.120 122.321 122.820 -0.632 0.000 2.827 305 A HA 0.602 4.921 4.320 -0.001 0.000 0.300 305 A C 0.634 177.753 177.584 -0.775 0.000 1.237 305 A CA 0.479 51.764 52.037 -1.253 0.000 0.964 305 A CB 0.005 18.278 19.000 -1.212 0.000 1.143 305 A HN 0.547 nan 8.150 nan 0.000 0.554 306 Q N 0.423 120.017 119.800 -0.343 0.000 2.279 306 Q HA 0.211 4.550 4.340 -0.001 0.000 0.256 306 Q C 0.074 176.205 176.000 0.218 0.000 0.937 306 Q CA -0.223 55.548 55.803 -0.054 0.000 0.933 306 Q CB 1.169 29.879 28.738 -0.047 0.000 1.189 306 Q HN 0.562 nan 8.270 nan 0.000 0.417 307 E N 0.981 121.354 120.200 0.288 0.000 2.216 307 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 307 E C 1.769 178.456 176.600 0.144 0.000 0.988 307 E CA 1.126 57.748 56.400 0.370 0.000 0.834 307 E CB 0.162 30.090 29.700 0.380 0.000 0.772 307 E HN 0.673 nan 8.360 nan 0.000 0.479 308 S N 1.156 116.893 115.700 0.061 0.000 2.440 308 S HA -0.152 4.317 4.470 -0.001 0.000 0.238 308 S C 1.982 176.509 174.600 -0.122 0.000 1.010 308 S CA 0.714 58.898 58.200 -0.026 0.000 0.972 308 S CB -0.435 62.747 63.200 -0.031 0.000 0.774 308 S HN 0.196 nan 8.310 nan 0.000 0.501 309 I N 0.943 121.407 120.570 -0.175 0.000 2.353 309 I HA -0.049 4.121 4.170 -0.001 0.000 0.248 309 I C 1.918 177.784 176.117 -0.419 0.000 1.119 309 I CA 0.843 61.915 61.300 -0.380 0.000 1.417 309 I CB -0.086 37.515 38.000 -0.666 0.000 1.078 309 I HN 0.242 nan 8.210 nan 0.000 0.421 310 V N -0.007 119.733 119.914 -0.291 0.000 3.506 310 V HA -0.034 4.086 4.120 -0.001 0.000 0.263 310 V C 1.184 177.066 176.094 -0.354 0.000 1.203 310 V CA 0.081 62.198 62.300 -0.305 0.000 1.133 310 V CB -0.615 31.092 31.823 -0.194 0.000 0.802 310 V HN 0.274 nan 8.190 nan 0.000 0.459 311 K N 1.629 121.848 120.400 -0.302 0.000 2.473 311 K HA 0.133 4.452 4.320 -0.001 0.000 0.277 311 K C 1.186 177.666 176.600 -0.200 0.000 1.052 311 K CA 1.092 57.227 56.287 -0.253 0.000 1.114 311 K CB -0.229 32.206 32.500 -0.108 0.000 0.869 311 K HN 0.493 nan 8.250 nan 0.000 0.481 312 G N 2.631 111.327 108.800 -0.174 0.000 2.157 312 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.248 312 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.248 312 G C 0.078 174.903 174.900 -0.124 0.000 0.979 312 G CA 0.286 45.322 45.100 -0.107 0.000 0.650 312 G HN 0.608 nan 8.290 nan 0.000 0.529 313 S N -0.804 114.774 115.700 -0.203 0.000 3.029 313 S HA 0.241 4.711 4.470 -0.001 0.000 0.244 313 S C 0.971 175.373 174.600 -0.330 0.000 0.814 313 S CA 0.367 58.397 58.200 -0.283 0.000 1.148 313 S CB 0.405 63.458 63.200 -0.245 0.000 1.253 313 S HN 0.309 nan 8.310 nan 0.000 0.555 314 E N 1.894 121.936 120.200 -0.263 0.000 2.130 314 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 314 E C 1.554 178.145 176.600 -0.015 0.000 0.998 314 E CA 2.066 58.348 56.400 -0.197 0.000 0.806 314 E CB -0.428 29.118 29.700 -0.257 0.000 0.738 314 E HN 0.907 nan 8.360 nan 0.000 0.459 315 H N -1.573 117.528 119.070 0.051 0.000 2.495 315 H HA 0.062 4.617 4.556 -0.001 0.000 0.287 315 H C 1.622 177.052 175.328 0.170 0.000 1.033 315 H CA 0.978 57.080 56.048 0.091 0.000 1.307 315 H CB -0.254 29.526 29.762 0.029 0.000 1.401 315 H HN 0.017 nan 8.280 nan 0.000 0.555 316 V N 0.413 120.186 119.914 -0.237 0.000 2.649 316 V HA 0.063 4.182 4.120 -0.001 0.000 0.248 316 V C 2.369 178.669 176.094 0.345 0.000 1.054 316 V CA 1.307 63.640 62.300 0.055 0.000 1.073 316 V CB -0.370 31.425 31.823 -0.046 0.000 0.699 316 V HN 0.736 nan 8.190 nan 0.000 0.463 317 A N -1.655 121.334 122.820 0.281 0.000 2.308 317 A HA 0.182 4.501 4.320 -0.001 0.000 0.217 317 A C 0.813 178.625 177.584 0.379 0.000 1.216 317 A CA -0.326 51.990 52.037 0.465 0.000 0.864 317 A CB -0.371 18.857 19.000 0.379 0.000 0.902 317 A HN 0.479 nan 8.150 nan 0.000 0.499 318 Y N 0.803 121.215 120.300 0.188 0.000 2.805 318 Y HA 0.262 4.812 4.550 -0.001 0.000 0.337 318 Y C 1.453 177.443 175.900 0.150 0.000 1.252 318 Y CA 1.234 59.418 58.100 0.139 0.000 1.515 318 Y CB 0.264 38.804 38.460 0.133 0.000 1.305 318 Y HN 0.551 nan 8.280 nan 0.000 0.600 319 G N 2.925 111.309 108.800 -0.693 0.000 2.184 319 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.264 319 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.264 319 G C 0.326 175.125 174.900 -0.169 0.000 0.975 319 G CA 0.146 44.956 45.100 -0.484 0.000 0.642 319 G HN 1.364 nan 8.290 nan 0.000 0.536 320 A N -0.196 122.597 122.820 -0.047 0.000 2.483 320 A HA 0.593 4.913 4.320 -0.001 0.000 0.238 320 A C 0.467 177.992 177.584 -0.098 0.000 1.070 320 A CA 0.473 52.510 52.037 -0.002 0.000 0.770 320 A CB 0.287 19.305 19.000 0.029 0.000 1.008 320 A HN 0.826 nan 8.150 nan 0.000 0.497 321 I N 1.950 122.466 120.570 -0.090 0.000 2.362 321 I HA 0.388 4.558 4.170 -0.001 0.000 0.289 321 I C 0.449 176.480 176.117 -0.144 0.000 0.994 321 I CA -0.117 61.148 61.300 -0.058 0.000 1.158 321 I CB 1.979 40.018 38.000 0.065 0.000 1.315 321 I HN 0.874 nan 8.210 nan 0.000 0.451 322 T N 4.696 119.182 114.554 -0.113 0.000 2.916 322 T HA 0.743 5.092 4.350 -0.001 0.000 0.292 322 T C -0.664 174.041 174.700 0.009 0.000 1.064 322 T CA -0.834 61.143 62.100 -0.205 0.000 1.011 322 T CB 2.020 70.622 68.868 -0.444 0.000 1.152 322 T HN 0.324 nan 8.240 nan 0.000 0.510 323 L N 0.698 121.907 121.223 -0.023 0.000 2.341 323 L HA 0.901 5.241 4.340 -0.001 0.000 0.267 323 L C -0.640 176.318 176.870 0.147 0.000 1.009 323 L CA -0.935 53.968 54.840 0.105 0.000 0.819 323 L CB 2.157 44.213 42.059 -0.006 0.000 1.323 323 L HN 0.851 nan 8.230 nan 0.000 0.425 324 E N 1.137 121.518 120.200 0.302 0.000 2.390 324 E HA 0.422 4.772 4.350 -0.001 0.000 0.280 324 E C -1.480 175.318 176.600 0.330 0.000 0.992 324 E CA -0.616 55.931 56.400 0.245 0.000 0.790 324 E CB 1.578 31.344 29.700 0.110 0.000 1.248 324 E HN 0.386 nan 8.360 nan 0.000 0.447 325 L N 1.791 123.143 121.223 0.214 0.000 2.483 325 L HA 0.392 4.732 4.340 -0.001 0.000 0.276 325 L C 0.498 177.496 176.870 0.212 0.000 1.213 325 L CA -0.133 54.763 54.840 0.093 0.000 0.843 325 L CB 0.374 42.397 42.059 -0.060 0.000 1.107 325 L HN 0.681 nan 8.230 nan 0.000 0.487 326 A N 3.028 125.935 122.820 0.144 0.000 2.451 326 A HA 0.468 4.788 4.320 -0.001 0.000 0.266 326 A C 0.286 177.964 177.584 0.158 0.000 1.119 326 A CA 0.044 52.162 52.037 0.135 0.000 0.786 326 A CB -0.072 18.981 19.000 0.088 0.000 1.061 326 A HN 0.796 nan 8.150 nan 0.000 0.503 327 S N 2.149 117.859 115.700 0.016 0.000 2.688 327 S HA 0.805 5.275 4.470 -0.001 0.000 0.275 327 S C -1.023 173.412 174.600 -0.275 0.000 1.175 327 S CA -0.926 57.235 58.200 -0.065 0.000 0.818 327 S CB 0.996 64.139 63.200 -0.095 0.000 1.157 327 S HN 0.773 nan 8.310 nan 0.000 0.482 328 H N 0.448 119.465 119.070 -0.088 0.000 2.806 328 H HA 0.662 5.217 4.556 -0.001 0.000 0.367 328 H C -2.777 172.517 175.328 -0.057 0.000 1.136 328 H CA -1.165 54.857 56.048 -0.044 0.000 1.178 328 H CB 1.396 31.136 29.762 -0.037 0.000 1.718 328 H HN 0.535 nan 8.280 nan 0.000 0.540 329 P HA -0.000 nan 4.420 nan 0.000 0.269 329 P C -0.412 176.931 177.300 0.072 0.000 1.209 329 P CA -0.249 62.878 63.100 0.046 0.000 0.776 329 P CB 0.988 32.715 31.700 0.046 0.000 0.876 330 V N 5.476 125.427 119.914 0.063 0.000 2.353 330 V HA 0.099 4.219 4.120 -0.001 0.000 0.264 330 V C 2.007 178.170 176.094 0.115 0.000 1.049 330 V CA -0.268 62.095 62.300 0.104 0.000 0.896 330 V CB 0.485 32.357 31.823 0.081 0.000 1.025 330 V HN 0.540 nan 8.190 nan 0.000 0.475 331 R N 2.699 123.269 120.500 0.117 0.000 2.083 331 R HA -0.134 4.205 4.340 -0.001 0.000 0.237 331 R C 1.968 178.299 176.300 0.052 0.000 1.137 331 R CA 1.578 57.736 56.100 0.097 0.000 0.951 331 R CB -0.103 30.257 30.300 0.101 0.000 0.851 331 R HN 0.700 nan 8.270 nan 0.000 0.434 332 Q N -0.829 118.995 119.800 0.039 0.000 2.297 332 Q HA -0.165 4.175 4.340 -0.001 0.000 0.208 332 Q C 1.766 177.585 176.000 -0.302 0.000 0.981 332 Q CA 1.003 56.787 55.803 -0.032 0.000 0.876 332 Q CB -0.154 28.611 28.738 0.044 0.000 0.921 332 Q HN 0.225 nan 8.270 nan 0.000 0.446 333 F N 1.704 121.309 119.950 -0.576 0.000 2.234 333 F HA -0.129 4.398 4.527 -0.001 0.000 0.296 333 F C 1.546 177.203 175.800 -0.238 0.000 1.089 333 F CA 1.043 58.570 58.000 -0.789 0.000 1.343 333 F CB 0.072 38.687 39.000 -0.641 0.000 1.040 333 F HN -0.010 nan 8.300 nan 0.000 0.498 334 D N 0.241 120.581 120.400 -0.101 0.000 2.123 334 D HA -0.218 4.421 4.640 -0.001 0.000 0.196 334 D C 2.371 178.592 176.300 -0.130 0.000 0.992 334 D CA 1.128 55.137 54.000 0.015 0.000 0.833 334 D CB -0.459 40.462 40.800 0.201 0.000 0.954 334 D HN 0.303 nan 8.370 nan 0.000 0.455 335 R N -0.255 120.183 120.500 -0.105 0.000 2.073 335 R HA -0.197 4.142 4.340 -0.001 0.000 0.234 335 R C 2.412 178.626 176.300 -0.143 0.000 1.134 335 R CA 1.091 57.142 56.100 -0.081 0.000 0.952 335 R CB -0.532 29.760 30.300 -0.014 0.000 0.850 335 R HN 0.224 nan 8.270 nan 0.000 0.433 336 Y N 0.332 120.438 120.300 -0.324 0.000 2.097 336 Y HA -0.276 4.274 4.550 -0.001 0.000 0.282 336 Y C 1.966 177.649 175.900 -0.361 0.000 1.152 336 Y CA 2.016 59.930 58.100 -0.310 0.000 1.136 336 Y CB -0.728 37.503 38.460 -0.382 0.000 0.975 336 Y HN 0.103 nan 8.280 nan 0.000 0.498 337 F N 1.287 120.717 119.950 -0.865 0.000 2.134 337 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 337 F C 2.273 177.717 175.800 -0.593 0.000 1.097 337 F CA 2.048 59.526 58.000 -0.871 0.000 1.264 337 F CB -0.558 37.796 39.000 -1.077 0.000 1.001 337 F HN 0.187 nan 8.300 nan 0.000 0.479 338 Q N -0.840 118.675 119.800 -0.474 0.000 2.369 338 Q HA -0.107 4.233 4.340 -0.001 0.000 0.206 338 Q C 2.154 178.009 176.000 -0.241 0.000 0.963 338 Q CA 1.216 56.816 55.803 -0.338 0.000 0.894 338 Q CB -0.247 28.387 28.738 -0.173 0.000 0.965 338 Q HN 0.479 nan 8.270 nan 0.000 0.475 339 S N -0.376 115.144 115.700 -0.299 0.000 2.562 339 S HA 0.079 4.549 4.470 -0.001 0.000 0.221 339 S C 0.712 175.146 174.600 -0.277 0.000 0.975 339 S CA -0.253 57.809 58.200 -0.228 0.000 0.918 339 S CB -0.039 63.033 63.200 -0.213 0.000 0.772 339 S HN 0.161 nan 8.310 nan 0.000 0.531 340 L N 3.678 124.659 121.223 -0.404 0.000 2.367 340 L HA 0.420 4.759 4.340 -0.001 0.000 0.275 340 L C 0.259 177.068 176.870 -0.101 0.000 1.129 340 L CA -0.329 54.250 54.840 -0.434 0.000 0.839 340 L CB 0.318 41.954 42.059 -0.705 0.000 1.133 340 L HN 0.546 nan 8.230 nan 0.000 0.453 341 N N 2.652 121.224 118.700 -0.214 0.000 2.708 341 N HA 0.332 5.072 4.740 -0.001 0.000 0.257 341 N C -2.687 172.563 175.510 -0.434 0.000 1.373 341 N CA -1.618 51.276 53.050 -0.260 0.000 0.843 341 N CB 2.177 40.547 38.487 -0.195 0.000 1.503 341 N HN 0.114 nan 8.380 nan 0.000 0.504 342 P HA -0.171 nan 4.420 nan 0.000 0.220 342 P C 0.575 177.343 177.300 -0.886 0.000 1.144 342 P CA 1.468 64.084 63.100 -0.808 0.000 0.800 342 P CB -0.100 30.892 31.700 -1.179 0.000 0.772 343 Y N 1.328 121.382 120.300 -0.410 0.000 2.314 343 Y HA -0.038 4.512 4.550 -0.001 0.000 0.294 343 Y C 2.191 177.828 175.900 -0.438 0.000 1.119 343 Y CA 1.156 59.042 58.100 -0.356 0.000 1.179 343 Y CB -1.279 37.040 38.460 -0.235 0.000 1.025 343 Y HN 0.119 nan 8.280 nan 0.000 0.541 344 N N -1.028 117.506 118.700 -0.276 0.000 2.236 344 N HA -0.019 4.721 4.740 -0.001 0.000 0.196 344 N C -0.187 175.105 175.510 -0.364 0.000 1.114 344 N CA 0.226 53.117 53.050 -0.265 0.000 0.859 344 N CB -0.127 38.254 38.487 -0.177 0.000 0.982 344 N HN 0.038 nan 8.380 nan 0.000 0.493 345 N N 0.345 118.728 118.700 -0.528 0.000 2.990 345 N HA 0.099 4.838 4.740 -0.001 0.000 0.288 345 N C -0.281 175.012 175.510 -0.362 0.000 1.624 345 N CA -0.286 52.457 53.050 -0.511 0.000 0.961 345 N CB -0.174 37.758 38.487 -0.924 0.000 1.259 345 N HN 0.153 nan 8.380 nan 0.000 0.489 346 H N 0.299 119.294 119.070 -0.126 0.000 2.535 346 H HA 0.062 4.617 4.556 -0.001 0.000 0.273 346 H C 1.497 176.797 175.328 -0.046 0.000 0.983 346 H CA 0.605 56.610 56.048 -0.072 0.000 1.238 346 H CB 0.519 30.247 29.762 -0.057 0.000 1.412 346 H HN 0.573 nan 8.280 nan 0.000 0.562 347 R N 0.680 121.217 120.500 0.061 0.000 2.280 347 R HA -0.036 4.304 4.340 -0.001 0.000 0.207 347 R C 0.307 176.650 176.300 0.072 0.000 1.043 347 R CA 0.519 56.654 56.100 0.058 0.000 1.006 347 R CB 0.002 30.335 30.300 0.055 0.000 0.885 347 R HN -0.073 nan 8.270 nan 0.000 0.467 348 N N 2.180 120.926 118.700 0.076 0.000 2.589 348 N HA 0.139 4.878 4.740 -0.001 0.000 0.232 348 N C -1.858 173.750 175.510 0.163 0.000 1.015 348 N CA -2.736 50.421 53.050 0.179 0.000 0.931 348 N CB 1.562 40.172 38.487 0.206 0.000 1.150 348 N HN -0.040 nan 8.380 nan 0.000 0.512 349 P HA -0.074 nan 4.420 nan 0.000 0.223 349 P C 0.615 177.819 177.300 -0.161 0.000 1.144 349 P CA 1.014 63.987 63.100 -0.212 0.000 0.783 349 P CB 0.124 31.511 31.700 -0.521 0.000 0.771 350 W N -2.383 119.036 121.300 0.199 0.000 3.211 350 W HA 0.164 4.824 4.660 -0.001 0.000 0.292 350 W C 1.706 178.395 176.519 0.284 0.000 1.268 350 W CA -0.494 56.977 57.345 0.209 0.000 1.702 350 W CB -0.861 28.710 29.460 0.185 0.000 1.092 350 W HN -0.107 nan 8.180 nan 0.000 0.643 351 F N 2.002 122.154 119.950 0.338 0.000 2.126 351 F HA -0.214 4.313 4.527 -0.001 0.000 0.299 351 F C 2.419 178.442 175.800 0.372 0.000 1.096 351 F CA 1.832 60.037 58.000 0.341 0.000 1.255 351 F CB -0.250 38.854 39.000 0.174 0.000 0.997 351 F HN -0.256 nan 8.300 nan 0.000 0.479 352 R N 0.005 120.677 120.500 0.286 0.000 2.083 352 R HA -0.179 4.160 4.340 -0.001 0.000 0.237 352 R C 1.904 178.302 176.300 0.164 0.000 1.137 352 R CA 1.707 57.900 56.100 0.155 0.000 0.951 352 R CB -0.748 29.614 30.300 0.104 0.000 0.851 352 R HN 0.264 nan 8.270 nan 0.000 0.434 353 D N 0.261 120.777 120.400 0.193 0.000 2.144 353 D HA -0.180 4.460 4.640 -0.001 0.000 0.199 353 D C 1.598 177.980 176.300 0.137 0.000 0.984 353 D CA 0.982 55.082 54.000 0.168 0.000 0.834 353 D CB -0.262 40.664 40.800 0.211 0.000 0.955 353 D HN 0.115 nan 8.370 nan 0.000 0.465 354 F N 0.635 120.615 119.950 0.050 0.000 2.075 354 F HA -0.178 4.349 4.527 -0.001 0.000 0.297 354 F C 2.288 178.015 175.800 -0.122 0.000 1.113 354 F CA 1.390 59.361 58.000 -0.047 0.000 1.218 354 F CB -0.447 38.502 39.000 -0.085 0.000 0.984 354 F HN 0.031 nan 8.300 nan 0.000 0.472 355 W N 1.902 122.839 121.300 -0.604 0.000 2.335 355 W HA -0.211 4.449 4.660 -0.001 0.000 0.311 355 W C 2.107 178.458 176.519 -0.280 0.000 1.213 355 W CA 2.338 59.358 57.345 -0.542 0.000 1.274 355 W CB -0.521 28.767 29.460 -0.286 0.000 1.148 355 W HN 0.222 nan 8.180 nan 0.000 0.498 356 E N -0.290 119.947 120.200 0.060 0.000 2.153 356 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 356 E C 2.119 178.646 176.600 -0.122 0.000 0.988 356 E CA 1.391 57.808 56.400 0.028 0.000 0.811 356 E CB -0.407 29.335 29.700 0.070 0.000 0.746 356 E HN 0.430 nan 8.360 nan 0.000 0.466 357 Q N 1.135 120.806 119.800 -0.216 0.000 2.163 357 Q HA -0.135 4.204 4.340 -0.001 0.000 0.198 357 Q C 2.140 177.908 176.000 -0.387 0.000 0.954 357 Q CA 0.971 56.630 55.803 -0.240 0.000 0.851 357 Q CB 0.134 28.768 28.738 -0.173 0.000 0.928 357 Q HN 0.021 nan 8.270 nan 0.000 0.459 358 K N -0.276 119.704 120.400 -0.700 0.000 2.026 358 K HA -0.127 4.193 4.320 -0.001 0.000 0.208 358 K C 1.150 177.216 176.600 -0.889 0.000 1.048 358 K CA 1.477 57.194 56.287 -0.950 0.000 0.929 358 K CB -0.081 31.448 32.500 -1.618 0.000 0.713 358 K HN 0.210 nan 8.250 nan 0.000 0.439 359 F N 1.210 120.855 119.950 -0.508 0.000 2.727 359 F HA 0.184 4.711 4.527 -0.001 0.000 0.302 359 F C -0.037 175.623 175.800 -0.234 0.000 1.097 359 F CA -0.418 57.350 58.000 -0.387 0.000 1.330 359 F CB 0.524 39.217 39.000 -0.512 0.000 1.084 359 F HN 0.012 nan 8.300 nan 0.000 0.578 360 Q N -0.463 119.275 119.800 -0.104 0.000 2.464 360 Q HA -0.203 4.136 4.340 -0.001 0.000 0.304 360 Q C 0.246 176.235 176.000 -0.020 0.000 1.401 360 Q CA 0.386 56.144 55.803 -0.075 0.000 0.806 360 Q CB -2.297 26.403 28.738 -0.064 0.000 1.134 360 Q HN 0.475 nan 8.270 nan 0.000 0.411 361 c N -0.290 118.317 118.600 0.011 0.000 2.097 361 c HA 0.736 5.306 4.570 -0.001 0.000 0.316 361 c C 1.242 175.373 174.090 0.070 0.000 2.863 361 c CA 0.341 56.714 56.329 0.073 0.000 1.809 361 c CB 1.508 44.122 42.510 0.173 0.000 2.092 361 c HN 0.742 nan 8.230 nan 0.000 0.382 362 S N -1.319 114.445 115.700 0.106 0.000 2.915 362 S HA 0.324 4.793 4.470 -0.001 0.000 0.274 362 S C -0.759 173.897 174.600 0.093 0.000 0.746 362 S CA -0.560 57.702 58.200 0.104 0.000 0.796 362 S CB -0.299 62.964 63.200 0.105 0.000 1.004 362 S HN 0.503 nan 8.310 nan 0.000 0.549 363 L N 2.619 123.888 121.223 0.078 0.000 3.383 363 L HA 0.570 4.909 4.340 -0.001 0.000 0.169 363 L C 1.078 177.975 176.870 0.046 0.000 1.161 363 L CA 0.180 55.055 54.840 0.058 0.000 0.847 363 L CB -1.255 40.827 42.059 0.038 0.000 1.514 363 L HN 0.720 nan 8.230 nan 0.000 0.582 364 Q N -0.784 119.039 119.800 0.038 0.000 1.752 364 Q HA 0.174 4.513 4.340 -0.001 0.000 0.169 364 Q C -0.036 175.980 176.000 0.026 0.000 0.747 364 Q CA 0.101 55.921 55.803 0.028 0.000 0.814 364 Q CB 1.037 29.788 28.738 0.022 0.000 1.218 364 Q HN 0.358 nan 8.270 nan 0.000 0.384 365 N N 1.143 119.864 118.700 0.035 0.000 2.735 365 N HA 0.209 4.949 4.740 -0.001 0.000 0.312 365 N C -0.873 174.670 175.510 0.056 0.000 1.843 365 N CA 0.269 53.341 53.050 0.036 0.000 0.945 365 N CB 0.654 39.160 38.487 0.031 0.000 1.299 365 N HN 0.047 nan 8.380 nan 0.000 0.489 366 K N 0.042 120.477 120.400 0.059 0.000 2.556 366 K HA 0.388 4.708 4.320 -0.001 0.000 0.289 366 K C -0.370 176.260 176.600 0.049 0.000 1.040 366 K CA -0.663 55.679 56.287 0.091 0.000 0.894 366 K CB 1.486 34.074 32.500 0.147 0.000 1.547 366 K HN -0.030 nan 8.250 nan 0.000 0.417 367 R N 0.839 121.370 120.500 0.051 0.000 2.840 367 R HA 0.104 4.443 4.340 -0.001 0.000 0.282 367 R C -0.072 176.010 176.300 -0.363 0.000 1.133 367 R CA -0.248 55.744 56.100 -0.181 0.000 1.208 367 R CB -0.379 29.752 30.300 -0.281 0.000 1.160 367 R HN 0.594 nan 8.270 nan 0.000 0.576 368 N N 2.391 120.830 118.700 -0.436 0.000 2.744 368 N HA 0.001 4.741 4.740 -0.001 0.000 0.290 368 N C -0.008 175.274 175.510 -0.380 0.000 1.206 368 N CA 0.395 53.267 53.050 -0.297 0.000 1.119 368 N CB -0.002 38.375 38.487 -0.183 0.000 1.449 368 N HN 0.365 nan 8.380 nan 0.000 0.514 369 H N 0.619 119.696 119.070 0.012 0.000 3.664 369 H HA 0.554 5.109 4.556 -0.001 0.000 0.282 369 H C 0.633 175.968 175.328 0.012 0.000 1.666 369 H CA -0.240 55.815 56.048 0.011 0.000 1.548 369 H CB 1.289 31.058 29.762 0.012 0.000 1.247 369 H HN 0.183 nan 8.280 nan 0.000 0.857 370 R N -0.444 120.166 120.500 0.183 0.000 2.947 370 R HA 0.241 4.581 4.340 -0.001 0.000 0.253 370 R C -0.839 175.503 176.300 0.070 0.000 1.208 370 R CA -0.990 55.165 56.100 0.092 0.000 1.012 370 R CB 1.205 31.544 30.300 0.065 0.000 1.267 370 R HN 0.569 nan 8.270 nan 0.000 0.473 371 Q N 1.237 121.065 119.800 0.047 0.000 2.398 371 Q HA -0.151 4.188 4.340 -0.001 0.000 0.355 371 Q C -0.785 175.243 176.000 0.047 0.000 1.334 371 Q CA -0.009 55.817 55.803 0.038 0.000 0.993 371 Q CB -0.227 28.526 28.738 0.026 0.000 1.112 371 Q HN 0.461 nan 8.270 nan 0.000 0.305 372 V N 3.575 123.517 119.914 0.046 0.000 3.566 372 V HA 0.178 4.298 4.120 -0.001 0.000 0.301 372 V C 0.284 176.412 176.094 0.057 0.000 1.105 372 V CA 0.310 62.642 62.300 0.053 0.000 1.142 372 V CB 1.317 33.167 31.823 0.044 0.000 1.107 372 V HN 0.880 nan 8.190 nan 0.000 0.481 373 c N 3.404 122.048 118.600 0.074 0.000 2.351 373 c HA 0.361 4.931 4.570 -0.001 0.000 0.326 373 c C -0.141 173.991 174.090 0.071 0.000 1.272 373 c CA -0.944 55.435 56.329 0.084 0.000 1.650 373 c CB 0.688 43.287 42.510 0.148 0.000 2.257 373 c HN 0.978 nan 8.230 nan 0.000 0.505 374 D N 2.378 122.803 120.400 0.042 0.000 2.502 374 D HA -0.029 4.611 4.640 -0.001 0.000 0.249 374 D C 0.910 177.222 176.300 0.019 0.000 1.188 374 D CA 0.571 54.586 54.000 0.026 0.000 0.890 374 D CB 0.735 41.553 40.800 0.029 0.000 1.140 374 D HN 0.559 nan 8.370 nan 0.000 0.505 375 K N 2.728 123.085 120.400 -0.072 0.000 2.519 375 K HA -0.125 4.195 4.320 -0.001 0.000 0.196 375 K C 0.961 177.403 176.600 -0.263 0.000 1.041 375 K CA 0.664 56.859 56.287 -0.152 0.000 0.954 375 K CB 0.211 32.513 32.500 -0.329 0.000 0.774 375 K HN 0.502 nan 8.250 nan 0.000 0.480 376 H N -0.110 118.969 119.070 0.014 0.000 2.586 376 H HA 0.108 4.664 4.556 -0.001 0.000 0.273 376 H C 0.477 175.800 175.328 -0.009 0.000 0.997 376 H CA -0.214 55.832 56.048 -0.004 0.000 1.177 376 H CB 0.314 30.062 29.762 -0.024 0.000 1.471 376 H HN -0.006 nan 8.280 nan 0.000 0.538 377 L N 1.487 122.734 121.223 0.040 0.000 2.499 377 L HA 0.247 4.586 4.340 -0.001 0.000 0.281 377 L C 0.672 177.531 176.870 -0.019 0.000 1.234 377 L CA 0.464 55.179 54.840 -0.209 0.000 0.839 377 L CB 0.051 41.709 42.059 -0.669 0.000 1.104 377 L HN 0.206 nan 8.230 nan 0.000 0.500 378 A N 3.714 126.440 122.820 -0.157 0.000 2.605 378 A HA 0.586 4.906 4.320 -0.001 0.000 0.294 378 A C -0.859 176.810 177.584 0.142 0.000 1.062 378 A CA -0.643 51.473 52.037 0.132 0.000 0.682 378 A CB 0.803 19.880 19.000 0.129 0.000 1.278 378 A HN 0.490 nan 8.150 nan 0.000 0.410 379 I N 2.597 123.293 120.570 0.210 0.000 2.379 379 I HA 0.389 4.559 4.170 -0.001 0.000 0.290 379 I C -0.256 175.920 176.117 0.099 0.000 1.063 379 I CA 0.344 61.731 61.300 0.145 0.000 1.351 379 I CB 0.505 38.477 38.000 -0.047 0.000 1.410 379 I HN 0.808 nan 8.210 nan 0.000 0.505 380 D N 2.578 123.078 120.400 0.167 0.000 2.677 380 D HA 0.122 4.761 4.640 -0.001 0.000 0.298 380 D C 0.669 177.103 176.300 0.223 0.000 1.250 380 D CA -0.487 53.609 54.000 0.160 0.000 0.888 380 D CB 0.622 41.484 40.800 0.104 0.000 1.397 380 D HN 0.317 nan 8.370 nan 0.000 0.461 381 S N -0.730 115.075 115.700 0.175 0.000 2.461 381 S HA -0.247 4.223 4.470 -0.001 0.000 0.246 381 S C 1.534 176.195 174.600 0.102 0.000 1.007 381 S CA 1.738 60.025 58.200 0.145 0.000 0.976 381 S CB -0.907 62.350 63.200 0.095 0.000 0.763 381 S HN 0.695 nan 8.310 nan 0.000 0.508 382 S N 1.712 117.470 115.700 0.097 0.000 2.517 382 S HA 0.119 4.589 4.470 -0.001 0.000 0.214 382 S C 0.998 175.638 174.600 0.066 0.000 0.991 382 S CA 0.186 58.424 58.200 0.062 0.000 0.906 382 S CB -0.395 62.833 63.200 0.046 0.000 0.789 382 S HN 0.786 nan 8.310 nan 0.000 0.513 383 N N -0.460 118.309 118.700 0.115 0.000 2.118 383 N HA 0.201 4.941 4.740 -0.001 0.000 0.226 383 N C -0.528 175.086 175.510 0.173 0.000 1.305 383 N CA -0.615 52.495 53.050 0.101 0.000 0.890 383 N CB -0.127 38.415 38.487 0.091 0.000 1.118 383 N HN 0.536 nan 8.380 nan 0.000 0.511 384 Y N 0.590 120.938 120.300 0.080 0.000 2.512 384 Y HA 0.656 5.205 4.550 -0.001 0.000 0.348 384 Y C -1.514 174.446 175.900 0.099 0.000 0.990 384 Y CA -1.183 56.995 58.100 0.129 0.000 1.033 384 Y CB 1.838 40.430 38.460 0.220 0.000 1.259 384 Y HN 0.097 nan 8.280 nan 0.000 0.461 385 E N 4.899 124.597 120.200 -0.837 0.000 2.287 385 E HA 0.172 4.521 4.350 -0.001 0.000 0.274 385 E C -1.655 174.463 176.600 -0.803 0.000 0.896 385 E CA -0.804 55.122 56.400 -0.790 0.000 0.788 385 E CB 1.616 31.140 29.700 -0.295 0.000 1.244 385 E HN 0.853 nan 8.360 nan 0.000 0.408 386 Q N 3.267 122.630 119.800 -0.727 0.000 2.308 386 Q HA -0.092 4.248 4.340 -0.001 0.000 0.313 386 Q C -0.088 175.829 176.000 -0.139 0.000 1.075 386 Q CA 0.407 56.088 55.803 -0.203 0.000 0.995 386 Q CB 0.698 29.446 28.738 0.017 0.000 1.107 386 Q HN 0.461 nan 8.270 nan 0.000 0.380 387 E N 2.579 122.727 120.200 -0.087 0.000 2.413 387 E HA -0.092 4.257 4.350 -0.001 0.000 0.263 387 E C 0.333 176.881 176.600 -0.087 0.000 1.015 387 E CA 0.347 56.691 56.400 -0.092 0.000 0.916 387 E CB 1.285 30.932 29.700 -0.089 0.000 0.947 387 E HN 0.861 nan 8.360 nan 0.000 0.440 388 S N 3.742 119.393 115.700 -0.082 0.000 2.380 388 S HA -0.176 4.294 4.470 -0.001 0.000 0.229 388 S C 1.217 175.842 174.600 0.041 0.000 1.043 388 S CA 1.581 59.752 58.200 -0.048 0.000 1.038 388 S CB 0.095 63.246 63.200 -0.082 0.000 0.872 388 S HN 0.470 nan 8.310 nan 0.000 0.456 389 K N 0.479 120.931 120.400 0.085 0.000 2.417 389 K HA 0.199 4.519 4.320 -0.001 0.000 0.196 389 K C 1.346 178.019 176.600 0.122 0.000 1.023 389 K CA -0.232 56.219 56.287 0.273 0.000 1.122 389 K CB 0.089 32.776 32.500 0.311 0.000 0.850 389 K HN 0.338 nan 8.250 nan 0.000 0.521 390 I N 1.720 122.240 120.570 -0.084 0.000 2.194 390 I HA -0.353 3.816 4.170 -0.001 0.000 0.246 390 I C 2.330 178.325 176.117 -0.203 0.000 1.093 390 I CA 1.627 62.778 61.300 -0.248 0.000 1.355 390 I CB -0.731 37.011 38.000 -0.429 0.000 1.046 390 I HN 0.374 nan 8.210 nan 0.000 0.413 391 M N 0.220 119.684 119.600 -0.227 0.000 2.106 391 M HA -0.286 4.194 4.480 -0.001 0.000 0.259 391 M C 2.350 178.499 176.300 -0.252 0.000 1.068 391 M CA 2.156 57.283 55.300 -0.289 0.000 1.100 391 M CB -0.252 32.057 32.600 -0.484 0.000 1.351 391 M HN 0.059 nan 8.290 nan 0.000 0.404 392 F N -0.859 119.120 119.950 0.050 0.000 2.259 392 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 392 F C 2.165 178.067 175.800 0.169 0.000 1.088 392 F CA 0.738 58.805 58.000 0.112 0.000 1.358 392 F CB -0.724 38.359 39.000 0.139 0.000 1.040 392 F HN -0.051 nan 8.300 nan 0.000 0.505 393 V N -0.521 119.532 119.914 0.233 0.000 2.307 393 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 393 V C 2.270 178.472 176.094 0.180 0.000 1.045 393 V CA 1.465 63.835 62.300 0.117 0.000 1.024 393 V CB -0.617 31.101 31.823 -0.174 0.000 0.651 393 V HN 0.159 nan 8.190 nan 0.000 0.449 394 V N 0.859 120.855 119.914 0.137 0.000 2.295 394 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 394 V C 2.252 178.542 176.094 0.327 0.000 1.049 394 V CA 2.172 64.627 62.300 0.258 0.000 1.024 394 V CB -0.884 31.094 31.823 0.258 0.000 0.648 394 V HN 0.575 nan 8.190 nan 0.000 0.447 395 N N 0.488 119.315 118.700 0.212 0.000 2.309 395 N HA -0.044 4.696 4.740 -0.001 0.000 0.182 395 N C 1.777 177.466 175.510 0.298 0.000 1.018 395 N CA 1.379 54.555 53.050 0.210 0.000 0.876 395 N CB -0.421 38.119 38.487 0.089 0.000 0.972 395 N HN 0.506 nan 8.380 nan 0.000 0.434 396 A N 0.614 123.627 122.820 0.322 0.000 1.873 396 A HA -0.046 4.274 4.320 -0.001 0.000 0.215 396 A C 2.420 180.179 177.584 0.291 0.000 1.186 396 A CA 1.141 53.383 52.037 0.342 0.000 0.616 396 A CB -0.703 18.515 19.000 0.364 0.000 0.823 396 A HN 0.082 nan 8.150 nan 0.000 0.442 397 V N -1.530 118.547 119.914 0.272 0.000 2.295 397 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 397 V C 2.366 178.544 176.094 0.139 0.000 1.049 397 V CA 1.949 64.354 62.300 0.175 0.000 1.024 397 V CB -1.093 30.823 31.823 0.155 0.000 0.648 397 V HN 0.634 nan 8.190 nan 0.000 0.447 398 Y N 0.599 120.994 120.300 0.158 0.000 2.274 398 Y HA -0.148 4.401 4.550 -0.001 0.000 0.290 398 Y C 2.482 178.554 175.900 0.287 0.000 1.145 398 Y CA 1.269 59.484 58.100 0.192 0.000 1.203 398 Y CB -0.706 37.871 38.460 0.195 0.000 0.984 398 Y HN 0.191 nan 8.280 nan 0.000 0.533 399 A N -0.492 122.574 122.820 0.410 0.000 1.877 399 A HA -0.261 4.059 4.320 -0.001 0.000 0.216 399 A C 2.226 180.009 177.584 0.332 0.000 1.186 399 A CA 1.985 54.295 52.037 0.454 0.000 0.620 399 A CB -0.779 18.607 19.000 0.643 0.000 0.822 399 A HN 0.437 nan 8.150 nan 0.000 0.443 400 M N 0.108 119.777 119.600 0.116 0.000 2.117 400 M HA -0.055 4.425 4.480 -0.001 0.000 0.262 400 M C 2.172 178.465 176.300 -0.012 0.000 1.065 400 M CA 1.778 57.016 55.300 -0.104 0.000 1.114 400 M CB -0.521 32.002 32.600 -0.129 0.000 1.361 400 M HN 0.394 nan 8.290 nan 0.000 0.408 401 A N -0.891 121.932 122.820 0.004 0.000 1.858 401 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 401 A C 2.154 179.747 177.584 0.015 0.000 1.190 401 A CA 1.929 53.931 52.037 -0.058 0.000 0.617 401 A CB -1.380 17.484 19.000 -0.226 0.000 0.827 401 A HN 0.692 nan 8.150 nan 0.000 0.443 402 H N -0.570 118.557 119.070 0.094 0.000 2.422 402 H HA -0.091 4.465 4.556 -0.001 0.000 0.298 402 H C 2.493 177.927 175.328 0.178 0.000 1.098 402 H CA 1.474 57.611 56.048 0.149 0.000 1.315 402 H CB -0.208 29.651 29.762 0.161 0.000 1.382 402 H HN 0.544 nan 8.280 nan 0.000 0.523 403 A N 0.755 123.737 122.820 0.271 0.000 1.930 403 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 403 A C 2.648 180.306 177.584 0.123 0.000 1.175 403 A CA 0.760 52.922 52.037 0.208 0.000 0.627 403 A CB -0.625 18.491 19.000 0.193 0.000 0.815 403 A HN 0.248 nan 8.150 nan 0.000 0.443 404 L N -1.751 119.521 121.223 0.082 0.000 2.109 404 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 404 L C 2.569 179.473 176.870 0.056 0.000 1.086 404 L CA 1.562 56.429 54.840 0.045 0.000 0.760 404 L CB -0.611 41.456 42.059 0.013 0.000 0.910 404 L HN 0.631 nan 8.230 nan 0.000 0.437 405 H N 0.587 119.658 119.070 0.001 0.000 2.290 405 H HA -0.237 4.319 4.556 -0.001 0.000 0.298 405 H C 2.330 177.678 175.328 0.032 0.000 1.087 405 H CA 2.150 58.197 56.048 -0.001 0.000 1.291 405 H CB 0.113 29.854 29.762 -0.034 0.000 1.369 405 H HN 0.089 nan 8.280 nan 0.000 0.492 406 K N -0.176 120.272 120.400 0.080 0.000 2.057 406 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 406 K C 2.399 178.985 176.600 -0.024 0.000 1.049 406 K CA 1.672 57.980 56.287 0.036 0.000 0.931 406 K CB -0.197 32.382 32.500 0.131 0.000 0.714 406 K HN 0.423 nan 8.250 nan 0.000 0.440 407 M N 0.980 120.582 119.600 0.003 0.000 2.175 407 M HA -0.223 4.257 4.480 -0.001 0.000 0.264 407 M C 2.143 178.419 176.300 -0.039 0.000 1.063 407 M CA 1.937 57.236 55.300 -0.003 0.000 1.119 407 M CB -0.056 32.556 32.600 0.020 0.000 1.377 407 M HN 0.207 nan 8.290 nan 0.000 0.415 408 Q N 0.091 119.843 119.800 -0.079 0.000 2.123 408 Q HA -0.109 4.230 4.340 -0.001 0.000 0.199 408 Q C 1.706 177.631 176.000 -0.124 0.000 0.966 408 Q CA 1.493 57.239 55.803 -0.094 0.000 0.845 408 Q CB -0.482 28.195 28.738 -0.102 0.000 0.907 408 Q HN 0.370 nan 8.270 nan 0.000 0.439 409 R N 0.052 120.433 120.500 -0.198 0.000 2.092 409 R HA 0.000 4.340 4.340 -0.001 0.000 0.231 409 R C 2.097 178.354 176.300 -0.072 0.000 1.119 409 R CA 1.720 57.725 56.100 -0.157 0.000 0.970 409 R CB -0.913 29.273 30.300 -0.190 0.000 0.864 409 R HN 0.429 nan 8.270 nan 0.000 0.440 410 T N 1.383 115.904 114.554 -0.054 0.000 2.857 410 T HA 0.060 4.410 4.350 -0.001 0.000 0.266 410 T C 1.917 176.607 174.700 -0.017 0.000 1.048 410 T CA 0.800 62.886 62.100 -0.023 0.000 1.139 410 T CB 0.064 68.927 68.868 -0.009 0.000 0.874 410 T HN 0.123 nan 8.240 nan 0.000 0.455 411 L N -0.259 120.952 121.223 -0.020 0.000 2.463 411 L HA 0.225 4.565 4.340 -0.001 0.000 0.219 411 L C 0.582 177.444 176.870 -0.015 0.000 1.088 411 L CA 0.240 55.073 54.840 -0.011 0.000 0.849 411 L CB 0.332 42.388 42.059 -0.006 0.000 1.012 411 L HN 0.199 nan 8.230 nan 0.000 0.468 412 c N 1.164 119.749 118.600 -0.025 0.000 2.878 412 c HA 0.247 4.817 4.570 -0.001 0.000 0.313 412 c C -0.687 173.388 174.090 -0.025 0.000 1.397 412 c CA -1.054 55.261 56.329 -0.023 0.000 1.636 412 c CB -0.414 42.080 42.510 -0.027 0.000 2.075 412 c HN 0.224 nan 8.230 nan 0.000 0.518 413 P HA -0.184 nan 4.420 nan 0.000 0.219 413 P C 1.091 178.386 177.300 -0.008 0.000 1.146 413 P CA 1.589 64.681 63.100 -0.014 0.000 0.808 413 P CB 0.329 32.024 31.700 -0.008 0.000 0.779 414 Q N -0.295 119.501 119.800 -0.007 0.000 2.354 414 Q HA 0.055 4.395 4.340 -0.001 0.000 0.203 414 Q C 0.873 176.871 176.000 -0.003 0.000 0.933 414 Q CA 0.887 56.688 55.803 -0.003 0.000 0.901 414 Q CB 0.162 28.899 28.738 -0.002 0.000 1.007 414 Q HN 0.377 nan 8.270 nan 0.000 0.495 415 T N -3.622 110.928 114.554 -0.007 0.000 2.838 415 T HA 0.256 4.605 4.350 -0.001 0.000 0.292 415 T C 0.693 175.386 174.700 -0.011 0.000 1.113 415 T CA -0.369 61.727 62.100 -0.007 0.000 1.008 415 T CB 1.477 70.341 68.868 -0.007 0.000 1.259 415 T HN 0.029 nan 8.240 nan 0.000 0.520 416 T N -2.311 112.239 114.554 -0.007 0.000 3.107 416 T HA 0.305 4.655 4.350 -0.001 0.000 0.249 416 T C 0.415 175.109 174.700 -0.010 0.000 1.096 416 T CA -0.144 61.952 62.100 -0.007 0.000 1.012 416 T CB -0.299 68.572 68.868 0.004 0.000 0.977 416 T HN 0.547 nan 8.240 nan 0.000 0.527 417 K N 0.901 121.294 120.400 -0.011 0.000 2.090 417 K HA 0.402 4.722 4.320 -0.001 0.000 0.249 417 K C -0.431 176.161 176.600 -0.013 0.000 0.995 417 K CA -1.034 55.246 56.287 -0.011 0.000 0.914 417 K CB 0.806 33.301 32.500 -0.009 0.000 1.057 417 K HN 0.016 nan 8.250 nan 0.000 0.462 418 L N 4.406 125.623 121.223 -0.011 0.000 2.623 418 L HA 0.012 4.352 4.340 -0.001 0.000 0.281 418 L C 0.135 177.001 176.870 -0.007 0.000 1.150 418 L CA 0.187 55.021 54.840 -0.010 0.000 0.965 418 L CB -1.297 40.758 42.059 -0.007 0.000 1.303 418 L HN 0.775 nan 8.230 nan 0.000 0.467 419 c N 2.751 121.346 118.600 -0.008 0.000 2.563 419 c HA 0.240 4.809 4.570 -0.001 0.000 0.358 419 c C 1.831 175.920 174.090 -0.002 0.000 1.336 419 c CA -0.923 55.403 56.329 -0.005 0.000 2.454 419 c CB 0.551 43.057 42.510 -0.007 0.000 2.448 419 c HN 0.782 nan 8.230 nan 0.000 0.670 420 D N 1.170 121.570 120.400 0.000 0.000 2.133 420 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 420 D C 2.294 178.597 176.300 0.004 0.000 0.997 420 D CA 2.296 56.297 54.000 0.003 0.000 0.840 420 D CB -0.601 40.201 40.800 0.003 0.000 0.947 420 D HN 0.861 nan 8.370 nan 0.000 0.452 421 A N 0.197 123.019 122.820 0.003 0.000 2.131 421 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 421 A C 2.038 179.626 177.584 0.007 0.000 1.158 421 A CA 1.071 53.111 52.037 0.005 0.000 0.665 421 A CB -0.326 18.676 19.000 0.003 0.000 0.795 421 A HN 0.193 nan 8.150 nan 0.000 0.460 422 M N -2.240 117.363 119.600 0.005 0.000 2.346 422 M HA 0.107 4.586 4.480 -0.001 0.000 0.280 422 M C 1.341 177.646 176.300 0.009 0.000 1.075 422 M CA 0.083 55.387 55.300 0.007 0.000 0.989 422 M CB 0.487 33.087 32.600 0.001 0.000 1.447 422 M HN 0.166 nan 8.290 nan 0.000 0.511 423 K N 1.874 122.280 120.400 0.009 0.000 2.074 423 K HA -0.036 4.284 4.320 -0.001 0.000 0.209 423 K C 0.685 177.294 176.600 0.015 0.000 1.048 423 K CA 1.090 57.383 56.287 0.010 0.000 0.926 423 K CB -0.131 32.374 32.500 0.009 0.000 0.713 423 K HN 0.478 nan 8.250 nan 0.000 0.444 424 I N -0.401 120.180 120.570 0.019 0.000 2.405 424 I HA 0.279 4.448 4.170 -0.001 0.000 0.280 424 I C -0.729 175.406 176.117 0.030 0.000 1.027 424 I CA -0.864 60.451 61.300 0.025 0.000 1.161 424 I CB 0.973 38.989 38.000 0.026 0.000 1.300 424 I HN -0.208 nan 8.210 nan 0.000 0.463 425 L N 4.560 125.803 121.223 0.032 0.000 2.483 425 L HA 0.132 4.472 4.340 -0.001 0.000 0.276 425 L C 0.459 177.362 176.870 0.055 0.000 1.213 425 L CA 0.298 55.162 54.840 0.040 0.000 0.843 425 L CB 0.284 42.367 42.059 0.039 0.000 1.107 425 L HN 0.661 nan 8.230 nan 0.000 0.487 426 D N 1.953 122.391 120.400 0.064 0.000 2.456 426 D HA 0.145 4.784 4.640 -0.001 0.000 0.219 426 D C 0.957 177.329 176.300 0.119 0.000 1.126 426 D CA -0.256 53.793 54.000 0.083 0.000 0.890 426 D CB 1.700 42.543 40.800 0.071 0.000 1.025 426 D HN 0.639 nan 8.370 nan 0.000 0.511 427 G N 3.745 112.636 108.800 0.151 0.000 2.471 427 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 427 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 427 G C 1.363 176.489 174.900 0.377 0.000 1.125 427 G CA 0.447 45.686 45.100 0.232 0.000 0.775 427 G HN 0.482 nan 8.290 nan 0.000 0.548 428 K N 0.145 120.749 120.400 0.340 0.000 2.025 428 K HA -0.040 4.280 4.320 -0.001 0.000 0.207 428 K C 2.430 179.131 176.600 0.168 0.000 1.049 428 K CA 1.196 57.653 56.287 0.284 0.000 0.933 428 K CB -0.070 32.565 32.500 0.225 0.000 0.714 428 K HN 0.051 nan 8.250 nan 0.000 0.438 429 K N 0.871 121.353 120.400 0.136 0.000 2.025 429 K HA -0.108 4.212 4.320 -0.001 0.000 0.207 429 K C 1.928 178.589 176.600 0.102 0.000 1.049 429 K CA 0.923 57.266 56.287 0.092 0.000 0.933 429 K CB -0.503 32.040 32.500 0.072 0.000 0.714 429 K HN 0.085 nan 8.250 nan 0.000 0.438 430 L N 0.025 121.327 121.223 0.131 0.000 2.013 430 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 430 L C 2.021 178.995 176.870 0.173 0.000 1.073 430 L CA 1.874 56.793 54.840 0.133 0.000 0.753 430 L CB -0.865 41.271 42.059 0.128 0.000 0.890 430 L HN 0.346 nan 8.230 nan 0.000 0.432 431 Y N 0.487 120.842 120.300 0.091 0.000 2.333 431 Y HA -0.123 4.426 4.550 -0.001 0.000 0.290 431 Y C 1.188 177.096 175.900 0.013 0.000 1.144 431 Y CA 1.339 59.487 58.100 0.081 0.000 1.228 431 Y CB -0.036 38.366 38.460 -0.097 0.000 0.985 431 Y HN 0.215 nan 8.280 nan 0.000 0.542 432 K N 0.608 120.984 120.400 -0.041 0.000 3.147 432 K HA 0.151 4.470 4.320 -0.001 0.000 0.214 432 K C 0.088 176.661 176.600 -0.045 0.000 1.221 432 K CA 0.200 56.422 56.287 -0.108 0.000 1.117 432 K CB 0.597 33.076 32.500 -0.035 0.000 1.278 432 K HN 0.277 nan 8.250 nan 0.000 0.479 433 E N -0.784 119.401 120.200 -0.025 0.000 2.439 433 E HA -0.032 4.317 4.350 -0.001 0.000 0.185 433 E C 0.461 177.110 176.600 0.082 0.000 0.959 433 E CA 0.051 56.470 56.400 0.033 0.000 1.481 433 E CB 0.156 29.894 29.700 0.063 0.000 2.277 433 E HN 0.335 nan 8.360 nan 0.000 0.950 434 Y N 0.613 120.841 120.300 -0.120 0.000 2.522 434 Y HA 0.345 4.894 4.550 -0.001 0.000 0.277 434 Y C 1.288 177.073 175.900 -0.191 0.000 1.104 434 Y CA 0.647 58.673 58.100 -0.122 0.000 1.260 434 Y CB 0.124 38.479 38.460 -0.175 0.000 1.151 434 Y HN 0.048 nan 8.280 nan 0.000 0.539 435 L N 0.107 120.958 121.223 -0.619 0.000 2.201 435 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 435 L C 1.672 178.419 176.870 -0.205 0.000 1.105 435 L CA 1.038 55.503 54.840 -0.625 0.000 0.775 435 L CB -0.272 41.435 42.059 -0.587 0.000 0.913 435 L HN 0.254 nan 8.230 nan 0.000 0.440 436 L N -0.743 120.400 121.223 -0.132 0.000 2.592 436 L HA 0.034 4.374 4.340 -0.001 0.000 0.227 436 L C 0.807 177.670 176.870 -0.011 0.000 1.127 436 L CA -0.240 54.566 54.840 -0.056 0.000 0.884 436 L CB -0.279 41.752 42.059 -0.047 0.000 1.065 436 L HN 0.005 nan 8.230 nan 0.000 0.457 437 K N 1.939 122.358 120.400 0.032 0.000 2.382 437 K HA 0.312 4.631 4.320 -0.001 0.000 0.275 437 K C -0.662 175.923 176.600 -0.026 0.000 1.009 437 K CA 0.577 56.902 56.287 0.063 0.000 0.970 437 K CB 0.410 33.027 32.500 0.194 0.000 0.934 437 K HN 0.021 nan 8.250 nan 0.000 0.479 438 I N 5.024 125.552 120.570 -0.071 0.000 2.599 438 I HA 0.167 4.337 4.170 -0.001 0.000 0.285 438 I C -0.900 175.104 176.117 -0.187 0.000 1.168 438 I CA -0.649 60.557 61.300 -0.156 0.000 1.060 438 I CB 1.631 39.550 38.000 -0.135 0.000 1.249 438 I HN 0.682 nan 8.210 nan 0.000 0.442 439 Q N 6.285 125.916 119.800 -0.282 0.000 2.511 439 Q HA 0.450 4.789 4.340 -0.001 0.000 0.289 439 Q C -2.027 173.781 176.000 -0.321 0.000 1.021 439 Q CA -0.660 54.970 55.803 -0.288 0.000 0.785 439 Q CB 2.388 30.785 28.738 -0.568 0.000 1.472 439 Q HN 0.346 nan 8.270 nan 0.000 0.411 440 F N 1.421 121.250 119.950 -0.201 0.000 2.438 440 F HA 0.228 4.754 4.527 -0.001 0.000 0.356 440 F C 0.752 176.431 175.800 -0.202 0.000 1.099 440 F CA 0.299 58.196 58.000 -0.173 0.000 1.185 440 F CB 1.244 40.160 39.000 -0.141 0.000 1.115 440 F HN 0.406 nan 8.300 nan 0.000 0.526 441 T N 3.717 118.216 114.554 -0.091 0.000 2.781 441 T HA 0.075 4.425 4.350 -0.001 0.000 0.270 441 T C 0.476 175.029 174.700 -0.245 0.000 1.022 441 T CA 0.134 62.142 62.100 -0.153 0.000 1.144 441 T CB -0.059 68.730 68.868 -0.131 0.000 1.039 441 T HN 0.829 nan 8.240 nan 0.000 0.494 442 A N 6.558 129.104 122.820 -0.457 0.000 2.616 442 A HA 0.057 4.376 4.320 -0.001 0.000 0.242 442 A C -0.262 176.793 177.584 -0.881 0.000 0.987 442 A CA -0.758 50.697 52.037 -0.970 0.000 0.800 442 A CB -0.483 17.608 19.000 -1.515 0.000 0.883 442 A HN 0.685 nan 8.150 nan 0.000 0.496 443 P HA -0.274 nan 4.420 nan 0.000 0.227 443 P C 0.686 177.806 177.300 -0.300 0.000 1.154 443 P CA 2.123 64.904 63.100 -0.532 0.000 0.879 443 P CB -0.337 31.055 31.700 -0.513 0.000 0.779 444 F N -2.147 117.784 119.950 -0.032 0.000 2.729 444 F HA -0.043 4.484 4.527 -0.001 0.000 0.299 444 F C 1.175 176.971 175.800 -0.007 0.000 1.292 444 F CA -0.181 57.834 58.000 0.026 0.000 1.450 444 F CB -0.841 38.215 39.000 0.093 0.000 1.109 444 F HN -0.001 nan 8.300 nan 0.000 0.561 445 N N 1.919 120.638 118.700 0.032 0.000 2.461 445 N HA 0.192 4.932 4.740 -0.001 0.000 0.284 445 N C -2.817 172.677 175.510 -0.026 0.000 1.049 445 N CA -1.691 51.354 53.050 -0.009 0.000 0.889 445 N CB 2.122 40.574 38.487 -0.059 0.000 1.365 445 N HN -0.178 nan 8.380 nan 0.000 0.499 446 P HA 0.038 nan 4.420 nan 0.000 0.269 446 P C 0.049 177.318 177.300 -0.051 0.000 1.217 446 P CA 0.062 63.142 63.100 -0.032 0.000 0.783 446 P CB 0.638 32.320 31.700 -0.029 0.000 0.898 447 N N 1.034 119.708 118.700 -0.043 0.000 5.495 447 N HA -0.279 4.461 4.740 -0.001 0.000 0.335 447 N C -0.307 175.195 175.510 -0.014 0.000 0.914 447 N CA 1.639 54.665 53.050 -0.039 0.000 1.149 447 N CB -1.306 37.156 38.487 -0.043 0.000 0.791 447 N HN 0.658 nan 8.380 nan 0.000 0.517 448 K N -2.500 117.915 120.400 0.024 0.000 2.612 448 K HA 0.238 4.558 4.320 -0.001 0.000 0.199 448 K C 1.064 177.773 176.600 0.181 0.000 1.520 448 K CA 0.272 56.665 56.287 0.176 0.000 1.039 448 K CB 0.731 33.265 32.500 0.057 0.000 1.286 448 K HN 0.586 nan 8.250 nan 0.000 0.622 449 G N 0.746 109.580 108.800 0.058 0.000 2.719 449 G HA2 0.051 4.010 3.960 -0.001 0.000 0.211 449 G HA3 0.051 4.010 3.960 -0.001 0.000 0.211 449 G C 0.996 175.893 174.900 -0.005 0.000 1.140 449 G CA 0.366 45.484 45.100 0.031 0.000 0.790 449 G HN 0.180 nan 8.290 nan 0.000 0.529 450 A N 1.088 123.890 122.820 -0.030 0.000 2.426 450 A HA 0.339 4.659 4.320 -0.001 0.000 0.247 450 A C 0.786 178.331 177.584 -0.065 0.000 1.389 450 A CA 0.298 52.300 52.037 -0.058 0.000 1.129 450 A CB -0.664 18.274 19.000 -0.104 0.000 0.928 450 A HN 0.301 nan 8.150 nan 0.000 0.557 451 D N 0.429 120.795 120.400 -0.056 0.000 2.802 451 D HA -0.151 4.489 4.640 -0.001 0.000 0.229 451 D C 0.325 176.552 176.300 -0.122 0.000 1.203 451 D CA 1.130 55.074 54.000 -0.092 0.000 0.712 451 D CB -1.038 39.714 40.800 -0.080 0.000 0.973 451 D HN 0.606 nan 8.370 nan 0.000 0.407 452 S N 0.524 116.149 115.700 -0.125 0.000 2.704 452 S HA 0.376 4.846 4.470 -0.001 0.000 0.241 452 S C 0.927 175.377 174.600 -0.251 0.000 1.264 452 S CA -0.854 57.265 58.200 -0.136 0.000 1.236 452 S CB -0.437 62.729 63.200 -0.057 0.000 0.928 452 S HN 0.450 nan 8.310 nan 0.000 0.492 453 I N -0.839 119.526 120.570 -0.341 0.000 2.404 453 I HA 0.769 4.939 4.170 -0.001 0.000 0.293 453 I C -0.219 175.701 176.117 -0.328 0.000 0.992 453 I CA -1.475 59.540 61.300 -0.474 0.000 1.149 453 I CB 1.907 39.563 38.000 -0.573 0.000 1.315 453 I HN 0.070 nan 8.210 nan 0.000 0.446 454 V N 4.925 124.647 119.914 -0.320 0.000 2.427 454 V HA 0.793 4.912 4.120 -0.001 0.000 0.286 454 V C -0.366 175.489 176.094 -0.399 0.000 1.034 454 V CA 0.009 62.123 62.300 -0.311 0.000 0.893 454 V CB 1.126 32.816 31.823 -0.222 0.000 0.982 454 V HN 1.128 nan 8.190 nan 0.000 0.452 455 K N 4.208 124.276 120.400 -0.554 0.000 2.672 455 K HA 0.644 4.963 4.320 -0.001 0.000 0.295 455 K C -1.845 174.255 176.600 -0.833 0.000 1.042 455 K CA -0.902 55.031 56.287 -0.589 0.000 0.869 455 K CB 1.301 33.622 32.500 -0.298 0.000 1.541 455 K HN 0.472 nan 8.250 nan 0.000 0.396 456 F N 0.448 120.305 119.950 -0.157 0.000 2.577 456 F HA 0.364 4.890 4.527 -0.001 0.000 0.318 456 F C 0.068 175.806 175.800 -0.103 0.000 1.065 456 F CA -0.698 57.218 58.000 -0.141 0.000 0.929 456 F CB 1.729 40.580 39.000 -0.249 0.000 1.237 456 F HN 0.518 nan 8.300 nan 0.000 0.468 457 D N -0.210 120.285 120.400 0.159 0.000 2.346 457 D HA 0.088 4.727 4.640 -0.001 0.000 0.249 457 D C 1.431 177.742 176.300 0.019 0.000 1.308 457 D CA 0.582 54.649 54.000 0.111 0.000 0.987 457 D CB 0.518 41.474 40.800 0.260 0.000 1.114 457 D HN 0.689 nan 8.370 nan 0.000 0.529 458 T N -2.316 112.156 114.554 -0.138 0.000 2.995 458 T HA -0.077 4.273 4.350 -0.001 0.000 0.269 458 T C 1.441 175.949 174.700 -0.320 0.000 1.091 458 T CA 0.787 62.700 62.100 -0.311 0.000 1.128 458 T CB -0.375 68.177 68.868 -0.526 0.000 0.891 458 T HN 0.288 nan 8.240 nan 0.000 0.492 459 F N 1.667 121.664 119.950 0.078 0.000 2.765 459 F HA 0.477 5.003 4.527 -0.001 0.000 0.302 459 F C 1.919 177.808 175.800 0.147 0.000 1.111 459 F CA -0.147 57.921 58.000 0.114 0.000 1.359 459 F CB -0.310 38.761 39.000 0.119 0.000 1.097 459 F HN 0.349 nan 8.300 nan 0.000 0.577 460 G N 0.500 109.436 108.800 0.226 0.000 2.147 460 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.244 460 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.244 460 G C -0.335 174.743 174.900 0.298 0.000 1.005 460 G CA -0.042 45.150 45.100 0.154 0.000 0.713 460 G HN 0.294 nan 8.290 nan 0.000 0.515 461 D N -0.260 120.341 120.400 0.336 0.000 2.385 461 D HA 0.633 5.272 4.640 -0.001 0.000 0.254 461 D C 1.007 177.433 176.300 0.209 0.000 1.053 461 D CA 0.535 54.711 54.000 0.293 0.000 0.992 461 D CB 1.257 42.232 40.800 0.291 0.000 1.145 461 D HN 0.354 nan 8.370 nan 0.000 0.523 462 G N -0.339 108.537 108.800 0.128 0.000 2.557 462 G HA2 0.430 4.390 3.960 -0.001 0.000 0.302 462 G HA3 0.430 4.390 3.960 -0.001 0.000 0.302 462 G C -0.024 174.874 174.900 -0.004 0.000 1.311 462 G CA -0.582 44.533 45.100 0.024 0.000 1.030 462 G HN 0.195 nan 8.290 nan 0.000 0.509 463 M N 1.054 120.628 119.600 -0.043 0.000 2.200 463 M HA 0.217 4.697 4.480 -0.001 0.000 0.355 463 M C 1.089 177.305 176.300 -0.140 0.000 1.283 463 M CA -0.736 54.514 55.300 -0.084 0.000 1.124 463 M CB 0.525 33.086 32.600 -0.065 0.000 1.625 463 M HN 0.492 nan 8.290 nan 0.000 0.463 464 G N 5.294 113.955 108.800 -0.231 0.000 3.008 464 G HA2 0.234 4.194 3.960 -0.001 0.000 0.272 464 G HA3 0.234 4.194 3.960 -0.001 0.000 0.272 464 G C 0.125 175.005 174.900 -0.033 0.000 0.764 464 G CA -0.467 44.510 45.100 -0.204 0.000 2.029 464 G HN 0.458 nan 8.290 nan 0.000 0.587 465 R N 1.159 121.524 120.500 -0.224 0.000 2.437 465 R HA 0.488 4.827 4.340 -0.001 0.000 0.310 465 R C -1.296 174.871 176.300 -0.222 0.000 0.955 465 R CA -0.784 55.293 56.100 -0.038 0.000 0.851 465 R CB 1.356 31.663 30.300 0.011 0.000 1.161 465 R HN 0.385 nan 8.270 nan 0.000 0.446 466 Y N 0.244 120.724 120.300 0.300 0.000 2.602 466 Y HA 0.450 4.999 4.550 -0.001 0.000 0.342 466 Y C 0.316 176.349 175.900 0.222 0.000 1.029 466 Y CA -1.068 57.181 58.100 0.247 0.000 1.080 466 Y CB 1.827 40.422 38.460 0.224 0.000 1.284 466 Y HN 0.356 nan 8.280 nan 0.000 0.485 467 N N -0.059 118.839 118.700 0.329 0.000 2.272 467 N HA 0.630 5.370 4.740 -0.001 0.000 0.305 467 N C -1.566 173.946 175.510 0.003 0.000 1.103 467 N CA -0.601 52.502 53.050 0.090 0.000 0.791 467 N CB 2.440 40.885 38.487 -0.070 0.000 1.356 467 N HN 0.302 nan 8.380 nan 0.000 0.486 468 V N 2.102 121.899 119.914 -0.195 0.000 2.483 468 V HA 0.581 4.700 4.120 -0.001 0.000 0.295 468 V C -0.654 175.201 176.094 -0.398 0.000 1.035 468 V CA -0.518 61.708 62.300 -0.123 0.000 0.896 468 V CB 0.575 32.385 31.823 -0.022 0.000 0.986 468 V HN 0.444 nan 8.190 nan 0.000 0.447 469 F N 2.068 122.026 119.950 0.014 0.000 2.593 469 F HA 0.516 5.043 4.527 -0.001 0.000 0.320 469 F C 0.213 176.017 175.800 0.006 0.000 1.060 469 F CA -0.688 57.330 58.000 0.030 0.000 0.940 469 F CB 1.872 40.908 39.000 0.060 0.000 1.268 469 F HN 0.452 nan 8.300 nan 0.000 0.475 470 N N 1.497 120.305 118.700 0.180 0.000 2.346 470 N HA 0.404 5.143 4.740 -0.001 0.000 0.289 470 N C -1.872 173.624 175.510 -0.023 0.000 1.027 470 N CA -0.713 52.327 53.050 -0.016 0.000 0.864 470 N CB 1.550 39.931 38.487 -0.178 0.000 1.370 470 N HN 0.568 nan 8.380 nan 0.000 0.481 471 L N 3.603 124.759 121.223 -0.112 0.000 2.342 471 L HA 0.244 4.583 4.340 -0.001 0.000 0.285 471 L C -0.116 176.607 176.870 -0.246 0.000 1.095 471 L CA 0.439 55.122 54.840 -0.263 0.000 0.843 471 L CB 0.139 42.060 42.059 -0.229 0.000 1.201 471 L HN 0.595 nan 8.230 nan 0.000 0.445 472 Q N 2.735 122.430 119.800 -0.175 0.000 2.527 472 Q HA 0.395 4.734 4.340 -0.001 0.000 0.220 472 Q C -0.224 175.865 176.000 0.148 0.000 1.014 472 Q CA -0.664 55.096 55.803 -0.072 0.000 0.978 472 Q CB 1.330 29.927 28.738 -0.235 0.000 1.245 472 Q HN 0.595 nan 8.270 nan 0.000 0.513 473 Q N -0.111 119.836 119.800 0.244 0.000 1.907 473 Q HA -0.029 4.310 4.340 -0.001 0.000 0.195 473 Q C 1.133 177.208 176.000 0.125 0.000 0.742 473 Q CA 0.991 56.915 55.803 0.202 0.000 0.877 473 Q CB 0.400 29.290 28.738 0.253 0.000 1.216 473 Q HN 0.963 nan 8.270 nan 0.000 0.417 474 T N -1.038 113.600 114.554 0.139 0.000 2.582 474 T HA -0.266 4.083 4.350 -0.001 0.000 0.238 474 T C 1.313 176.054 174.700 0.068 0.000 1.283 474 T CA 2.187 64.358 62.100 0.119 0.000 1.101 474 T CB -1.367 67.556 68.868 0.092 0.000 0.823 474 T HN 0.400 nan 8.240 nan 0.000 0.467 475 G N 0.353 109.174 108.800 0.036 0.000 3.452 475 G HA2 0.454 4.413 3.960 -0.001 0.000 0.258 475 G HA3 0.454 4.413 3.960 -0.001 0.000 0.258 475 G C 1.246 176.149 174.900 0.005 0.000 1.305 475 G CA 0.009 45.118 45.100 0.016 0.000 1.514 475 G HN 1.503 nan 8.290 nan 0.000 0.593 476 G N 0.085 108.897 108.800 0.020 0.000 2.480 476 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.246 476 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.246 476 G C 0.735 175.644 174.900 0.014 0.000 1.073 476 G CA 0.953 46.062 45.100 0.016 0.000 0.643 476 G HN 0.831 nan 8.290 nan 0.000 0.525 477 K N 0.561 120.942 120.400 -0.032 0.000 2.098 477 K HA 0.585 4.905 4.320 -0.001 0.000 0.258 477 K C 0.143 176.688 176.600 -0.092 0.000 0.973 477 K CA -0.944 55.260 56.287 -0.138 0.000 0.898 477 K CB 0.650 33.013 32.500 -0.229 0.000 1.057 477 K HN 0.418 nan 8.250 nan 0.000 0.447 478 Y N -0.203 120.098 120.300 0.001 0.000 2.308 478 Y HA 0.550 5.100 4.550 -0.001 0.000 0.329 478 Y C -0.600 175.254 175.900 -0.077 0.000 1.111 478 Y CA -0.697 57.389 58.100 -0.023 0.000 1.179 478 Y CB 1.314 39.762 38.460 -0.019 0.000 1.201 478 Y HN 0.349 nan 8.280 nan 0.000 0.483 479 S N 1.265 116.962 115.700 -0.005 0.000 2.596 479 S HA 0.455 4.925 4.470 -0.001 0.000 0.270 479 S C -1.878 172.625 174.600 -0.163 0.000 1.155 479 S CA -1.104 57.057 58.200 -0.064 0.000 0.827 479 S CB 0.890 64.073 63.200 -0.029 0.000 1.130 479 S HN 0.568 nan 8.310 nan 0.000 0.467 480 Y N 1.213 121.555 120.300 0.069 0.000 2.328 480 Y HA 0.649 5.199 4.550 -0.001 0.000 0.337 480 Y C -0.241 175.757 175.900 0.163 0.000 1.008 480 Y CA -0.658 57.496 58.100 0.091 0.000 1.129 480 Y CB 1.056 39.510 38.460 -0.010 0.000 1.185 480 Y HN 0.459 nan 8.280 nan 0.000 0.476 481 L N 4.480 125.874 121.223 0.285 0.000 2.329 481 L HA 0.475 4.815 4.340 -0.001 0.000 0.279 481 L C -0.467 176.505 176.870 0.171 0.000 1.014 481 L CA -0.971 53.980 54.840 0.184 0.000 0.814 481 L CB 1.369 43.430 42.059 0.003 0.000 1.257 481 L HN 0.516 nan 8.230 nan 0.000 0.424 482 K N 3.778 124.200 120.400 0.037 0.000 2.349 482 K HA 0.285 4.605 4.320 -0.001 0.000 0.289 482 K C 0.207 176.695 176.600 -0.186 0.000 1.064 482 K CA 0.029 56.113 56.287 -0.338 0.000 0.947 482 K CB 0.545 32.837 32.500 -0.347 0.000 1.007 482 K HN 0.650 nan 8.250 nan 0.000 0.478 483 V N 0.968 120.767 119.914 -0.191 0.000 3.214 483 V HA 0.513 4.632 4.120 -0.001 0.000 0.330 483 V C 0.372 176.430 176.094 -0.059 0.000 1.403 483 V CA 0.283 62.529 62.300 -0.089 0.000 1.143 483 V CB -0.138 31.641 31.823 -0.074 0.000 1.098 483 V HN 0.882 nan 8.190 nan 0.000 0.463 484 G N -0.041 108.714 108.800 -0.076 0.000 2.333 484 G HA2 0.487 4.446 3.960 -0.001 0.000 0.288 484 G HA3 0.487 4.446 3.960 -0.001 0.000 0.288 484 G C -1.196 173.760 174.900 0.093 0.000 1.286 484 G CA -0.056 45.050 45.100 0.009 0.000 0.865 484 G HN 1.308 nan 8.290 nan 0.000 0.506 485 H N -2.554 116.504 119.070 -0.020 0.000 2.917 485 H HA 0.563 5.118 4.556 -0.001 0.000 0.299 485 H C -2.384 173.056 175.328 0.188 0.000 1.418 485 H CA -1.179 54.906 56.048 0.062 0.000 1.138 485 H CB 1.160 30.934 29.762 0.019 0.000 1.830 485 H HN 1.056 nan 8.280 nan 0.000 0.514 486 W N 0.835 122.198 121.300 0.105 0.000 2.830 486 W HA 0.672 5.331 4.660 -0.001 0.000 0.335 486 W C -0.835 175.800 176.519 0.194 0.000 1.043 486 W CA 0.293 57.682 57.345 0.073 0.000 1.239 486 W CB 1.829 31.355 29.460 0.111 0.000 1.378 486 W HN 0.909 nan 8.180 nan 0.000 0.456 487 A N 3.009 125.602 122.820 -0.378 0.000 2.066 487 A HA 0.296 4.615 4.320 -0.001 0.000 0.198 487 A C 1.001 178.152 177.584 -0.722 0.000 1.405 487 A CA 0.937 52.800 52.037 -0.290 0.000 0.973 487 A CB 0.552 19.485 19.000 -0.112 0.000 1.026 487 A HN 0.671 nan 8.150 nan 0.000 0.474 488 E N -1.720 117.745 120.200 -1.226 0.000 2.145 488 E HA 0.032 4.382 4.350 -0.001 0.000 0.199 488 E C -0.368 175.684 176.600 -0.913 0.000 1.006 488 E CA 0.815 56.615 56.400 -1.000 0.000 1.418 488 E CB 0.712 30.182 29.700 -0.383 0.000 3.464 488 E HN 0.501 nan 8.360 nan 0.000 1.000 489 T N -0.641 113.391 114.554 -0.870 0.000 2.900 489 T HA 0.568 4.917 4.350 -0.001 0.000 0.295 489 T C -0.467 173.920 174.700 -0.521 0.000 1.044 489 T CA -0.868 60.954 62.100 -0.463 0.000 0.995 489 T CB 2.038 70.760 68.868 -0.243 0.000 1.072 489 T HN 0.060 nan 8.240 nan 0.000 0.473 490 L N 1.649 122.794 121.223 -0.130 0.000 2.473 490 L HA 0.677 5.016 4.340 -0.001 0.000 0.268 490 L C 0.183 176.902 176.870 -0.252 0.000 1.215 490 L CA 0.883 55.717 54.840 -0.010 0.000 0.823 490 L CB 1.126 43.223 42.059 0.064 0.000 1.099 490 L HN 1.020 nan 8.230 nan 0.000 0.483 491 S N 4.635 120.138 115.700 -0.329 0.000 2.605 491 S HA 0.725 5.195 4.470 -0.001 0.000 0.279 491 S C -1.546 172.858 174.600 -0.327 0.000 1.166 491 S CA -0.617 57.335 58.200 -0.412 0.000 0.975 491 S CB 0.208 63.013 63.200 -0.658 0.000 1.111 491 S HN 0.924 nan 8.310 nan 0.000 0.465 492 L N 1.931 123.005 121.223 -0.248 0.000 2.643 492 L HA 0.621 4.960 4.340 -0.001 0.000 0.257 492 L C -1.499 175.325 176.870 -0.077 0.000 0.922 492 L CA -0.983 53.778 54.840 -0.131 0.000 0.909 492 L CB 1.864 43.858 42.059 -0.108 0.000 1.424 492 L HN 0.567 nan 8.230 nan 0.000 0.422 493 D N 2.717 123.118 120.400 0.002 0.000 2.411 493 D HA 0.162 4.801 4.640 -0.001 0.000 0.225 493 D C 1.030 177.395 176.300 0.108 0.000 1.156 493 D CA -0.517 53.511 54.000 0.047 0.000 0.874 493 D CB 2.110 42.938 40.800 0.047 0.000 1.034 493 D HN 0.432 nan 8.370 nan 0.000 0.502 494 V N 2.335 122.361 119.914 0.187 0.000 2.660 494 V HA -0.260 3.859 4.120 -0.001 0.000 0.257 494 V C 1.688 177.943 176.094 0.269 0.000 1.088 494 V CA 1.627 64.131 62.300 0.340 0.000 1.106 494 V CB -0.401 31.722 31.823 0.500 0.000 0.686 494 V HN 0.547 nan 8.190 nan 0.000 0.481 495 D N 0.599 121.110 120.400 0.185 0.000 2.219 495 D HA -0.094 4.545 4.640 -0.001 0.000 0.205 495 D C 2.298 178.675 176.300 0.128 0.000 0.970 495 D CA 1.683 55.774 54.000 0.152 0.000 0.851 495 D CB -0.051 40.819 40.800 0.115 0.000 0.943 495 D HN 0.661 nan 8.370 nan 0.000 0.488 496 S N -0.066 115.699 115.700 0.108 0.000 2.562 496 S HA 0.060 4.529 4.470 -0.001 0.000 0.221 496 S C 1.090 175.754 174.600 0.107 0.000 0.975 496 S CA -0.232 58.031 58.200 0.105 0.000 0.918 496 S CB -0.055 63.179 63.200 0.056 0.000 0.772 496 S HN 0.113 nan 8.310 nan 0.000 0.531 497 I N 2.973 123.554 120.570 0.018 0.000 2.441 497 I HA 0.205 4.374 4.170 -0.001 0.000 0.287 497 I C -0.308 175.673 176.117 -0.226 0.000 1.049 497 I CA -0.394 60.772 61.300 -0.223 0.000 1.381 497 I CB 0.344 38.011 38.000 -0.556 0.000 1.409 497 I HN 0.132 nan 8.210 nan 0.000 0.523 498 H N 5.095 123.877 119.070 -0.480 0.000 2.597 498 H HA 0.284 4.840 4.556 -0.001 0.000 0.303 498 H C -0.775 174.265 175.328 -0.480 0.000 1.057 498 H CA -0.810 55.046 56.048 -0.319 0.000 1.261 498 H CB 0.378 30.046 29.762 -0.156 0.000 1.397 498 H HN 0.428 nan 8.280 nan 0.000 0.461 499 W N 1.121 122.440 121.300 0.031 0.000 2.166 499 W HA 0.344 5.003 4.660 -0.001 0.000 0.364 499 W C 0.757 177.290 176.519 0.023 0.000 1.344 499 W CA -0.776 56.558 57.345 -0.019 0.000 1.471 499 W CB 0.610 30.075 29.460 0.009 0.000 1.220 499 W HN 0.339 nan 8.180 nan 0.000 0.666 500 S N 1.154 117.049 115.700 0.326 0.000 2.474 500 S HA 0.447 4.916 4.470 -0.001 0.000 0.276 500 S C 0.644 175.401 174.600 0.261 0.000 1.227 500 S CA 0.472 58.856 58.200 0.306 0.000 1.050 500 S CB -0.035 63.277 63.200 0.186 0.000 0.939 500 S HN 1.050 nan 8.310 nan 0.000 0.490 501 R N 3.772 124.437 120.500 0.274 0.000 3.515 501 R HA -0.154 4.186 4.340 -0.001 0.000 0.292 501 R C 0.410 176.808 176.300 0.163 0.000 1.148 501 R CA 1.023 57.219 56.100 0.161 0.000 0.786 501 R CB -3.375 26.977 30.300 0.087 0.000 1.327 501 R HN 1.000 nan 8.270 nan 0.000 0.454 502 N N -1.529 117.309 118.700 0.231 0.000 2.628 502 N HA -0.164 4.575 4.740 -0.001 0.000 0.247 502 N C -0.154 175.464 175.510 0.179 0.000 1.157 502 N CA 1.936 55.106 53.050 0.200 0.000 0.729 502 N CB -0.745 37.816 38.487 0.123 0.000 1.083 502 N HN 1.476 nan 8.380 nan 0.000 0.554 503 S N -0.520 115.285 115.700 0.176 0.000 2.575 503 S HA 0.318 4.787 4.470 -0.001 0.000 0.278 503 S C -0.358 174.174 174.600 -0.112 0.000 1.139 503 S CA -0.622 57.616 58.200 0.063 0.000 0.954 503 S CB 1.979 65.192 63.200 0.020 0.000 1.054 503 S HN 0.122 nan 8.310 nan 0.000 0.483 504 V N 7.232 126.932 119.914 -0.356 0.000 2.486 504 V HA 0.228 4.348 4.120 -0.001 0.000 0.290 504 V C -2.206 173.579 176.094 -0.515 0.000 0.991 504 V CA -0.843 60.868 62.300 -0.981 0.000 1.142 504 V CB -0.166 31.268 31.823 -0.649 0.000 0.926 504 V HN 0.791 nan 8.190 nan 0.000 0.472 505 P HA 0.089 nan 4.420 nan 0.000 0.266 505 P C -0.582 176.758 177.300 0.067 0.000 1.186 505 P CA 0.469 63.464 63.100 -0.175 0.000 0.767 505 P CB 0.228 31.757 31.700 -0.285 0.000 0.820 506 T N 1.568 116.142 114.554 0.032 0.000 2.786 506 T HA 0.414 4.763 4.350 -0.001 0.000 0.283 506 T C -0.210 174.549 174.700 0.099 0.000 0.992 506 T CA -0.312 61.860 62.100 0.121 0.000 0.954 506 T CB 0.567 69.471 68.868 0.060 0.000 0.934 506 T HN 0.159 nan 8.240 nan 0.000 0.440 507 S N 3.765 119.600 115.700 0.225 0.000 2.216 507 S HA 0.334 4.804 4.470 -0.001 0.000 0.156 507 S C -0.727 174.047 174.600 0.290 0.000 1.665 507 S CA -0.581 57.719 58.200 0.167 0.000 1.262 507 S CB 0.040 63.231 63.200 -0.015 0.000 1.207 507 S HN 0.677 nan 8.310 nan 0.000 0.427 508 Q N 0.690 120.629 119.800 0.232 0.000 2.399 508 Q HA 0.381 4.721 4.340 -0.001 0.000 0.276 508 Q C 0.782 176.740 176.000 -0.071 0.000 1.098 508 Q CA -0.795 55.122 55.803 0.189 0.000 0.827 508 Q CB 1.508 30.376 28.738 0.216 0.000 1.386 508 Q HN 0.543 nan 8.270 nan 0.000 0.443 509 c N 0.902 119.256 118.600 -0.411 0.000 2.436 509 c HA -0.025 4.544 4.570 -0.001 0.000 0.277 509 c C 0.832 174.427 174.090 -0.826 0.000 1.241 509 c CA 0.820 56.474 56.329 -1.124 0.000 1.721 509 c CB -0.129 41.794 42.510 -0.978 0.000 2.043 509 c HN 0.740 nan 8.230 nan 0.000 0.472 510 S N 0.174 115.265 115.700 -1.016 0.000 2.607 510 S HA 0.457 4.926 4.470 -0.001 0.000 0.303 510 S C -1.161 173.021 174.600 -0.697 0.000 1.086 510 S CA -0.492 57.087 58.200 -1.035 0.000 0.995 510 S CB 1.543 63.786 63.200 -1.596 0.000 1.084 510 S HN 0.489 nan 8.310 nan 0.000 0.507 511 D N 3.234 123.419 120.400 -0.358 0.000 2.423 511 D HA 0.232 4.872 4.640 -0.001 0.000 0.238 511 D C -2.036 174.357 176.300 0.154 0.000 1.142 511 D CA -0.450 53.505 54.000 -0.076 0.000 0.884 511 D CB 0.125 40.891 40.800 -0.057 0.000 1.199 511 D HN 0.194 nan 8.370 nan 0.000 0.438 512 P HA 0.030 nan 4.420 nan 0.000 0.271 512 P C -0.424 176.987 177.300 0.186 0.000 1.218 512 P CA -0.450 62.814 63.100 0.274 0.000 0.780 512 P CB 0.576 32.358 31.700 0.136 0.000 0.901 513 c N 1.798 120.490 118.600 0.154 0.000 2.604 513 c HA 0.462 5.031 4.570 -0.001 0.000 0.396 513 c C 1.377 175.477 174.090 0.017 0.000 1.282 513 c CA -0.206 56.170 56.329 0.078 0.000 2.292 513 c CB 0.093 42.614 42.510 0.018 0.000 2.633 513 c HN 0.664 nan 8.230 nan 0.000 0.620 514 A N 4.881 127.705 122.820 0.008 0.000 2.445 514 A HA 0.397 4.716 4.320 -0.001 0.000 0.242 514 A C -0.751 176.817 177.584 -0.027 0.000 1.075 514 A CA -0.590 51.443 52.037 -0.007 0.000 0.777 514 A CB -0.024 18.972 19.000 -0.006 0.000 1.013 514 A HN 0.783 nan 8.150 nan 0.000 0.493 515 P HA -0.136 nan 4.420 nan 0.000 0.211 515 P C 0.790 178.067 177.300 -0.038 0.000 1.191 515 P CA 0.943 64.019 63.100 -0.039 0.000 0.909 515 P CB -0.173 31.510 31.700 -0.028 0.000 0.770 516 N N 0.855 119.541 118.700 -0.023 0.000 2.323 516 N HA -0.218 4.521 4.740 -0.001 0.000 0.199 516 N C 0.613 176.099 175.510 -0.039 0.000 0.986 516 N CA 2.133 55.171 53.050 -0.019 0.000 0.912 516 N CB -0.181 38.303 38.487 -0.005 0.000 0.984 516 N HN 0.487 nan 8.380 nan 0.000 0.461 517 E N -2.848 117.320 120.200 -0.053 0.000 2.142 517 E HA 0.144 4.494 4.350 -0.001 0.000 0.181 517 E C -0.041 176.508 176.600 -0.084 0.000 0.916 517 E CA -0.006 56.347 56.400 -0.078 0.000 1.337 517 E CB -0.504 29.149 29.700 -0.078 0.000 2.627 517 E HN 0.086 nan 8.360 nan 0.000 0.826 518 M N 2.299 121.860 119.600 -0.065 0.000 2.249 518 M HA 0.398 4.878 4.480 -0.001 0.000 0.351 518 M C 0.095 176.346 176.300 -0.081 0.000 1.180 518 M CA -0.390 54.875 55.300 -0.058 0.000 1.127 518 M CB 0.985 33.571 32.600 -0.023 0.000 1.546 518 M HN 0.010 nan 8.290 nan 0.000 0.461 519 K N 1.745 122.101 120.400 -0.074 0.000 2.123 519 K HA 0.364 4.684 4.320 -0.001 0.000 0.259 519 K C -0.736 175.826 176.600 -0.062 0.000 0.960 519 K CA -0.839 55.392 56.287 -0.093 0.000 0.872 519 K CB 1.467 33.923 32.500 -0.073 0.000 1.079 519 K HN 0.543 nan 8.250 nan 0.000 0.440 520 N N 3.301 121.921 118.700 -0.135 0.000 2.488 520 N HA 0.114 4.853 4.740 -0.001 0.000 0.274 520 N C -1.031 174.537 175.510 0.096 0.000 1.111 520 N CA -0.048 52.925 53.050 -0.129 0.000 0.974 520 N CB 0.555 38.754 38.487 -0.480 0.000 1.089 520 N HN 0.553 nan 8.380 nan 0.000 0.465 521 M N 3.143 122.841 119.600 0.162 0.000 2.134 521 M HA 0.207 4.687 4.480 -0.001 0.000 0.310 521 M C -0.636 175.794 176.300 0.216 0.000 0.966 521 M CA -0.670 54.730 55.300 0.166 0.000 0.922 521 M CB 1.640 34.308 32.600 0.114 0.000 1.537 521 M HN 0.307 nan 8.290 nan 0.000 0.424 522 Q N 4.472 124.363 119.800 0.152 0.000 2.314 522 Q HA 0.352 4.691 4.340 -0.001 0.000 0.257 522 Q C -1.604 174.444 176.000 0.081 0.000 0.975 522 Q CA -1.201 54.687 55.803 0.141 0.000 0.933 522 Q CB 1.177 29.951 28.738 0.059 0.000 1.195 522 Q HN 0.496 nan 8.270 nan 0.000 0.426 523 P HA 0.016 nan 4.420 nan 0.000 0.251 523 P C 0.670 177.986 177.300 0.026 0.000 1.289 523 P CA 0.449 63.575 63.100 0.044 0.000 0.676 523 P CB 0.199 31.920 31.700 0.035 0.000 1.294 524 G N -0.439 108.373 108.800 0.021 0.000 2.490 524 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.211 524 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.211 524 G C 0.706 175.616 174.900 0.018 0.000 1.159 524 G CA 0.338 45.446 45.100 0.013 0.000 0.819 524 G HN 0.610 nan 8.290 nan 0.000 0.539 525 D N 0.101 120.518 120.400 0.028 0.000 2.478 525 D HA 0.181 4.820 4.640 -0.001 0.000 0.274 525 D C 1.046 177.377 176.300 0.051 0.000 1.234 525 D CA 0.177 54.199 54.000 0.037 0.000 1.069 525 D CB 1.271 42.096 40.800 0.042 0.000 1.113 525 D HN 0.387 nan 8.370 nan 0.000 0.571 526 V N -3.864 116.087 119.914 0.063 0.000 3.070 526 V HA 0.288 4.408 4.120 -0.001 0.000 0.345 526 V C 0.603 176.773 176.094 0.127 0.000 1.403 526 V CA -0.407 61.938 62.300 0.076 0.000 1.155 526 V CB -0.716 31.134 31.823 0.044 0.000 1.140 526 V HN 0.637 nan 8.190 nan 0.000 0.505 527 c N -1.010 117.679 118.600 0.147 0.000 3.276 527 c HA 0.423 4.993 4.570 -0.001 0.000 0.512 527 c C 1.209 175.416 174.090 0.197 0.000 1.376 527 c CA 0.126 56.569 56.329 0.190 0.000 2.319 527 c CB 0.054 42.655 42.510 0.150 0.000 3.330 527 c HN 0.674 nan 8.230 nan 0.000 0.596 528 c N 1.265 119.907 118.600 0.071 0.000 2.335 528 c HA 0.785 5.355 4.570 -0.001 0.000 0.363 528 c C -0.450 173.723 174.090 0.137 0.000 1.198 528 c CA -0.385 55.876 56.329 -0.113 0.000 2.279 528 c CB -0.180 42.210 42.510 -0.201 0.000 2.334 528 c HN 0.797 nan 8.230 nan 0.000 0.559 529 W N 0.739 122.008 121.300 -0.051 0.000 2.982 529 W HA 0.724 5.383 4.660 -0.001 0.000 0.344 529 W C -1.699 174.802 176.519 -0.030 0.000 1.215 529 W CA -1.265 56.068 57.345 -0.021 0.000 1.182 529 W CB -0.127 29.340 29.460 0.011 0.000 1.437 529 W HN 0.787 nan 8.180 nan 0.000 0.570 530 I N -0.038 120.686 120.570 0.256 0.000 2.846 530 I HA 0.833 5.002 4.170 -0.001 0.000 0.307 530 I C -0.876 175.395 176.117 0.256 0.000 1.053 530 I CA -1.045 60.340 61.300 0.141 0.000 1.050 530 I CB 1.924 39.959 38.000 0.057 0.000 1.239 530 I HN 0.509 nan 8.210 nan 0.000 0.439 531 c N 5.326 124.023 118.600 0.161 0.000 2.303 531 c HA 0.598 5.168 4.570 -0.001 0.000 0.326 531 c C 0.034 174.154 174.090 0.050 0.000 1.285 531 c CA -0.480 55.923 56.329 0.124 0.000 1.675 531 c CB 0.346 42.924 42.510 0.113 0.000 2.289 531 c HN 0.442 nan 8.230 nan 0.000 0.512 532 I N 6.383 126.968 120.570 0.025 0.000 2.359 532 I HA 0.302 4.472 4.170 -0.001 0.000 0.284 532 I C -1.859 174.238 176.117 -0.033 0.000 1.018 532 I CA -2.675 58.622 61.300 -0.005 0.000 1.173 532 I CB 1.064 39.058 38.000 -0.010 0.000 1.326 532 I HN 0.382 nan 8.210 nan 0.000 0.462 533 P HA 0.103 nan 4.420 nan 0.000 0.269 533 P C -0.384 176.862 177.300 -0.091 0.000 1.215 533 P CA -0.072 62.993 63.100 -0.058 0.000 0.780 533 P CB 1.055 32.727 31.700 -0.046 0.000 0.898 534 c N 1.556 120.079 118.600 -0.128 0.000 2.345 534 c HA 0.334 4.903 4.570 -0.001 0.000 0.370 534 c C 0.629 174.564 174.090 -0.259 0.000 1.209 534 c CA -0.616 55.600 56.329 -0.189 0.000 2.133 534 c CB 0.573 42.957 42.510 -0.211 0.000 2.293 534 c HN 0.536 nan 8.230 nan 0.000 0.544 535 E N 2.655 122.618 120.200 -0.395 0.000 2.414 535 E HA 0.053 4.403 4.350 -0.001 0.000 0.263 535 E C -1.413 174.797 176.600 -0.651 0.000 1.000 535 E CA -1.305 54.737 56.400 -0.598 0.000 0.914 535 E CB 0.076 29.089 29.700 -1.144 0.000 0.948 535 E HN 0.433 nan 8.360 nan 0.000 0.444 536 P HA -0.192 nan 4.420 nan 0.000 0.219 536 P C 0.703 177.426 177.300 -0.962 0.000 1.144 536 P CA 1.526 64.371 63.100 -0.425 0.000 0.806 536 P CB -0.169 31.517 31.700 -0.024 0.000 0.771 537 Y N -1.543 118.323 120.300 -0.723 0.000 2.468 537 Y HA 0.489 5.039 4.550 -0.001 0.000 0.268 537 Y C 0.366 175.999 175.900 -0.446 0.000 1.177 537 Y CA -1.199 56.406 58.100 -0.824 0.000 1.265 537 Y CB -0.695 37.552 38.460 -0.355 0.000 1.103 537 Y HN -0.103 nan 8.280 nan 0.000 0.522 538 E N 1.049 120.935 120.200 -0.524 0.000 2.221 538 E HA 0.367 4.717 4.350 -0.001 0.000 0.268 538 E C -1.342 175.151 176.600 -0.177 0.000 0.933 538 E CA -1.283 54.952 56.400 -0.275 0.000 0.809 538 E CB 1.742 31.232 29.700 -0.349 0.000 1.190 538 E HN 0.413 nan 8.360 nan 0.000 0.406 539 Y N -0.705 119.465 120.300 -0.216 0.000 2.630 539 Y HA 0.588 5.138 4.550 -0.001 0.000 0.337 539 Y C -1.134 174.688 175.900 -0.130 0.000 1.051 539 Y CA -1.560 56.432 58.100 -0.179 0.000 1.121 539 Y CB 0.607 38.974 38.460 -0.154 0.000 1.299 539 Y HN 0.231 nan 8.280 nan 0.000 0.498 540 L N 2.933 124.024 121.223 -0.219 0.000 2.302 540 L HA 0.257 4.597 4.340 -0.001 0.000 0.285 540 L C 0.781 177.454 176.870 -0.328 0.000 1.090 540 L CA -0.267 54.391 54.840 -0.302 0.000 0.866 540 L CB 0.655 42.623 42.059 -0.152 0.000 1.244 540 L HN 0.867 nan 8.230 nan 0.000 0.435 541 V N 1.323 120.868 119.914 -0.615 0.000 2.568 541 V HA -0.169 3.950 4.120 -0.001 0.000 0.253 541 V C 0.569 176.611 176.094 -0.087 0.000 1.072 541 V CA 1.771 63.887 62.300 -0.307 0.000 1.084 541 V CB -0.984 30.668 31.823 -0.286 0.000 0.676 541 V HN 0.986 nan 8.190 nan 0.000 0.469 542 D N -3.611 116.720 120.400 -0.114 0.000 2.671 542 D HA 0.101 4.741 4.640 -0.001 0.000 0.273 542 D C 0.609 176.819 176.300 -0.151 0.000 1.264 542 D CA -0.382 53.577 54.000 -0.068 0.000 0.788 542 D CB 0.575 41.395 40.800 0.034 0.000 1.324 542 D HN -0.076 nan 8.370 nan 0.000 0.424 543 E N -0.674 119.349 120.200 -0.297 0.000 2.169 543 E HA -0.223 4.127 4.350 -0.001 0.000 0.202 543 E C 0.436 176.673 176.600 -0.605 0.000 1.016 543 E CA 1.588 57.638 56.400 -0.583 0.000 0.817 543 E CB -0.133 28.975 29.700 -0.987 0.000 0.736 543 E HN 0.531 nan 8.360 nan 0.000 0.462 544 F N -0.792 119.069 119.950 -0.149 0.000 2.678 544 F HA 0.297 4.823 4.527 -0.001 0.000 0.305 544 F C 0.089 175.813 175.800 -0.127 0.000 1.090 544 F CA -0.223 57.694 58.000 -0.140 0.000 1.272 544 F CB 0.744 39.665 39.000 -0.132 0.000 1.060 544 F HN -0.282 nan 8.300 nan 0.000 0.576 545 T N 0.655 115.227 114.554 0.031 0.000 2.879 545 T HA 0.387 4.736 4.350 -0.001 0.000 0.290 545 T C -0.898 173.701 174.700 -0.167 0.000 0.993 545 T CA -0.619 61.450 62.100 -0.051 0.000 0.975 545 T CB 1.439 70.282 68.868 -0.042 0.000 0.981 545 T HN -0.055 nan 8.240 nan 0.000 0.439 546 c N 4.181 122.679 118.600 -0.170 0.000 2.350 546 c HA 0.769 5.339 4.570 -0.001 0.000 0.348 546 c C 0.186 174.129 174.090 -0.246 0.000 1.260 546 c CA -0.623 55.559 56.329 -0.245 0.000 1.966 546 c CB 0.071 42.461 42.510 -0.199 0.000 2.380 546 c HN 0.880 nan 8.230 nan 0.000 0.535 547 M N 2.510 121.900 119.600 -0.350 0.000 2.446 547 M HA 0.293 4.773 4.480 -0.001 0.000 0.294 547 M C -1.144 175.111 176.300 -0.075 0.000 1.158 547 M CA -0.366 54.804 55.300 -0.217 0.000 0.899 547 M CB 1.651 34.098 32.600 -0.255 0.000 1.687 547 M HN 0.686 nan 8.290 nan 0.000 0.455 548 D N 2.020 122.446 120.400 0.044 0.000 2.417 548 D HA 0.067 4.707 4.640 -0.001 0.000 0.250 548 D C 0.615 177.027 176.300 0.187 0.000 1.166 548 D CA 0.099 54.194 54.000 0.158 0.000 0.881 548 D CB 0.992 41.903 40.800 0.185 0.000 1.164 548 D HN 0.664 nan 8.370 nan 0.000 0.467 549 c N 3.567 122.282 118.600 0.192 0.000 2.437 549 c HA 0.291 4.860 4.570 -0.001 0.000 0.283 549 c C 1.367 175.509 174.090 0.088 0.000 1.424 549 c CA 0.922 57.329 56.329 0.130 0.000 1.782 549 c CB -1.780 40.738 42.510 0.013 0.000 1.833 549 c HN 0.915 nan 8.230 nan 0.000 0.532 550 G N 0.630 109.487 108.800 0.095 0.000 2.756 550 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.678 550 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.678 550 G C -2.739 172.189 174.900 0.046 0.000 1.349 550 G CA -0.659 44.474 45.100 0.056 0.000 0.847 550 G HN 0.162 nan 8.290 nan 0.000 0.548 551 P HA 0.352 nan 4.420 nan 0.000 0.269 551 P C 1.230 178.559 177.300 0.048 0.000 1.209 551 P CA 1.730 64.846 63.100 0.026 0.000 0.776 551 P CB 0.680 32.386 31.700 0.009 0.000 0.876 552 G N 1.237 110.073 108.800 0.060 0.000 2.220 552 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.269 552 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.269 552 G C 0.124 175.085 174.900 0.102 0.000 0.977 552 G CA 0.239 45.380 45.100 0.068 0.000 0.634 552 G HN 0.667 nan 8.290 nan 0.000 0.539 553 Q N -1.587 118.285 119.800 0.120 0.000 2.416 553 Q HA 0.673 5.013 4.340 -0.001 0.000 0.279 553 Q C -0.878 175.255 176.000 0.222 0.000 1.101 553 Q CA -0.971 54.911 55.803 0.131 0.000 0.830 553 Q CB 2.406 31.178 28.738 0.056 0.000 1.402 553 Q HN 0.367 nan 8.270 nan 0.000 0.445 554 W N 2.241 123.430 121.300 -0.186 0.000 3.167 554 W HA 0.356 5.016 4.660 -0.001 0.000 0.324 554 W C -2.968 173.232 176.519 -0.531 0.000 1.230 554 W CA -1.769 55.407 57.345 -0.281 0.000 1.184 554 W CB 1.884 31.180 29.460 -0.273 0.000 1.414 554 W HN 0.428 nan 8.180 nan 0.000 0.551 555 P HA 0.051 nan 4.420 nan 0.000 0.275 555 P C 0.170 177.230 177.300 -0.400 0.000 1.228 555 P CA 0.415 63.247 63.100 -0.446 0.000 0.786 555 P CB 1.188 32.665 31.700 -0.372 0.000 0.927 556 T N -1.148 113.285 114.554 -0.202 0.000 2.898 556 T HA 0.258 4.608 4.350 -0.001 0.000 0.301 556 T C 1.689 176.466 174.700 0.129 0.000 1.049 556 T CA -0.022 62.133 62.100 0.090 0.000 1.095 556 T CB 0.323 69.269 68.868 0.130 0.000 0.976 556 T HN 0.433 nan 8.240 nan 0.000 0.539 557 A N 1.936 124.896 122.820 0.233 0.000 1.997 557 A HA -0.194 4.126 4.320 -0.001 0.000 0.221 557 A C 1.906 179.540 177.584 0.085 0.000 1.172 557 A CA 2.111 54.243 52.037 0.159 0.000 0.645 557 A CB -1.014 18.073 19.000 0.146 0.000 0.813 557 A HN 1.021 nan 8.150 nan 0.000 0.454 558 D N -2.258 118.183 120.400 0.069 0.000 2.339 558 D HA 0.203 4.842 4.640 -0.001 0.000 0.217 558 D C 0.600 176.916 176.300 0.026 0.000 1.050 558 D CA 0.245 54.269 54.000 0.038 0.000 0.856 558 D CB -0.257 40.563 40.800 0.033 0.000 0.922 558 D HN 0.208 nan 8.370 nan 0.000 0.518 559 L N 0.128 121.368 121.223 0.028 0.000 4.696 559 L HA -0.283 4.056 4.340 -0.001 0.000 0.425 559 L C 1.700 178.638 176.870 0.112 0.000 1.115 559 L CA 1.047 55.911 54.840 0.039 0.000 0.996 559 L CB -2.538 39.522 42.059 0.003 0.000 2.077 559 L HN 0.297 nan 8.230 nan 0.000 0.792 560 S N -2.226 113.518 115.700 0.074 0.000 2.436 560 S HA 0.439 4.909 4.470 -0.001 0.000 0.228 560 S C 1.053 175.695 174.600 0.069 0.000 1.014 560 S CA 0.727 58.983 58.200 0.094 0.000 0.950 560 S CB 0.434 63.658 63.200 0.039 0.000 0.784 560 S HN 0.758 nan 8.310 nan 0.000 0.504 561 G N -0.859 107.877 108.800 -0.108 0.000 2.815 561 G HA2 0.536 4.495 3.960 -0.001 0.000 0.305 561 G HA3 0.536 4.495 3.960 -0.001 0.000 0.305 561 G C -1.684 172.914 174.900 -0.503 0.000 1.277 561 G CA -0.314 44.524 45.100 -0.436 0.000 0.795 561 G HN 0.421 nan 8.290 nan 0.000 0.528 562 c N -0.012 118.319 118.600 -0.448 0.000 2.563 562 c HA 0.818 5.388 4.570 -0.001 0.000 0.314 562 c C -1.123 172.908 174.090 -0.098 0.000 1.199 562 c CA -0.929 55.204 56.329 -0.327 0.000 1.564 562 c CB 0.268 42.580 42.510 -0.330 0.000 2.173 562 c HN 0.724 nan 8.230 nan 0.000 0.485 563 Y N 0.337 120.644 120.300 0.011 0.000 2.524 563 Y HA 0.601 5.151 4.550 -0.001 0.000 0.344 563 Y C -0.178 175.760 175.900 0.063 0.000 1.012 563 Y CA -1.666 56.453 58.100 0.031 0.000 1.068 563 Y CB 0.248 38.734 38.460 0.044 0.000 1.249 563 Y HN 0.547 nan 8.280 nan 0.000 0.468 564 N N 2.011 120.902 118.700 0.318 0.000 2.479 564 N HA 0.206 4.945 4.740 -0.001 0.000 0.257 564 N C -0.717 174.963 175.510 0.283 0.000 1.232 564 N CA -0.111 53.072 53.050 0.222 0.000 0.920 564 N CB 0.920 39.476 38.487 0.115 0.000 1.105 564 N HN 0.695 nan 8.380 nan 0.000 0.444 565 L N 2.708 124.046 121.223 0.192 0.000 2.357 565 L HA 0.393 4.733 4.340 -0.001 0.000 0.273 565 L C -1.166 175.737 176.870 0.056 0.000 1.080 565 L CA -1.291 53.631 54.840 0.136 0.000 0.803 565 L CB 0.877 42.988 42.059 0.087 0.000 1.174 565 L HN 0.446 nan 8.230 nan 0.000 0.443 566 P HA 0.407 nan 4.420 nan 0.000 0.338 566 P C -0.793 176.498 177.300 -0.016 0.000 1.308 566 P CA -0.329 62.765 63.100 -0.010 0.000 0.753 566 P CB 0.678 32.358 31.700 -0.034 0.000 1.579 567 E N 0.000 120.187 120.200 -0.022 0.000 2.725 567 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 567 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 567 E CB 0.000 29.682 29.700 -0.031 0.000 0.812 567 E HN 0.000 nan 8.360 nan 0.000 0.440