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 1s76_1_D DATA FIRST_RESID 12 DATA SEQUENCE SDIELAAIPF NTLADHYGER LAREQLALEH ESYEMGEARF RKMFERQLKA DATA SEQUENCE GEVADNAAAK PLITTLLPKM IARINDWFEE VKAKRGKRPT AFQFLQEIKP DATA SEQUENCE EAVAYITIKT TLACLTSADN TTVQAVASAI GRAIEDEARF GRIRDLEAKH DATA SEQUENCE FKKNVEEQLN KRVGHVYKKA FMQVVEADML SKGXXXXXAW SSWHKEDSIH DATA SEQUENCE VGVRCIEMLI ESTGMVSLHR QXXXXXXXXS ETIELAPEYA EAIATRAGAL DATA SEQUENCE AGISPMFQPC VVPPKPWTGI TGGGYWANGR RPLALVRTHS KKALMRYEDV DATA SEQUENCE YMPEVYKAIN IAQNTAWKIN KKVLAVANVI TKWKHCPVED IPAIEREELP DATA SEQUENCE MXXXXXXXXX XXXTAWKRAA AAVYRKDKAR KSRRISLEFM LEQANKFANH DATA SEQUENCE KAIWFPYNMD WRGRVYAVSM FNPQGNDMTK GLLTLAKGKP IGKEGYYWLK DATA SEQUENCE IHGANCAGVD KVPFPERIKF IEENHENIMA CAKSPLENTW WAEQDSPFCF DATA SEQUENCE LAFCFEYAGV QHHGLSYNCS LPLAFDGSCS GIQHFSAMLR DEVGGRAVNL DATA SEQUENCE LPSETVQDIY GIVAKKVNEI LQADAINGTD NEXXXXXXXX XXXXXXXXXX DATA SEQUENCE GTKALAGQWL AYGVTRSVTK RSVMTLAYGS KEFGFRQQVL EDTIQPAIDS DATA SEQUENCE GKGLMFTQPN QAAGYMAKLI WESVSVTVVA AVEAMNWLKS AAKLLAAEVK DATA SEQUENCE DKKTGEILRK RCAVHWVTPD GFPVWQEYKK PIQTRLNLMF LGQFRLQPTI DATA SEQUENCE NTNKDSEIDA HKQESGIAPN FVHSQDGSHL RKTVVWAHEK YGIESFALIH DATA SEQUENCE DSFGTIPADA ANLFKAVRET MVDTYESCDV LADFYDQFAD QLHESQLDKM DATA SEQUENCE PALPAKGNLN LRDILESDFA FA 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.678 174.600 0.130 0.000 1.055 12 S CA 0.000 58.269 58.200 0.115 0.000 1.107 12 S CB 0.000 63.269 63.200 0.115 0.000 0.593 13 D N 2.279 122.731 120.400 0.086 0.000 2.855 13 D HA 0.538 5.178 4.640 -0.001 0.000 0.241 13 D C -0.412 175.923 176.300 0.060 0.000 1.277 13 D CA -0.319 53.738 54.000 0.095 0.000 0.918 13 D CB 2.290 43.145 40.800 0.091 0.000 1.462 13 D HN 0.594 nan 8.370 nan 0.000 0.559 14 I N -2.114 118.492 120.570 0.060 0.000 2.982 14 I HA 0.507 4.677 4.170 -0.001 0.000 0.312 14 I C -0.078 176.055 176.117 0.026 0.000 1.041 14 I CA -0.981 60.340 61.300 0.034 0.000 1.053 14 I CB 1.366 39.385 38.000 0.032 0.000 1.248 14 I HN -0.121 nan 8.210 nan 0.000 0.471 15 E N 2.671 122.877 120.200 0.011 0.000 2.351 15 E HA 0.096 4.445 4.350 -0.001 0.000 0.241 15 E C -0.132 176.478 176.600 0.017 0.000 1.243 15 E CA 0.649 57.053 56.400 0.006 0.000 0.963 15 E CB -0.069 29.632 29.700 0.001 0.000 1.042 15 E HN 0.617 nan 8.360 nan 0.000 0.468 16 L N 1.480 122.718 121.223 0.026 0.000 3.727 16 L HA 0.173 4.512 4.340 -0.001 0.000 0.408 16 L C 0.036 176.935 176.870 0.049 0.000 0.948 16 L CA 0.658 55.517 54.840 0.032 0.000 1.783 16 L CB -0.217 41.861 42.059 0.031 0.000 2.507 16 L HN 0.306 nan 8.230 nan 0.000 0.572 17 A N 0.651 123.513 122.820 0.069 0.000 2.639 17 A HA 0.598 4.918 4.320 -0.001 0.000 0.295 17 A C 1.095 178.735 177.584 0.094 0.000 1.443 17 A CA 0.807 52.911 52.037 0.112 0.000 1.117 17 A CB -0.395 18.717 19.000 0.188 0.000 1.098 17 A HN 0.504 nan 8.150 nan 0.000 0.552 18 A N 2.466 125.334 122.820 0.080 0.000 2.138 18 A HA 0.396 4.716 4.320 -0.001 0.000 0.203 18 A C 0.555 178.188 177.584 0.082 0.000 1.286 18 A CA 0.207 52.282 52.037 0.065 0.000 0.929 18 A CB 0.183 19.209 19.000 0.042 0.000 0.975 18 A HN 0.950 nan 8.150 nan 0.000 0.480 19 I N 1.769 122.394 120.570 0.092 0.000 2.347 19 I HA 0.476 4.645 4.170 -0.001 0.000 0.283 19 I C -2.750 173.447 176.117 0.134 0.000 1.058 19 I CA -3.073 58.287 61.300 0.099 0.000 1.202 19 I CB 0.764 38.810 38.000 0.078 0.000 1.386 19 I HN -0.097 nan 8.210 nan 0.000 0.475 20 P HA 0.063 nan 4.420 nan 0.000 0.273 20 P C 0.565 177.995 177.300 0.218 0.000 1.248 20 P CA 0.246 63.467 63.100 0.202 0.000 0.817 20 P CB 0.197 32.036 31.700 0.232 0.000 0.995 21 F N -1.329 118.615 119.950 -0.010 0.000 2.583 21 F HA -0.439 4.088 4.527 -0.001 0.000 0.659 21 F C 1.573 177.344 175.800 -0.049 0.000 0.489 21 F CA 2.632 60.610 58.000 -0.037 0.000 0.707 21 F CB -1.656 37.335 39.000 -0.014 0.000 1.607 21 F HN 0.292 nan 8.300 nan 0.000 0.260 22 N N -0.060 118.694 118.700 0.091 0.000 2.120 22 N HA -0.095 4.645 4.740 -0.001 0.000 0.188 22 N C 1.562 177.004 175.510 -0.113 0.000 1.024 22 N CA 2.149 55.196 53.050 -0.005 0.000 0.852 22 N CB -0.724 37.812 38.487 0.081 0.000 1.003 22 N HN 0.611 nan 8.380 nan 0.000 0.424 23 T N 1.965 116.471 114.554 -0.080 0.000 2.812 23 T HA 0.095 4.444 4.350 -0.001 0.000 0.264 23 T C 2.182 176.722 174.700 -0.265 0.000 1.042 23 T CA 0.439 62.483 62.100 -0.093 0.000 1.140 23 T CB -0.088 68.783 68.868 0.005 0.000 0.870 23 T HN 0.094 nan 8.240 nan 0.000 0.445 24 L N 0.729 121.701 121.223 -0.418 0.000 2.005 24 L HA -0.057 4.283 4.340 -0.001 0.000 0.207 24 L C 3.098 179.745 176.870 -0.372 0.000 1.072 24 L CA 1.324 55.856 54.840 -0.514 0.000 0.744 24 L CB -0.768 40.992 42.059 -0.499 0.000 0.895 24 L HN 0.233 nan 8.230 nan 0.000 0.433 25 A N 0.765 123.306 122.820 -0.465 0.000 1.851 25 A HA -0.256 4.063 4.320 -0.001 0.000 0.216 25 A C 1.785 179.206 177.584 -0.271 0.000 1.195 25 A CA 1.970 53.753 52.037 -0.423 0.000 0.622 25 A CB -0.844 17.745 19.000 -0.684 0.000 0.831 25 A HN 0.636 nan 8.150 nan 0.000 0.444 26 D N -2.389 117.857 120.400 -0.257 0.000 2.348 26 D HA -0.119 4.521 4.640 -0.001 0.000 0.248 26 D C 0.971 177.093 176.300 -0.297 0.000 1.142 26 D CA 0.755 54.623 54.000 -0.222 0.000 0.904 26 D CB -0.375 40.312 40.800 -0.187 0.000 0.901 26 D HN 0.628 nan 8.370 nan 0.000 0.523 27 H N -1.391 117.450 119.070 -0.383 0.000 2.602 27 H HA 0.064 4.619 4.556 -0.001 0.000 0.222 27 H C 0.140 175.087 175.328 -0.635 0.000 0.886 27 H CA 0.408 56.100 56.048 -0.593 0.000 1.008 27 H CB 0.720 29.945 29.762 -0.896 0.000 1.380 27 H HN 0.066 nan 8.280 nan 0.000 0.417 28 Y N 0.023 120.279 120.300 -0.073 0.000 2.626 28 Y HA 0.446 4.995 4.550 -0.001 0.000 0.248 28 Y C 0.846 176.684 175.900 -0.102 0.000 1.147 28 Y CA 0.145 58.186 58.100 -0.098 0.000 1.219 28 Y CB 1.142 39.502 38.460 -0.167 0.000 1.279 28 Y HN 0.275 nan 8.280 nan 0.000 0.541 29 G N 1.657 110.447 108.800 -0.017 0.000 2.879 29 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.686 29 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.686 29 G C 0.558 175.394 174.900 -0.107 0.000 1.115 29 G CA -0.193 44.877 45.100 -0.049 0.000 0.770 29 G HN 0.485 nan 8.290 nan 0.000 0.601 30 E N 1.101 121.212 120.200 -0.148 0.000 2.472 30 E HA -0.086 4.264 4.350 -0.001 0.000 0.200 30 E C 2.056 178.638 176.600 -0.031 0.000 1.046 30 E CA 0.838 57.114 56.400 -0.208 0.000 0.871 30 E CB 0.149 29.779 29.700 -0.116 0.000 0.806 30 E HN 0.441 nan 8.360 nan 0.000 0.533 31 R N 1.028 121.527 120.500 -0.001 0.000 2.093 31 R HA 0.052 4.392 4.340 -0.001 0.000 0.224 31 R C 1.939 178.267 176.300 0.047 0.000 1.101 31 R CA 0.854 56.976 56.100 0.037 0.000 0.979 31 R CB -0.204 30.113 30.300 0.028 0.000 0.877 31 R HN 0.374 nan 8.270 nan 0.000 0.441 32 L N -0.029 121.212 121.223 0.030 0.000 2.307 32 L HA 0.103 4.443 4.340 -0.001 0.000 0.211 32 L C 2.448 179.328 176.870 0.017 0.000 1.099 32 L CA 0.661 55.528 54.840 0.044 0.000 0.816 32 L CB -0.215 41.865 42.059 0.036 0.000 0.952 32 L HN 0.142 nan 8.230 nan 0.000 0.455 33 A N 0.332 123.124 122.820 -0.047 0.000 1.902 33 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 33 A C 2.326 179.948 177.584 0.064 0.000 1.181 33 A CA 1.380 53.349 52.037 -0.113 0.000 0.623 33 A CB -0.365 18.387 19.000 -0.414 0.000 0.818 33 A HN 0.297 nan 8.150 nan 0.000 0.443 34 R N -0.748 119.845 120.500 0.155 0.000 2.066 34 R HA -0.144 4.196 4.340 -0.001 0.000 0.232 34 R C 2.349 178.743 176.300 0.156 0.000 1.131 34 R CA 1.532 57.775 56.100 0.238 0.000 0.955 34 R CB -0.365 30.075 30.300 0.233 0.000 0.851 34 R HN 0.801 nan 8.270 nan 0.000 0.432 35 E N 0.806 121.087 120.200 0.135 0.000 2.049 35 E HA -0.324 4.026 4.350 -0.001 0.000 0.198 35 E C 2.072 178.773 176.600 0.168 0.000 1.007 35 E CA 1.728 58.219 56.400 0.152 0.000 0.809 35 E CB 0.015 29.823 29.700 0.180 0.000 0.749 35 E HN 0.090 nan 8.360 nan 0.000 0.450 36 Q N 0.347 120.236 119.800 0.149 0.000 1.998 36 Q HA -0.207 4.133 4.340 -0.001 0.000 0.209 36 Q C 2.115 178.230 176.000 0.192 0.000 1.002 36 Q CA 1.901 57.803 55.803 0.165 0.000 0.858 36 Q CB -0.731 28.062 28.738 0.093 0.000 0.932 36 Q HN 0.378 nan 8.270 nan 0.000 0.416 37 L N 0.296 121.624 121.223 0.176 0.000 2.081 37 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 37 L C 2.373 179.339 176.870 0.160 0.000 1.080 37 L CA 2.091 57.039 54.840 0.180 0.000 0.754 37 L CB -1.949 40.218 42.059 0.179 0.000 0.893 37 L HN 0.406 nan 8.230 nan 0.000 0.433 38 A N -0.898 122.007 122.820 0.142 0.000 1.908 38 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 38 A C 2.425 180.119 177.584 0.183 0.000 1.181 38 A CA 1.630 53.744 52.037 0.128 0.000 0.627 38 A CB -0.658 18.407 19.000 0.109 0.000 0.818 38 A HN 0.384 nan 8.150 nan 0.000 0.445 39 L N -0.710 120.625 121.223 0.186 0.000 2.005 39 L HA -0.201 4.138 4.340 -0.001 0.000 0.207 39 L C 2.730 179.695 176.870 0.158 0.000 1.072 39 L CA 1.697 56.653 54.840 0.193 0.000 0.744 39 L CB -0.597 41.607 42.059 0.241 0.000 0.895 39 L HN 0.505 nan 8.230 nan 0.000 0.433 40 E N -0.886 119.405 120.200 0.152 0.000 2.070 40 E HA -0.324 4.025 4.350 -0.001 0.000 0.197 40 E C 2.068 178.713 176.600 0.075 0.000 1.004 40 E CA 1.546 57.981 56.400 0.059 0.000 0.805 40 E CB -0.435 29.330 29.700 0.107 0.000 0.744 40 E HN 0.543 nan 8.360 nan 0.000 0.451 41 H N 1.112 120.207 119.070 0.041 0.000 2.387 41 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 41 H C 2.004 177.383 175.328 0.085 0.000 1.090 41 H CA 1.746 57.818 56.048 0.040 0.000 1.332 41 H CB 0.191 29.966 29.762 0.021 0.000 1.386 41 H HN 0.255 nan 8.280 nan 0.000 0.516 42 E N 0.140 120.409 120.200 0.116 0.000 2.072 42 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 42 E C 2.325 178.916 176.600 -0.016 0.000 0.985 42 E CA 0.940 57.371 56.400 0.051 0.000 0.801 42 E CB 0.180 29.947 29.700 0.111 0.000 0.750 42 E HN 0.359 nan 8.360 nan 0.000 0.452 43 S N 0.055 115.749 115.700 -0.010 0.000 2.374 43 S HA -0.216 4.253 4.470 -0.001 0.000 0.227 43 S C 1.618 176.121 174.600 -0.161 0.000 1.037 43 S CA 1.457 59.604 58.200 -0.089 0.000 1.024 43 S CB -0.526 62.574 63.200 -0.167 0.000 0.861 43 S HN 0.452 nan 8.310 nan 0.000 0.456 44 Y N 2.120 122.256 120.300 -0.273 0.000 2.242 44 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 44 Y C 2.497 178.246 175.900 -0.252 0.000 1.137 44 Y CA 1.886 59.818 58.100 -0.281 0.000 1.181 44 Y CB -0.257 38.045 38.460 -0.264 0.000 0.989 44 Y HN 0.375 nan 8.280 nan 0.000 0.527 45 E N -0.034 120.084 120.200 -0.137 0.000 2.028 45 E HA -0.241 4.109 4.350 -0.001 0.000 0.191 45 E C 2.064 178.596 176.600 -0.113 0.000 0.988 45 E CA 1.705 58.019 56.400 -0.144 0.000 0.799 45 E CB -0.348 29.270 29.700 -0.137 0.000 0.755 45 E HN 0.539 nan 8.360 nan 0.000 0.447 46 M N 0.782 120.334 119.600 -0.080 0.000 2.202 46 M HA -0.073 4.407 4.480 -0.001 0.000 0.262 46 M C 2.325 178.579 176.300 -0.077 0.000 1.063 46 M CA 1.516 56.791 55.300 -0.042 0.000 1.097 46 M CB -0.441 32.163 32.600 0.007 0.000 1.382 46 M HN 0.312 nan 8.290 nan 0.000 0.413 47 G N 0.539 109.241 108.800 -0.162 0.000 2.552 47 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.216 47 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.216 47 G C 1.250 176.060 174.900 -0.151 0.000 1.240 47 G CA 0.900 45.879 45.100 -0.202 0.000 0.796 47 G HN 0.486 nan 8.290 nan 0.000 0.568 48 E N 0.711 120.762 120.200 -0.248 0.000 2.147 48 E HA -0.197 4.153 4.350 -0.001 0.000 0.199 48 E C 2.890 179.498 176.600 0.013 0.000 1.005 48 E CA 0.810 57.130 56.400 -0.134 0.000 0.810 48 E CB -0.238 29.333 29.700 -0.215 0.000 0.736 48 E HN 0.410 nan 8.360 nan 0.000 0.460 49 A N 2.059 124.866 122.820 -0.022 0.000 1.858 49 A HA -0.258 4.062 4.320 -0.001 0.000 0.216 49 A C 2.161 179.766 177.584 0.035 0.000 1.190 49 A CA 2.067 54.110 52.037 0.010 0.000 0.617 49 A CB -0.613 18.388 19.000 0.001 0.000 0.827 49 A HN 0.271 nan 8.150 nan 0.000 0.443 50 R N -1.578 118.941 120.500 0.031 0.000 2.127 50 R HA -0.133 4.207 4.340 -0.001 0.000 0.238 50 R C 1.758 178.110 176.300 0.086 0.000 1.134 50 R CA 1.942 58.067 56.100 0.042 0.000 0.975 50 R CB -0.822 29.492 30.300 0.024 0.000 0.865 50 R HN 0.404 nan 8.270 nan 0.000 0.447 51 F N 1.460 121.381 119.950 -0.049 0.000 2.022 51 F HA -0.002 4.525 4.527 0.000 0.000 0.293 51 F C 2.197 178.014 175.800 0.029 0.000 1.142 51 F CA 1.306 59.291 58.000 -0.026 0.000 1.177 51 F CB -0.346 38.604 39.000 -0.084 0.000 0.982 51 F HN -0.138 nan 8.300 nan 0.000 0.473 52 R N 1.088 121.599 120.500 0.018 0.000 2.136 52 R HA -0.279 4.060 4.340 -0.001 0.000 0.242 52 R C 2.297 178.583 176.300 -0.022 0.000 1.131 52 R CA 2.009 58.089 56.100 -0.034 0.000 0.937 52 R CB -1.369 28.949 30.300 0.030 0.000 0.863 52 R HN 0.387 nan 8.270 nan 0.000 0.435 53 K N 0.272 120.667 120.400 -0.008 0.000 2.077 53 K HA -0.212 4.107 4.320 -0.001 0.000 0.213 53 K C 2.180 178.759 176.600 -0.036 0.000 1.051 53 K CA 2.098 58.379 56.287 -0.009 0.000 0.929 53 K CB -0.168 32.332 32.500 0.001 0.000 0.715 53 K HN 0.180 nan 8.250 nan 0.000 0.451 54 M N -0.309 119.249 119.600 -0.069 0.000 2.098 54 M HA -0.119 4.360 4.480 -0.001 0.000 0.262 54 M C 1.942 178.161 176.300 -0.136 0.000 1.072 54 M CA 1.474 56.718 55.300 -0.094 0.000 1.133 54 M CB -0.241 32.303 32.600 -0.093 0.000 1.344 54 M HN 0.213 nan 8.290 nan 0.000 0.414 55 F N 1.425 121.122 119.950 -0.422 0.000 2.411 55 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 55 F C 1.616 177.284 175.800 -0.219 0.000 1.077 55 F CA 1.804 59.556 58.000 -0.414 0.000 1.439 55 F CB -0.032 38.571 39.000 -0.661 0.000 1.085 55 F HN 0.339 nan 8.300 nan 0.000 0.564 56 E N -0.223 119.927 120.200 -0.083 0.000 2.099 56 E HA -0.101 4.248 4.350 -0.001 0.000 0.191 56 E C 2.077 178.599 176.600 -0.130 0.000 0.962 56 E CA 0.641 56.986 56.400 -0.091 0.000 0.826 56 E CB -0.082 29.617 29.700 -0.003 0.000 0.788 56 E HN 0.346 nan 8.360 nan 0.000 0.461 57 R N 1.318 121.759 120.500 -0.099 0.000 2.200 57 R HA -0.143 4.196 4.340 -0.001 0.000 0.234 57 R C 1.718 177.948 176.300 -0.116 0.000 1.127 57 R CA 1.436 57.485 56.100 -0.085 0.000 0.989 57 R CB -0.526 29.741 30.300 -0.055 0.000 0.869 57 R HN 0.185 nan 8.270 nan 0.000 0.459 58 Q N -0.300 119.399 119.800 -0.169 0.000 2.250 58 Q HA 0.089 4.428 4.340 -0.001 0.000 0.200 58 Q C 1.821 177.675 176.000 -0.243 0.000 0.941 58 Q CA 0.718 56.407 55.803 -0.191 0.000 0.872 58 Q CB -0.038 28.574 28.738 -0.209 0.000 0.965 58 Q HN 0.272 nan 8.270 nan 0.000 0.480 59 L N 1.316 122.348 121.223 -0.318 0.000 2.005 59 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 59 L C 1.047 177.805 176.870 -0.187 0.000 1.072 59 L CA 1.820 56.474 54.840 -0.309 0.000 0.744 59 L CB -0.003 41.835 42.059 -0.368 0.000 0.895 59 L HN -0.094 nan 8.230 nan 0.000 0.433 60 K N -0.353 119.958 120.400 -0.148 0.000 2.790 60 K HA 0.277 4.597 4.320 -0.001 0.000 0.229 60 K C 0.314 176.852 176.600 -0.102 0.000 1.040 60 K CA 0.473 56.698 56.287 -0.103 0.000 1.211 60 K CB -0.102 32.353 32.500 -0.076 0.000 1.002 60 K HN 0.379 nan 8.250 nan 0.000 0.479 61 A N 0.062 122.806 122.820 -0.127 0.000 2.474 61 A HA 0.292 4.611 4.320 -0.001 0.000 0.249 61 A C 0.553 178.040 177.584 -0.163 0.000 0.891 61 A CA -0.087 51.873 52.037 -0.128 0.000 1.135 61 A CB 0.129 19.060 19.000 -0.114 0.000 1.191 61 A HN 0.273 nan 8.150 nan 0.000 0.471 62 G N 0.622 109.327 108.800 -0.159 0.000 2.290 62 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.270 62 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.270 62 G C 0.052 174.830 174.900 -0.203 0.000 0.891 62 G CA 0.897 45.894 45.100 -0.171 0.000 1.321 62 G HN 0.689 nan 8.290 nan 0.000 0.425 63 E N -0.304 119.783 120.200 -0.187 0.000 2.904 63 E HA 0.093 4.443 4.350 -0.001 0.000 0.162 63 E C 1.755 178.270 176.600 -0.142 0.000 0.909 63 E CA -0.066 56.237 56.400 -0.161 0.000 1.368 63 E CB 0.329 29.941 29.700 -0.147 0.000 1.007 63 E HN 0.291 nan 8.360 nan 0.000 0.451 64 V N 0.773 120.584 119.914 -0.172 0.000 2.392 64 V HA -0.293 3.826 4.120 -0.001 0.000 0.249 64 V C 2.502 178.546 176.094 -0.084 0.000 1.059 64 V CA 2.336 64.527 62.300 -0.182 0.000 1.051 64 V CB -0.637 31.078 31.823 -0.180 0.000 0.658 64 V HN 0.421 nan 8.190 nan 0.000 0.455 65 A N -0.148 122.631 122.820 -0.068 0.000 2.024 65 A HA -0.260 4.059 4.320 -0.001 0.000 0.220 65 A C 1.978 179.595 177.584 0.055 0.000 1.164 65 A CA 1.994 54.022 52.037 -0.014 0.000 0.643 65 A CB -0.504 18.455 19.000 -0.068 0.000 0.806 65 A HN 0.596 nan 8.150 nan 0.000 0.451 66 D N -0.553 119.871 120.400 0.040 0.000 2.194 66 D HA -0.046 4.594 4.640 -0.001 0.000 0.204 66 D C 0.676 177.022 176.300 0.077 0.000 0.964 66 D CA 0.312 54.360 54.000 0.080 0.000 0.846 66 D CB -0.362 40.483 40.800 0.075 0.000 0.962 66 D HN 0.526 nan 8.370 nan 0.000 0.490 67 N N 0.188 118.917 118.700 0.048 0.000 2.492 67 N HA 0.106 4.846 4.740 -0.001 0.000 0.262 67 N C 0.957 176.562 175.510 0.159 0.000 1.202 67 N CA 0.032 53.145 53.050 0.104 0.000 0.926 67 N CB 1.125 39.666 38.487 0.090 0.000 1.078 67 N HN -0.113 nan 8.380 nan 0.000 0.454 68 A N 3.346 126.284 122.820 0.195 0.000 2.084 68 A HA -0.162 4.157 4.320 -0.001 0.000 0.221 68 A C 2.062 179.753 177.584 0.178 0.000 1.161 68 A CA 1.832 53.972 52.037 0.172 0.000 0.653 68 A CB -1.022 18.080 19.000 0.169 0.000 0.802 68 A HN 0.807 nan 8.150 nan 0.000 0.457 69 A N -0.644 122.327 122.820 0.251 0.000 2.019 69 A HA 0.218 4.537 4.320 -0.001 0.000 0.219 69 A C 2.304 179.991 177.584 0.172 0.000 1.164 69 A CA 1.871 54.050 52.037 0.237 0.000 0.644 69 A CB -0.551 18.672 19.000 0.372 0.000 0.805 69 A HN 0.988 nan 8.150 nan 0.000 0.449 70 A N -0.489 122.420 122.820 0.149 0.000 1.956 70 A HA 0.106 4.425 4.320 -0.001 0.000 0.212 70 A C 1.939 179.565 177.584 0.070 0.000 1.188 70 A CA 0.976 53.068 52.037 0.093 0.000 0.675 70 A CB -0.235 18.804 19.000 0.065 0.000 0.845 70 A HN 0.428 nan 8.150 nan 0.000 0.455 71 K N 0.200 120.653 120.400 0.088 0.000 2.097 71 K HA -0.186 4.134 4.320 -0.001 0.000 0.214 71 K C -0.755 175.881 176.600 0.060 0.000 1.052 71 K CA 1.979 58.316 56.287 0.083 0.000 0.932 71 K CB -1.235 31.320 32.500 0.091 0.000 0.716 71 K HN 0.460 nan 8.250 nan 0.000 0.455 72 P HA -0.174 nan 4.420 nan 0.000 0.221 72 P C 1.345 178.652 177.300 0.012 0.000 1.145 72 P CA 1.126 64.248 63.100 0.037 0.000 0.795 72 P CB 0.133 31.859 31.700 0.043 0.000 0.775 73 L N -0.624 120.598 121.223 -0.002 0.000 2.130 73 L HA 0.028 4.368 4.340 -0.001 0.000 0.200 73 L C 2.453 179.282 176.870 -0.068 0.000 1.075 73 L CA 1.259 56.058 54.840 -0.068 0.000 0.768 73 L CB -1.274 40.731 42.059 -0.090 0.000 0.933 73 L HN -0.271 nan 8.230 nan 0.000 0.451 74 I N 0.586 121.144 120.570 -0.020 0.000 2.113 74 I HA -0.390 3.779 4.170 -0.001 0.000 0.242 74 I C 2.585 178.720 176.117 0.029 0.000 1.057 74 I CA 2.263 63.571 61.300 0.013 0.000 1.314 74 I CB -2.082 35.966 38.000 0.081 0.000 1.022 74 I HN 0.499 nan 8.210 nan 0.000 0.408 75 T N -1.914 112.666 114.554 0.043 0.000 2.721 75 T HA -0.213 4.137 4.350 -0.001 0.000 0.268 75 T C 1.715 176.427 174.700 0.021 0.000 1.038 75 T CA 2.230 64.358 62.100 0.046 0.000 1.145 75 T CB -1.086 67.806 68.868 0.040 0.000 0.858 75 T HN 0.316 nan 8.240 nan 0.000 0.459 76 T N 1.672 116.219 114.554 -0.011 0.000 2.985 76 T HA 0.286 4.635 4.350 -0.001 0.000 0.266 76 T C 1.729 176.402 174.700 -0.044 0.000 1.076 76 T CA 0.682 62.765 62.100 -0.028 0.000 1.135 76 T CB -0.192 68.644 68.868 -0.053 0.000 0.890 76 T HN 0.358 nan 8.240 nan 0.000 0.480 77 L N -0.099 121.085 121.223 -0.066 0.000 2.556 77 L HA 0.292 4.631 4.340 -0.001 0.000 0.226 77 L C 2.057 178.917 176.870 -0.016 0.000 1.089 77 L CA 0.023 54.823 54.840 -0.067 0.000 0.864 77 L CB -0.273 41.708 42.059 -0.131 0.000 1.067 77 L HN 0.163 nan 8.230 nan 0.000 0.477 78 L N 1.496 122.730 121.223 0.018 0.000 1.994 78 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 78 L C -0.442 176.465 176.870 0.062 0.000 1.071 78 L CA 2.235 57.113 54.840 0.062 0.000 0.745 78 L CB -1.177 40.956 42.059 0.123 0.000 0.892 78 L HN 0.051 nan 8.230 nan 0.000 0.431 79 P HA -0.170 nan 4.420 nan 0.000 0.215 79 P C 1.384 178.705 177.300 0.035 0.000 1.157 79 P CA 1.597 64.725 63.100 0.048 0.000 0.863 79 P CB -0.046 31.677 31.700 0.038 0.000 0.787 80 K N -1.286 119.128 120.400 0.023 0.000 2.113 80 K HA -0.162 4.157 4.320 -0.001 0.000 0.208 80 K C 2.099 178.705 176.600 0.011 0.000 1.047 80 K CA 1.355 57.652 56.287 0.017 0.000 0.928 80 K CB -0.495 32.012 32.500 0.011 0.000 0.716 80 K HN 0.101 nan 8.250 nan 0.000 0.446 81 M N 0.790 120.395 119.600 0.007 0.000 2.066 81 M HA -0.130 4.349 4.480 -0.001 0.000 0.259 81 M C 2.207 178.509 176.300 0.003 0.000 1.074 81 M CA 1.636 56.933 55.300 -0.005 0.000 1.114 81 M CB -0.755 31.843 32.600 -0.005 0.000 1.306 81 M HN 0.101 nan 8.290 nan 0.000 0.411 82 I N -0.136 120.454 120.570 0.034 0.000 2.657 82 I HA -0.221 3.948 4.170 -0.001 0.000 0.261 82 I C 2.013 178.158 176.117 0.046 0.000 1.212 82 I CA 0.878 62.210 61.300 0.054 0.000 1.453 82 I CB -0.714 37.337 38.000 0.085 0.000 1.092 82 I HN 0.210 nan 8.210 nan 0.000 0.452 83 A N 0.265 123.105 122.820 0.034 0.000 2.275 83 A HA 0.071 4.391 4.320 -0.001 0.000 0.212 83 A C 2.240 179.839 177.584 0.024 0.000 1.201 83 A CA 0.398 52.456 52.037 0.035 0.000 0.843 83 A CB -0.169 18.850 19.000 0.033 0.000 0.873 83 A HN 0.305 nan 8.150 nan 0.000 0.492 84 R N -0.954 119.547 120.500 0.002 0.000 2.369 84 R HA 0.303 4.643 4.340 -0.001 0.000 0.210 84 R C 1.389 177.660 176.300 -0.049 0.000 0.881 84 R CA 0.322 56.415 56.100 -0.012 0.000 1.031 84 R CB -0.047 30.235 30.300 -0.029 0.000 1.184 84 R HN 0.312 nan 8.270 nan 0.000 0.581 85 I N 1.160 121.677 120.570 -0.087 0.000 2.202 85 I HA -0.182 3.988 4.170 -0.001 0.000 0.242 85 I C 1.171 177.043 176.117 -0.408 0.000 1.091 85 I CA 1.600 62.763 61.300 -0.229 0.000 1.368 85 I CB -1.169 36.757 38.000 -0.124 0.000 1.058 85 I HN 0.287 nan 8.210 nan 0.000 0.410 86 N N 0.916 119.561 118.700 -0.093 0.000 2.080 86 N HA -0.200 4.540 4.740 -0.001 0.000 0.189 86 N C 1.313 176.886 175.510 0.104 0.000 1.036 86 N CA 1.457 54.578 53.050 0.118 0.000 0.846 86 N CB -0.220 38.376 38.487 0.182 0.000 1.015 86 N HN 0.310 nan 8.380 nan 0.000 0.423 87 D N 0.073 120.519 120.400 0.077 0.000 2.203 87 D HA -0.199 4.441 4.640 -0.001 0.000 0.199 87 D C 1.369 177.751 176.300 0.136 0.000 0.997 87 D CA 0.773 54.832 54.000 0.098 0.000 0.863 87 D CB -0.129 40.718 40.800 0.078 0.000 0.928 87 D HN 0.413 nan 8.370 nan 0.000 0.458 88 W N 0.678 121.909 121.300 -0.114 0.000 2.378 88 W HA -0.148 4.512 4.660 -0.001 0.000 0.313 88 W C 1.544 178.109 176.519 0.076 0.000 1.197 88 W CA 1.041 58.333 57.345 -0.089 0.000 1.304 88 W CB -0.687 28.635 29.460 -0.231 0.000 1.148 88 W HN -0.127 nan 8.180 nan 0.000 0.494 89 F N 1.460 121.494 119.950 0.140 0.000 2.008 89 F HA -0.280 4.246 4.527 -0.001 0.000 0.297 89 F C 2.489 178.305 175.800 0.026 0.000 1.156 89 F CA 2.278 60.322 58.000 0.075 0.000 1.191 89 F CB -1.630 37.443 39.000 0.121 0.000 0.955 89 F HN -0.027 nan 8.300 nan 0.000 0.497 90 E N -0.410 119.951 120.200 0.269 0.000 2.169 90 E HA -0.317 4.033 4.350 -0.001 0.000 0.202 90 E C 2.076 178.699 176.600 0.038 0.000 1.016 90 E CA 1.793 58.269 56.400 0.127 0.000 0.817 90 E CB -0.314 29.452 29.700 0.109 0.000 0.736 90 E HN 0.347 nan 8.360 nan 0.000 0.462 91 E N 0.520 120.731 120.200 0.019 0.000 2.152 91 E HA -0.104 4.246 4.350 -0.001 0.000 0.192 91 E C 1.833 178.362 176.600 -0.119 0.000 0.983 91 E CA 0.556 56.939 56.400 -0.028 0.000 0.818 91 E CB 0.119 29.829 29.700 0.015 0.000 0.758 91 E HN 0.033 nan 8.360 nan 0.000 0.467 92 V N 0.806 120.580 119.914 -0.234 0.000 3.141 92 V HA -0.106 4.013 4.120 -0.001 0.000 0.265 92 V C 1.813 177.713 176.094 -0.324 0.000 1.126 92 V CA 1.460 63.533 62.300 -0.377 0.000 1.141 92 V CB -0.363 31.062 31.823 -0.663 0.000 0.743 92 V HN 0.214 nan 8.190 nan 0.000 0.492 93 K N 0.649 120.932 120.400 -0.194 0.000 2.186 93 K HA 0.129 4.448 4.320 -0.001 0.000 0.202 93 K C 2.251 178.782 176.600 -0.116 0.000 1.052 93 K CA 1.051 57.243 56.287 -0.158 0.000 0.965 93 K CB -0.190 32.270 32.500 -0.066 0.000 0.746 93 K HN 0.426 nan 8.250 nan 0.000 0.457 94 A N 1.997 124.765 122.820 -0.087 0.000 2.067 94 A HA -0.093 4.226 4.320 -0.001 0.000 0.219 94 A C 0.559 178.099 177.584 -0.074 0.000 1.158 94 A CA 0.810 52.810 52.037 -0.062 0.000 0.661 94 A CB -0.214 18.763 19.000 -0.039 0.000 0.801 94 A HN 0.139 nan 8.150 nan 0.000 0.452 95 K N 1.369 121.708 120.400 -0.103 0.000 2.378 95 K HA 0.122 4.442 4.320 -0.001 0.000 0.288 95 K C -0.334 176.203 176.600 -0.104 0.000 1.057 95 K CA -0.198 56.028 56.287 -0.101 0.000 0.971 95 K CB 0.437 32.860 32.500 -0.127 0.000 0.975 95 K HN 0.118 nan 8.250 nan 0.000 0.475 96 R N 2.934 123.388 120.500 -0.076 0.000 3.701 96 R HA 0.146 4.486 4.340 -0.001 0.000 0.210 96 R C 0.316 176.575 176.300 -0.070 0.000 1.598 96 R CA -0.052 56.006 56.100 -0.070 0.000 1.427 96 R CB 0.163 30.432 30.300 -0.051 0.000 1.339 96 R HN 0.988 nan 8.270 nan 0.000 0.720 97 G N 0.101 108.847 108.800 -0.089 0.000 2.725 97 G HA2 0.028 3.988 3.960 -0.001 0.000 0.098 97 G HA3 0.028 3.988 3.960 -0.001 0.000 0.098 97 G C -1.239 173.602 174.900 -0.100 0.000 1.188 97 G CA -0.554 44.498 45.100 -0.079 0.000 1.237 97 G HN 0.201 nan 8.290 nan 0.000 0.596 98 K N 0.667 121.015 120.400 -0.087 0.000 2.098 98 K HA 0.671 4.991 4.320 -0.001 0.000 0.258 98 K C -0.435 176.093 176.600 -0.120 0.000 0.973 98 K CA -0.538 55.692 56.287 -0.095 0.000 0.898 98 K CB 1.013 33.478 32.500 -0.058 0.000 1.057 98 K HN 0.421 nan 8.250 nan 0.000 0.447 99 R N 3.076 123.488 120.500 -0.146 0.000 2.514 99 R HA 0.338 4.678 4.340 -0.001 0.000 0.301 99 R C -2.442 173.834 176.300 -0.040 0.000 0.962 99 R CA -2.113 53.881 56.100 -0.177 0.000 0.882 99 R CB 1.362 31.427 30.300 -0.392 0.000 1.143 99 R HN 0.514 nan 8.270 nan 0.000 0.452 100 P HA -0.068 nan 4.420 nan 0.000 0.265 100 P C 0.780 178.205 177.300 0.207 0.000 1.187 100 P CA 0.222 63.421 63.100 0.166 0.000 0.766 100 P CB 0.604 32.480 31.700 0.293 0.000 0.820 101 T N -0.328 114.336 114.554 0.183 0.000 2.969 101 T HA -0.213 4.136 4.350 -0.001 0.000 0.271 101 T C 1.581 176.426 174.700 0.241 0.000 1.127 101 T CA 1.165 63.361 62.100 0.161 0.000 1.102 101 T CB -0.688 68.314 68.868 0.225 0.000 0.855 101 T HN 0.366 nan 8.240 nan 0.000 0.536 102 A N 1.163 124.204 122.820 0.369 0.000 1.873 102 A HA 0.148 4.467 4.320 -0.001 0.000 0.215 102 A C 1.921 179.853 177.584 0.579 0.000 1.186 102 A CA 1.100 53.405 52.037 0.448 0.000 0.616 102 A CB -1.085 18.160 19.000 0.409 0.000 0.823 102 A HN 0.513 nan 8.150 nan 0.000 0.442 103 F N 0.899 121.179 119.950 0.550 0.000 2.269 103 F HA -0.199 4.327 4.527 -0.001 0.000 0.301 103 F C 2.366 178.228 175.800 0.103 0.000 1.082 103 F CA 1.784 59.998 58.000 0.355 0.000 1.360 103 F CB 0.002 38.970 39.000 -0.053 0.000 1.041 103 F HN 0.241 nan 8.300 nan 0.000 0.512 104 Q N -0.054 119.872 119.800 0.209 0.000 1.969 104 Q HA -0.095 4.244 4.340 -0.001 0.000 0.198 104 Q C 1.261 177.076 176.000 -0.308 0.000 0.978 104 Q CA 1.266 56.985 55.803 -0.141 0.000 0.830 104 Q CB -1.198 27.287 28.738 -0.420 0.000 0.896 104 Q HN 0.381 nan 8.270 nan 0.000 0.431 105 F N 0.837 120.668 119.950 -0.199 0.000 2.783 105 F HA 0.212 4.740 4.527 0.000 0.000 0.338 105 F C 1.154 176.880 175.800 -0.124 0.000 1.178 105 F CA 0.199 57.860 58.000 -0.565 0.000 1.343 105 F CB -0.302 38.107 39.000 -0.984 0.000 1.496 105 F HN 0.008 nan 8.300 nan 0.000 0.583 106 L N -1.518 119.807 121.223 0.170 0.000 4.117 106 L HA 0.043 4.383 4.340 -0.001 0.000 0.403 106 L C 1.640 178.598 176.870 0.146 0.000 1.051 106 L CA 0.192 55.201 54.840 0.282 0.000 1.521 106 L CB 0.192 42.473 42.059 0.370 0.000 1.894 106 L HN -0.026 nan 8.230 nan 0.000 0.632 107 Q N 0.942 120.690 119.800 -0.086 0.000 2.432 107 Q HA -0.025 4.315 4.340 -0.001 0.000 0.205 107 Q C 1.550 177.483 176.000 -0.111 0.000 0.945 107 Q CA 1.084 56.700 55.803 -0.313 0.000 0.924 107 Q CB 0.284 28.691 28.738 -0.552 0.000 1.016 107 Q HN 0.429 nan 8.270 nan 0.000 0.503 108 E N -0.141 120.080 120.200 0.036 0.000 2.001 108 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 108 E C 0.169 176.829 176.600 0.100 0.000 1.002 108 E CA 0.970 57.441 56.400 0.119 0.000 0.819 108 E CB -0.285 29.595 29.700 0.299 0.000 0.769 108 E HN 0.323 nan 8.360 nan 0.000 0.454 109 I N 0.902 121.556 120.570 0.141 0.000 2.945 109 I HA 0.056 4.225 4.170 -0.001 0.000 0.292 109 I C 0.189 176.346 176.117 0.068 0.000 1.093 109 I CA -0.596 60.747 61.300 0.071 0.000 1.336 109 I CB 0.102 38.142 38.000 0.066 0.000 1.435 109 I HN -0.171 nan 8.210 nan 0.000 0.593 110 K N 4.137 124.564 120.400 0.045 0.000 2.485 110 K HA 0.074 4.393 4.320 -0.001 0.000 0.277 110 K C -1.553 175.117 176.600 0.117 0.000 0.990 110 K CA -0.807 55.517 56.287 0.061 0.000 0.994 110 K CB 0.026 32.553 32.500 0.043 0.000 0.906 110 K HN 0.534 nan 8.250 nan 0.000 0.488 111 P HA -0.156 nan 4.420 nan 0.000 0.236 111 P C -0.034 177.366 177.300 0.168 0.000 1.172 111 P CA 1.137 64.351 63.100 0.189 0.000 0.759 111 P CB 0.418 32.253 31.700 0.224 0.000 0.843 112 E N 0.472 120.774 120.200 0.170 0.000 2.057 112 E HA 0.025 4.375 4.350 -0.001 0.000 0.190 112 E C 2.284 179.078 176.600 0.324 0.000 0.969 112 E CA 1.020 57.565 56.400 0.241 0.000 0.812 112 E CB -1.197 28.624 29.700 0.202 0.000 0.777 112 E HN 0.146 nan 8.360 nan 0.000 0.455 113 A N 1.996 124.991 122.820 0.292 0.000 1.883 113 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 113 A C 2.625 180.301 177.584 0.154 0.000 1.186 113 A CA 1.942 54.137 52.037 0.264 0.000 0.624 113 A CB -1.022 18.077 19.000 0.164 0.000 0.822 113 A HN 0.096 nan 8.150 nan 0.000 0.444 114 V N -0.059 119.937 119.914 0.136 0.000 2.218 114 V HA -0.369 3.750 4.120 -0.001 0.000 0.251 114 V C 3.058 179.184 176.094 0.054 0.000 1.057 114 V CA 2.579 64.942 62.300 0.105 0.000 1.022 114 V CB -1.609 30.299 31.823 0.142 0.000 0.645 114 V HN 0.681 nan 8.190 nan 0.000 0.451 115 A N -1.041 121.820 122.820 0.068 0.000 1.873 115 A HA -0.323 3.996 4.320 -0.001 0.000 0.218 115 A C 2.172 179.745 177.584 -0.018 0.000 1.193 115 A CA 2.570 54.624 52.037 0.028 0.000 0.629 115 A CB -0.981 18.056 19.000 0.062 0.000 0.826 115 A HN 0.702 nan 8.150 nan 0.000 0.447 116 Y N 0.579 120.776 120.300 -0.172 0.000 2.097 116 Y HA -0.216 4.333 4.550 -0.000 0.000 0.282 116 Y C 2.041 177.764 175.900 -0.295 0.000 1.152 116 Y CA 1.850 59.712 58.100 -0.397 0.000 1.136 116 Y CB -0.478 37.340 38.460 -1.070 0.000 0.975 116 Y HN 0.274 nan 8.280 nan 0.000 0.498 117 I N -0.388 119.993 120.570 -0.315 0.000 2.530 117 I HA -0.337 3.832 4.170 -0.001 0.000 0.257 117 I C 1.951 177.915 176.117 -0.256 0.000 1.179 117 I CA 1.461 62.576 61.300 -0.308 0.000 1.440 117 I CB -0.623 37.320 38.000 -0.095 0.000 1.087 117 I HN 0.325 nan 8.210 nan 0.000 0.440 118 T N 1.218 115.658 114.554 -0.190 0.000 2.613 118 T HA -0.043 4.306 4.350 -0.001 0.000 0.248 118 T C 1.913 176.503 174.700 -0.183 0.000 1.107 118 T CA 1.113 63.129 62.100 -0.139 0.000 1.238 118 T CB -0.375 68.439 68.868 -0.090 0.000 0.899 118 T HN 0.147 nan 8.240 nan 0.000 0.400 119 I N 1.371 121.836 120.570 -0.175 0.000 2.121 119 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 119 I C 2.758 178.734 176.117 -0.235 0.000 1.047 119 I CA 1.550 62.749 61.300 -0.169 0.000 1.308 119 I CB -0.575 37.343 38.000 -0.137 0.000 1.015 119 I HN 0.199 nan 8.210 nan 0.000 0.410 120 K N 1.038 121.191 120.400 -0.412 0.000 1.977 120 K HA -0.198 4.121 4.320 -0.001 0.000 0.218 120 K C 2.115 178.539 176.600 -0.293 0.000 1.051 120 K CA 2.708 58.712 56.287 -0.472 0.000 0.953 120 K CB -0.734 31.202 32.500 -0.939 0.000 0.727 120 K HN 0.277 nan 8.250 nan 0.000 0.445 121 T N 0.910 115.301 114.554 -0.272 0.000 2.699 121 T HA -0.167 4.183 4.350 -0.001 0.000 0.268 121 T C 1.873 176.492 174.700 -0.135 0.000 1.036 121 T CA 2.473 64.466 62.100 -0.178 0.000 1.147 121 T CB -0.738 68.043 68.868 -0.145 0.000 0.862 121 T HN 0.663 nan 8.240 nan 0.000 0.446 122 T N 0.902 115.380 114.554 -0.127 0.000 2.803 122 T HA -0.029 4.321 4.350 -0.001 0.000 0.269 122 T C 1.931 176.583 174.700 -0.081 0.000 1.052 122 T CA 0.984 63.031 62.100 -0.089 0.000 1.136 122 T CB -0.574 68.246 68.868 -0.080 0.000 0.864 122 T HN 0.321 nan 8.240 nan 0.000 0.467 123 L N 0.379 121.542 121.223 -0.100 0.000 2.168 123 L HA 0.286 4.625 4.340 -0.001 0.000 0.203 123 L C 3.334 180.146 176.870 -0.096 0.000 1.078 123 L CA 0.707 55.496 54.840 -0.084 0.000 0.780 123 L CB -0.767 41.240 42.059 -0.088 0.000 0.939 123 L HN 0.338 nan 8.230 nan 0.000 0.451 124 A N 0.474 123.221 122.820 -0.121 0.000 1.884 124 A HA -0.302 4.018 4.320 -0.001 0.000 0.219 124 A C 2.132 179.651 177.584 -0.109 0.000 1.197 124 A CA 2.158 54.118 52.037 -0.129 0.000 0.637 124 A CB -1.238 17.674 19.000 -0.147 0.000 0.827 124 A HN 0.693 nan 8.150 nan 0.000 0.450 125 C N -2.545 116.700 119.300 -0.093 0.000 2.559 125 C HA 0.687 5.147 4.460 -0.001 0.000 0.300 125 C C 1.220 176.177 174.990 -0.055 0.000 1.288 125 C CA -0.161 58.812 59.018 -0.074 0.000 1.699 125 C CB -1.620 26.079 27.740 -0.068 0.000 1.819 125 C HN 0.463 nan 8.230 nan 0.000 0.600 126 L N 1.654 122.845 121.223 -0.054 0.000 3.168 126 L HA 0.240 4.579 4.340 -0.001 0.000 0.277 126 L C 1.384 178.235 176.870 -0.032 0.000 1.245 126 L CA 0.761 55.581 54.840 -0.033 0.000 1.035 126 L CB 0.381 42.425 42.059 -0.025 0.000 1.399 126 L HN 0.614 nan 8.230 nan 0.000 0.580 127 T N -6.712 107.810 114.554 -0.052 0.000 3.328 127 T HA 0.062 4.412 4.350 -0.001 0.000 0.297 127 T C 1.265 175.920 174.700 -0.076 0.000 0.882 127 T CA 0.404 62.468 62.100 -0.060 0.000 0.906 127 T CB 0.096 68.914 68.868 -0.082 0.000 1.210 127 T HN 0.180 nan 8.240 nan 0.000 0.631 128 S N 2.215 117.870 115.700 -0.075 0.000 2.357 128 S HA 0.722 5.191 4.470 -0.001 0.000 0.209 128 S C 1.181 175.746 174.600 -0.058 0.000 1.023 128 S CA 0.246 58.398 58.200 -0.079 0.000 0.933 128 S CB -0.539 62.609 63.200 -0.087 0.000 0.897 128 S HN 0.846 nan 8.310 nan 0.000 0.529 129 A N 1.183 123.974 122.820 -0.049 0.000 2.452 129 A HA 0.708 5.028 4.320 -0.001 0.000 0.285 129 A C -0.634 176.934 177.584 -0.027 0.000 1.209 129 A CA -0.372 51.643 52.037 -0.037 0.000 0.940 129 A CB 0.440 19.419 19.000 -0.037 0.000 1.440 129 A HN 0.294 nan 8.150 nan 0.000 0.480 130 D N -0.736 119.651 120.400 -0.022 0.000 2.440 130 D HA 0.127 4.767 4.640 -0.001 0.000 0.216 130 D C -0.051 176.241 176.300 -0.014 0.000 1.150 130 D CA 0.228 54.219 54.000 -0.016 0.000 0.832 130 D CB 0.121 40.912 40.800 -0.016 0.000 0.992 130 D HN 0.436 nan 8.370 nan 0.000 0.502 131 N N 0.880 119.571 118.700 -0.016 0.000 3.025 131 N HA 0.011 4.751 4.740 -0.001 0.000 0.315 131 N C -0.629 174.875 175.510 -0.009 0.000 1.511 131 N CA -0.241 52.802 53.050 -0.013 0.000 1.097 131 N CB 0.052 38.530 38.487 -0.015 0.000 1.395 131 N HN -0.145 nan 8.380 nan 0.000 0.511 132 T N -1.441 113.112 114.554 -0.003 0.000 3.414 132 T HA 0.154 4.503 4.350 -0.001 0.000 0.304 132 T C 0.340 175.048 174.700 0.013 0.000 1.241 132 T CA -0.586 61.515 62.100 0.001 0.000 1.076 132 T CB 0.170 69.042 68.868 0.006 0.000 1.134 132 T HN 0.146 nan 8.240 nan 0.000 0.759 133 T N 1.262 115.821 114.554 0.008 0.000 2.945 133 T HA 0.406 4.756 4.350 -0.001 0.000 0.286 133 T C 1.718 176.426 174.700 0.013 0.000 1.025 133 T CA -0.336 61.773 62.100 0.015 0.000 1.039 133 T CB 1.214 70.090 68.868 0.013 0.000 1.068 133 T HN 0.512 nan 8.240 nan 0.000 0.497 134 V N 2.670 122.595 119.914 0.018 0.000 2.370 134 V HA -0.228 3.891 4.120 -0.001 0.000 0.252 134 V C 2.205 178.314 176.094 0.025 0.000 1.068 134 V CA 1.876 64.188 62.300 0.019 0.000 1.061 134 V CB -1.330 30.506 31.823 0.022 0.000 0.656 134 V HN 0.920 nan 8.190 nan 0.000 0.455 135 Q N 0.749 120.565 119.800 0.027 0.000 2.079 135 Q HA -0.029 4.310 4.340 -0.001 0.000 0.200 135 Q C 2.497 178.508 176.000 0.019 0.000 0.974 135 Q CA 1.858 57.680 55.803 0.031 0.000 0.840 135 Q CB -0.421 28.334 28.738 0.027 0.000 0.898 135 Q HN 0.787 nan 8.270 nan 0.000 0.430 136 A N 0.331 123.155 122.820 0.008 0.000 1.855 136 A HA -0.088 4.232 4.320 -0.001 0.000 0.213 136 A C 2.356 179.934 177.584 -0.010 0.000 1.195 136 A CA 1.045 53.080 52.037 -0.004 0.000 0.610 136 A CB -0.724 18.270 19.000 -0.010 0.000 0.837 136 A HN 0.173 nan 8.150 nan 0.000 0.444 137 V N 0.320 120.228 119.914 -0.010 0.000 2.255 137 V HA -0.290 3.829 4.120 -0.001 0.000 0.247 137 V C 3.080 179.167 176.094 -0.012 0.000 1.051 137 V CA 2.171 64.459 62.300 -0.019 0.000 1.018 137 V CB -1.493 30.319 31.823 -0.019 0.000 0.641 137 V HN 0.609 nan 8.190 nan 0.000 0.445 138 A N 1.003 123.827 122.820 0.006 0.000 1.865 138 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 138 A C 2.584 180.185 177.584 0.027 0.000 1.191 138 A CA 2.843 54.895 52.037 0.026 0.000 0.623 138 A CB -1.067 17.964 19.000 0.052 0.000 0.826 138 A HN 0.732 nan 8.150 nan 0.000 0.444 139 S N 0.304 116.017 115.700 0.021 0.000 2.387 139 S HA -0.075 4.394 4.470 -0.001 0.000 0.230 139 S C 2.059 176.652 174.600 -0.011 0.000 1.035 139 S CA 1.679 59.886 58.200 0.012 0.000 1.014 139 S CB -0.789 62.414 63.200 0.005 0.000 0.836 139 S HN 0.996 nan 8.310 nan 0.000 0.466 140 A N 2.163 124.970 122.820 -0.023 0.000 1.855 140 A HA 0.139 4.458 4.320 -0.001 0.000 0.215 140 A C 2.289 179.844 177.584 -0.048 0.000 1.191 140 A CA 1.419 53.430 52.037 -0.043 0.000 0.613 140 A CB -0.875 18.095 19.000 -0.051 0.000 0.829 140 A HN 0.570 nan 8.150 nan 0.000 0.442 141 I N -0.124 120.424 120.570 -0.036 0.000 2.264 141 I HA -0.221 3.949 4.170 -0.001 0.000 0.248 141 I C 2.645 178.748 176.117 -0.024 0.000 1.111 141 I CA 1.044 62.324 61.300 -0.034 0.000 1.382 141 I CB -0.660 37.328 38.000 -0.018 0.000 1.060 141 I HN 0.425 nan 8.210 nan 0.000 0.418 142 G N 0.923 109.722 108.800 -0.001 0.000 2.421 142 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 142 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 142 G C 1.741 176.556 174.900 -0.142 0.000 1.171 142 G CA 0.333 45.437 45.100 0.006 0.000 0.775 142 G HN 0.180 nan 8.290 nan 0.000 0.543 143 R N 0.731 121.161 120.500 -0.115 0.000 2.189 143 R HA 0.165 4.504 4.340 -0.001 0.000 0.218 143 R C 2.702 178.914 176.300 -0.147 0.000 1.074 143 R CA 1.001 57.010 56.100 -0.151 0.000 0.991 143 R CB -0.841 29.401 30.300 -0.097 0.000 0.883 143 R HN 0.381 nan 8.270 nan 0.000 0.457 144 A N 1.142 123.896 122.820 -0.109 0.000 1.874 144 A HA -0.029 4.291 4.320 -0.001 0.000 0.214 144 A C 2.055 179.589 177.584 -0.084 0.000 1.189 144 A CA 0.719 52.715 52.037 -0.067 0.000 0.615 144 A CB -0.155 18.808 19.000 -0.062 0.000 0.830 144 A HN 0.030 nan 8.150 nan 0.000 0.443 145 I N 0.140 120.635 120.570 -0.125 0.000 2.353 145 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 145 I C 2.361 178.275 176.117 -0.339 0.000 1.119 145 I CA 1.661 62.893 61.300 -0.114 0.000 1.417 145 I CB -1.294 36.729 38.000 0.038 0.000 1.078 145 I HN 0.575 nan 8.210 nan 0.000 0.421 146 E N 0.970 120.732 120.200 -0.729 0.000 2.150 146 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 146 E C 0.429 176.839 176.600 -0.316 0.000 0.985 146 E CA 0.809 56.556 56.400 -1.088 0.000 0.814 146 E CB 0.108 28.943 29.700 -1.443 0.000 0.752 146 E HN 0.274 nan 8.360 nan 0.000 0.466 147 D N 0.722 121.053 120.400 -0.115 0.000 2.826 147 D HA 0.003 4.643 4.640 -0.001 0.000 0.247 147 D C 0.385 176.786 176.300 0.168 0.000 1.238 147 D CA 0.442 54.588 54.000 0.244 0.000 0.894 147 D CB 0.282 41.243 40.800 0.269 0.000 1.100 147 D HN 0.215 nan 8.370 nan 0.000 0.453 148 E N -1.035 118.921 120.200 -0.406 0.000 2.628 148 E HA 0.064 4.414 4.350 -0.001 0.000 0.275 148 E C 0.651 176.497 176.600 -1.257 0.000 1.118 148 E CA 0.469 56.237 56.400 -1.054 0.000 1.989 148 E CB -0.550 28.918 29.700 -0.387 0.000 2.738 148 E HN -0.010 nan 8.360 nan 0.000 1.053 149 A N 2.579 125.183 122.820 -0.361 0.000 2.471 149 A HA -0.293 4.027 4.320 -0.001 0.000 0.300 149 A C 0.744 178.367 177.584 0.066 0.000 1.454 149 A CA 2.172 54.312 52.037 0.173 0.000 0.861 149 A CB -1.530 17.956 19.000 0.810 0.000 1.006 149 A HN 0.413 nan 8.150 nan 0.000 0.400 150 R N -2.787 117.606 120.500 -0.177 0.000 3.741 150 R HA -0.255 4.084 4.340 -0.001 0.000 0.292 150 R C 0.147 176.417 176.300 -0.051 0.000 1.176 150 R CA 1.988 58.024 56.100 -0.106 0.000 0.794 150 R CB -2.819 27.507 30.300 0.043 0.000 1.213 150 R HN 1.622 nan 8.270 nan 0.000 0.494 151 F N -2.358 117.562 119.950 -0.050 0.000 2.697 151 F HA 0.471 4.998 4.527 -0.001 0.000 0.297 151 F C 1.499 177.227 175.800 -0.121 0.000 1.203 151 F CA -1.069 56.861 58.000 -0.117 0.000 1.421 151 F CB -0.619 38.151 39.000 -0.383 0.000 1.033 151 F HN 0.063 nan 8.300 nan 0.000 0.512 152 G N 1.053 109.887 108.800 0.056 0.000 3.337 152 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.226 152 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.226 152 G C 1.308 176.203 174.900 -0.008 0.000 1.295 152 G CA -0.336 44.749 45.100 -0.024 0.000 1.427 152 G HN 0.467 nan 8.290 nan 0.000 0.535 153 R N -0.603 119.940 120.500 0.071 0.000 2.153 153 R HA -0.224 4.116 4.340 -0.001 0.000 0.252 153 R C 1.625 177.937 176.300 0.020 0.000 1.158 153 R CA 1.669 57.799 56.100 0.049 0.000 0.975 153 R CB -0.290 30.043 30.300 0.054 0.000 0.871 153 R HN 0.531 nan 8.270 nan 0.000 0.450 154 I N -0.747 119.833 120.570 0.017 0.000 3.039 154 I HA 0.020 4.190 4.170 -0.001 0.000 0.270 154 I C 1.893 177.982 176.117 -0.048 0.000 1.150 154 I CA 0.667 62.002 61.300 0.058 0.000 1.448 154 I CB -0.188 37.936 38.000 0.206 0.000 1.197 154 I HN -0.197 nan 8.210 nan 0.000 0.450 155 R N 1.341 121.632 120.500 -0.349 0.000 2.120 155 R HA -0.048 4.291 4.340 -0.001 0.000 0.234 155 R C 0.421 176.560 176.300 -0.269 0.000 1.123 155 R CA 1.162 56.872 56.100 -0.649 0.000 0.975 155 R CB -0.842 28.946 30.300 -0.854 0.000 0.866 155 R HN 0.423 nan 8.270 nan 0.000 0.446 156 D N -1.507 118.799 120.400 -0.157 0.000 2.535 156 D HA 0.332 4.972 4.640 -0.001 0.000 0.240 156 D C 0.263 176.543 176.300 -0.034 0.000 1.200 156 D CA -0.618 53.332 54.000 -0.084 0.000 1.088 156 D CB 0.254 41.012 40.800 -0.070 0.000 1.197 156 D HN -0.156 nan 8.370 nan 0.000 0.620 157 L N -0.434 120.780 121.223 -0.017 0.000 4.107 157 L HA -0.278 4.061 4.340 -0.001 0.000 0.437 157 L C -0.009 176.865 176.870 0.007 0.000 1.128 157 L CA 0.368 55.209 54.840 0.002 0.000 0.980 157 L CB -1.715 40.352 42.059 0.013 0.000 1.878 157 L HN 0.634 nan 8.230 nan 0.000 1.047 158 E N -0.576 119.625 120.200 0.002 0.000 2.389 158 E HA -0.227 4.123 4.350 -0.001 0.000 0.243 158 E C 0.356 176.974 176.600 0.031 0.000 1.154 158 E CA 0.976 57.383 56.400 0.011 0.000 0.723 158 E CB -0.895 28.811 29.700 0.009 0.000 1.261 158 E HN 0.608 nan 8.360 nan 0.000 0.390 159 A N 1.509 124.354 122.820 0.043 0.000 3.079 159 A HA 0.422 4.742 4.320 -0.001 0.000 0.315 159 A C 0.916 178.581 177.584 0.134 0.000 1.334 159 A CA -0.296 51.791 52.037 0.082 0.000 1.048 159 A CB 0.380 19.424 19.000 0.074 0.000 1.156 159 A HN 0.104 nan 8.150 nan 0.000 0.523 160 K N 0.229 120.697 120.400 0.113 0.000 2.442 160 K HA -0.160 4.159 4.320 -0.001 0.000 0.200 160 K C 1.595 178.294 176.600 0.165 0.000 1.045 160 K CA 0.950 57.310 56.287 0.122 0.000 0.937 160 K CB -0.579 31.959 32.500 0.063 0.000 0.757 160 K HN 0.795 nan 8.250 nan 0.000 0.474 161 H N -0.784 118.337 119.070 0.085 0.000 2.492 161 H HA -0.186 4.369 4.556 -0.001 0.000 0.296 161 H C 1.557 176.940 175.328 0.091 0.000 1.095 161 H CA 1.388 57.477 56.048 0.068 0.000 1.281 161 H CB -0.106 29.689 29.762 0.056 0.000 1.374 161 H HN 0.303 nan 8.280 nan 0.000 0.545 162 F N 1.621 121.672 119.950 0.168 0.000 2.128 162 F HA 0.010 4.537 4.527 -0.001 0.000 0.295 162 F C 1.620 177.451 175.800 0.052 0.000 1.100 162 F CA 0.922 58.987 58.000 0.109 0.000 1.260 162 F CB -0.012 39.025 39.000 0.061 0.000 1.009 162 F HN -0.080 nan 8.300 nan 0.000 0.476 163 K N 0.971 121.541 120.400 0.283 0.000 3.225 163 K HA 0.004 4.323 4.320 -0.001 0.000 0.282 163 K C 0.626 177.231 176.600 0.008 0.000 1.060 163 K CA 0.217 56.586 56.287 0.138 0.000 1.186 163 K CB -0.015 32.584 32.500 0.165 0.000 1.214 163 K HN 0.360 nan 8.250 nan 0.000 0.428 164 K N -0.718 119.645 120.400 -0.062 0.000 2.954 164 K HA 0.059 4.378 4.320 -0.001 0.000 0.181 164 K C 0.163 176.685 176.600 -0.131 0.000 2.022 164 K CA 0.018 56.250 56.287 -0.092 0.000 1.440 164 K CB 0.542 32.978 32.500 -0.107 0.000 2.298 164 K HN 0.041 nan 8.250 nan 0.000 0.597 165 N N 0.433 119.028 118.700 -0.175 0.000 2.143 165 N HA 0.134 4.873 4.740 -0.001 0.000 0.222 165 N C 0.574 176.059 175.510 -0.041 0.000 1.264 165 N CA 0.393 53.363 53.050 -0.134 0.000 0.897 165 N CB 2.065 40.390 38.487 -0.271 0.000 1.092 165 N HN -0.020 nan 8.380 nan 0.000 0.516 166 V N -0.041 119.792 119.914 -0.135 0.000 3.539 166 V HA 0.128 4.248 4.120 -0.001 0.000 0.262 166 V C 1.897 177.615 176.094 -0.627 0.000 1.381 166 V CA 0.364 62.514 62.300 -0.251 0.000 1.060 166 V CB 0.998 32.739 31.823 -0.135 0.000 0.842 166 V HN 0.148 nan 8.190 nan 0.000 0.445 167 E N 0.986 120.710 120.200 -0.793 0.000 2.201 167 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 167 E C 1.983 178.416 176.600 -0.278 0.000 0.957 167 E CA 0.599 56.549 56.400 -0.751 0.000 0.858 167 E CB 0.230 29.537 29.700 -0.655 0.000 0.816 167 E HN 0.624 nan 8.360 nan 0.000 0.475 168 E N -0.098 119.988 120.200 -0.190 0.000 2.396 168 E HA -0.236 4.114 4.350 -0.001 0.000 0.200 168 E C 1.379 177.945 176.600 -0.056 0.000 1.023 168 E CA 1.089 57.436 56.400 -0.089 0.000 0.857 168 E CB 0.249 29.912 29.700 -0.063 0.000 0.775 168 E HN 0.243 nan 8.360 nan 0.000 0.525 169 Q N -0.491 119.280 119.800 -0.050 0.000 2.481 169 Q HA 0.068 4.408 4.340 -0.001 0.000 0.219 169 Q C 1.850 177.867 176.000 0.027 0.000 0.920 169 Q CA 0.247 56.064 55.803 0.023 0.000 0.915 169 Q CB -0.373 28.465 28.738 0.167 0.000 1.057 169 Q HN 0.170 nan 8.270 nan 0.000 0.581 170 L N 1.355 122.593 121.223 0.026 0.000 2.043 170 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 170 L C 0.895 177.781 176.870 0.026 0.000 1.075 170 L CA 1.901 56.779 54.840 0.062 0.000 0.752 170 L CB -0.541 41.539 42.059 0.034 0.000 0.891 170 L HN 0.185 nan 8.230 nan 0.000 0.432 171 N N -1.050 117.645 118.700 -0.008 0.000 2.550 171 N HA -0.116 4.624 4.740 -0.001 0.000 0.186 171 N C 1.579 177.081 175.510 -0.013 0.000 1.110 171 N CA 0.456 53.503 53.050 -0.004 0.000 0.912 171 N CB -0.060 38.422 38.487 -0.010 0.000 0.968 171 N HN 0.253 nan 8.380 nan 0.000 0.448 172 K N 0.525 120.908 120.400 -0.028 0.000 2.161 172 K HA 0.171 4.491 4.320 -0.001 0.000 0.205 172 K C 0.003 176.559 176.600 -0.074 0.000 1.035 172 K CA 0.348 56.604 56.287 -0.052 0.000 0.970 172 K CB 0.268 32.724 32.500 -0.073 0.000 0.866 172 K HN -0.008 nan 8.250 nan 0.000 0.461 173 R N 2.228 122.664 120.500 -0.107 0.000 2.486 173 R HA -0.010 4.330 4.340 -0.001 0.000 0.303 173 R C 0.208 176.496 176.300 -0.019 0.000 0.958 173 R CA 0.061 56.083 56.100 -0.130 0.000 1.077 173 R CB -0.759 29.460 30.300 -0.135 0.000 0.921 173 R HN 0.055 nan 8.270 nan 0.000 0.406 174 V N -0.241 119.673 119.914 0.000 0.000 2.644 174 V HA 0.844 4.963 4.120 -0.001 0.000 0.295 174 V C 0.716 176.912 176.094 0.170 0.000 1.053 174 V CA -0.171 62.167 62.300 0.064 0.000 0.987 174 V CB 1.262 33.122 31.823 0.061 0.000 1.006 174 V HN 0.962 nan 8.190 nan 0.000 0.472 175 G N 2.527 111.403 108.800 0.127 0.000 3.039 175 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.686 175 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.686 175 G C -0.418 174.542 174.900 0.102 0.000 1.066 175 G CA 0.104 45.300 45.100 0.160 0.000 0.774 175 G HN 1.379 nan 8.290 nan 0.000 0.591 176 H N 0.461 119.549 119.070 0.030 0.000 2.567 176 H HA 0.172 4.727 4.556 -0.001 0.000 0.276 176 H C 2.397 177.677 175.328 -0.081 0.000 1.016 176 H CA 1.379 57.436 56.048 0.016 0.000 1.186 176 H CB 0.242 30.002 29.762 -0.003 0.000 1.351 176 H HN 0.395 nan 8.280 nan 0.000 0.605 177 V N -1.064 118.834 119.914 -0.027 0.000 2.575 177 V HA -0.132 3.988 4.120 -0.001 0.000 0.242 177 V C 1.260 177.231 176.094 -0.205 0.000 1.045 177 V CA 0.979 63.155 62.300 -0.206 0.000 1.065 177 V CB -0.336 31.259 31.823 -0.380 0.000 0.717 177 V HN 0.321 nan 8.190 nan 0.000 0.467 178 Y N 0.732 121.053 120.300 0.036 0.000 2.519 178 Y HA 0.100 4.649 4.550 -0.001 0.000 0.287 178 Y C 2.266 178.237 175.900 0.117 0.000 1.128 178 Y CA 0.420 58.553 58.100 0.054 0.000 1.282 178 Y CB -0.282 38.184 38.460 0.010 0.000 1.027 178 Y HN 0.204 nan 8.280 nan 0.000 0.551 179 K N -0.305 120.239 120.400 0.240 0.000 2.186 179 K HA -0.085 4.234 4.320 -0.001 0.000 0.202 179 K C 1.868 178.694 176.600 0.376 0.000 1.052 179 K CA 0.811 57.292 56.287 0.323 0.000 0.965 179 K CB 0.130 32.821 32.500 0.318 0.000 0.746 179 K HN -0.054 nan 8.250 nan 0.000 0.457 180 K N 1.106 121.499 120.400 -0.012 0.000 2.365 180 K HA 0.092 4.412 4.320 -0.001 0.000 0.197 180 K C 1.455 177.996 176.600 -0.097 0.000 1.042 180 K CA 0.751 56.780 56.287 -0.431 0.000 0.987 180 K CB 0.193 32.249 32.500 -0.740 0.000 0.779 180 K HN 0.069 nan 8.250 nan 0.000 0.484 181 A N -0.548 122.299 122.820 0.045 0.000 1.920 181 A HA 0.125 4.445 4.320 -0.001 0.000 0.209 181 A C 1.846 179.543 177.584 0.189 0.000 1.229 181 A CA 0.321 52.416 52.037 0.098 0.000 0.671 181 A CB -0.709 18.370 19.000 0.131 0.000 0.886 181 A HN 0.313 nan 8.150 nan 0.000 0.461 182 F N 0.213 120.228 119.950 0.109 0.000 2.365 182 F HA -0.091 4.435 4.527 -0.002 0.000 0.300 182 F C 1.981 177.826 175.800 0.075 0.000 1.090 182 F CA 1.643 59.694 58.000 0.084 0.000 1.408 182 F CB -0.084 38.965 39.000 0.082 0.000 1.060 182 F HN 0.288 nan 8.300 nan 0.000 0.534 183 M N 0.193 119.894 119.600 0.169 0.000 2.394 183 M HA -0.123 4.357 4.480 -0.001 0.000 0.264 183 M C 1.934 178.214 176.300 -0.032 0.000 1.073 183 M CA 1.499 56.858 55.300 0.098 0.000 1.111 183 M CB -0.765 32.029 32.600 0.323 0.000 1.401 183 M HN 0.152 nan 8.290 nan 0.000 0.448 184 Q N -0.270 119.510 119.800 -0.033 0.000 2.226 184 Q HA -0.061 4.279 4.340 -0.001 0.000 0.204 184 Q C 1.672 177.596 176.000 -0.125 0.000 0.975 184 Q CA 1.696 57.454 55.803 -0.074 0.000 0.866 184 Q CB -0.457 28.254 28.738 -0.044 0.000 0.915 184 Q HN 0.484 nan 8.270 nan 0.000 0.440 185 V N -0.861 118.927 119.914 -0.209 0.000 2.214 185 V HA -0.288 3.832 4.120 -0.001 0.000 0.245 185 V C 2.198 178.152 176.094 -0.233 0.000 1.047 185 V CA 1.842 63.969 62.300 -0.288 0.000 0.998 185 V CB -0.979 30.469 31.823 -0.624 0.000 0.633 185 V HN 0.248 nan 8.190 nan 0.000 0.446 186 V N 0.113 119.875 119.914 -0.254 0.000 2.317 186 V HA -0.376 3.744 4.120 -0.001 0.000 0.251 186 V C 2.472 178.484 176.094 -0.135 0.000 1.065 186 V CA 2.544 64.743 62.300 -0.169 0.000 1.049 186 V CB -0.797 30.955 31.823 -0.119 0.000 0.651 186 V HN 0.719 nan 8.190 nan 0.000 0.450 187 E N 0.034 120.153 120.200 -0.135 0.000 2.153 187 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 187 E C 2.222 178.764 176.600 -0.097 0.000 0.988 187 E CA 1.106 57.429 56.400 -0.128 0.000 0.811 187 E CB -0.232 29.375 29.700 -0.156 0.000 0.746 187 E HN 0.594 nan 8.360 nan 0.000 0.466 188 A N 1.415 124.179 122.820 -0.094 0.000 1.859 188 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 188 A C 1.242 178.790 177.584 -0.059 0.000 1.209 188 A CA 1.583 53.578 52.037 -0.069 0.000 0.639 188 A CB -0.834 18.123 19.000 -0.072 0.000 0.835 188 A HN 0.410 nan 8.150 nan 0.000 0.450 189 D N -0.561 119.796 120.400 -0.071 0.000 2.525 189 D HA 0.137 4.777 4.640 -0.001 0.000 0.235 189 D C 1.499 177.764 176.300 -0.058 0.000 1.137 189 D CA 0.571 54.533 54.000 -0.063 0.000 0.868 189 D CB 0.481 41.235 40.800 -0.078 0.000 1.180 189 D HN 0.344 nan 8.370 nan 0.000 0.465 190 M N 3.893 123.469 119.600 -0.041 0.000 2.151 190 M HA -0.180 4.299 4.480 -0.001 0.000 0.256 190 M C 1.343 177.620 176.300 -0.038 0.000 1.072 190 M CA 1.419 56.702 55.300 -0.029 0.000 1.090 190 M CB -0.962 31.628 32.600 -0.017 0.000 1.294 190 M HN 0.455 nan 8.290 nan 0.000 0.415 191 L N 1.830 123.020 121.223 -0.055 0.000 3.678 191 L HA -0.310 4.029 4.340 -0.001 0.000 0.425 191 L C 0.386 177.238 176.870 -0.031 0.000 1.240 191 L CA 0.248 55.048 54.840 -0.068 0.000 0.876 191 L CB -2.796 39.206 42.059 -0.096 0.000 1.766 191 L HN 1.085 nan 8.230 nan 0.000 0.917 192 S N -2.285 113.406 115.700 -0.015 0.000 3.639 192 S HA -0.201 4.268 4.470 -0.001 0.000 0.692 192 S C 0.711 175.320 174.600 0.014 0.000 2.071 192 S CA 0.718 58.919 58.200 0.002 0.000 2.168 192 S CB -0.011 63.192 63.200 0.006 0.000 0.330 192 S HN 0.553 nan 8.310 nan 0.000 1.393 193 K N -0.130 120.285 120.400 0.026 0.000 1.898 193 K HA 0.015 4.334 4.320 -0.001 0.000 0.256 193 K C 0.909 177.536 176.600 0.045 0.000 1.652 193 K CA 2.267 58.579 56.287 0.042 0.000 0.589 193 K CB -1.956 30.578 32.500 0.057 0.000 0.785 193 K HN 2.777 nan 8.250 nan 0.000 0.824 201 W N 3.134 124.466 121.300 0.052 0.000 2.957 201 W HA 0.494 5.153 4.660 -0.002 0.000 0.327 201 W C -0.600 175.981 176.519 0.102 0.000 1.039 201 W CA -0.072 57.326 57.345 0.088 0.000 1.257 201 W CB 1.783 31.287 29.460 0.074 0.000 1.238 201 W HN 1.018 nan 8.180 nan 0.000 0.406 202 S N 3.969 119.338 115.700 -0.552 0.000 2.481 202 S HA 0.201 4.671 4.470 -0.001 0.000 0.282 202 S C 0.336 174.596 174.600 -0.567 0.000 1.243 202 S CA 0.456 58.387 58.200 -0.449 0.000 1.078 202 S CB 0.404 63.385 63.200 -0.365 0.000 0.916 202 S HN 0.364 nan 8.310 nan 0.000 0.495 203 S N 5.398 120.985 115.700 -0.187 0.000 2.533 203 S HA 0.072 4.542 4.470 -0.001 0.000 0.282 203 S C 0.431 175.013 174.600 -0.031 0.000 1.304 203 S CA -0.397 57.830 58.200 0.045 0.000 1.063 203 S CB 0.133 63.424 63.200 0.152 0.000 0.881 203 S HN 0.882 nan 8.310 nan 0.000 0.493 204 W N 2.127 123.228 121.300 -0.332 0.000 2.662 204 W HA 0.031 4.691 4.660 -0.000 0.000 0.249 204 W C 0.879 177.201 176.519 -0.328 0.000 1.251 204 W CA -0.098 56.856 57.345 -0.651 0.000 1.277 204 W CB -1.702 27.386 29.460 -0.619 0.000 1.140 204 W HN 0.852 nan 8.180 nan 0.000 0.645 205 H N -1.767 117.319 119.070 0.026 0.000 4.271 205 H HA -0.196 4.360 4.556 -0.001 0.000 0.260 205 H C 0.882 176.214 175.328 0.007 0.000 0.594 205 H CA 0.494 56.548 56.048 0.011 0.000 0.722 205 H CB -0.075 29.688 29.762 0.002 0.000 1.129 205 H HN 0.040 nan 8.280 nan 0.000 0.302 206 K N 2.517 122.981 120.400 0.107 0.000 2.632 206 K HA -0.078 4.241 4.320 -0.001 0.000 0.196 206 K C 1.150 177.754 176.600 0.008 0.000 1.023 206 K CA 1.285 57.597 56.287 0.041 0.000 1.098 206 K CB 0.073 32.581 32.500 0.013 0.000 0.862 206 K HN 0.573 nan 8.250 nan 0.000 0.504 207 E N -0.840 119.364 120.200 0.006 0.000 2.474 207 E HA 0.024 4.373 4.350 -0.001 0.000 0.215 207 E C 0.564 177.024 176.600 -0.234 0.000 0.867 207 E CA -0.104 56.239 56.400 -0.095 0.000 1.135 207 E CB 0.310 29.967 29.700 -0.071 0.000 1.147 207 E HN 0.096 nan 8.360 nan 0.000 0.534 208 D N 1.446 121.814 120.400 -0.053 0.000 2.277 208 D HA 0.057 4.697 4.640 -0.001 0.000 0.209 208 D C 1.808 178.175 176.300 0.112 0.000 0.970 208 D CA 0.580 54.586 54.000 0.011 0.000 0.874 208 D CB 0.370 41.247 40.800 0.129 0.000 0.982 208 D HN 0.016 nan 8.370 nan 0.000 0.504 209 S N 1.822 117.595 115.700 0.123 0.000 2.353 209 S HA -0.165 4.304 4.470 -0.001 0.000 0.222 209 S C 2.360 177.054 174.600 0.156 0.000 1.035 209 S CA 1.073 59.385 58.200 0.187 0.000 1.025 209 S CB -0.460 62.801 63.200 0.102 0.000 0.902 209 S HN 0.416 nan 8.310 nan 0.000 0.440 210 I N 0.526 121.151 120.570 0.092 0.000 2.118 210 I HA -0.308 3.861 4.170 -0.001 0.000 0.241 210 I C 2.241 178.500 176.117 0.237 0.000 1.070 210 I CA 2.076 63.452 61.300 0.127 0.000 1.327 210 I CB -1.175 36.890 38.000 0.110 0.000 1.034 210 I HN 0.349 nan 8.210 nan 0.000 0.405 211 H N 0.997 120.141 119.070 0.123 0.000 2.353 211 H HA -0.094 4.461 4.556 -0.000 0.000 0.300 211 H C 2.591 178.005 175.328 0.142 0.000 1.090 211 H CA 1.287 57.411 56.048 0.126 0.000 1.327 211 H CB -0.086 29.768 29.762 0.153 0.000 1.383 211 H HN 0.225 nan 8.280 nan 0.000 0.508 212 V N 0.519 120.634 119.914 0.336 0.000 2.324 212 V HA -0.247 3.873 4.120 -0.001 0.000 0.250 212 V C 2.647 178.858 176.094 0.195 0.000 1.060 212 V CA 1.966 64.457 62.300 0.317 0.000 1.042 212 V CB -0.900 31.201 31.823 0.464 0.000 0.650 212 V HN 0.629 nan 8.190 nan 0.000 0.450 213 G N -0.638 108.257 108.800 0.157 0.000 2.403 213 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.216 213 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.216 213 G C 1.636 176.561 174.900 0.042 0.000 1.154 213 G CA 0.950 46.097 45.100 0.080 0.000 0.784 213 G HN 0.355 nan 8.290 nan 0.000 0.538 214 V N 1.147 121.101 119.914 0.068 0.000 2.231 214 V HA -0.276 3.843 4.120 -0.001 0.000 0.250 214 V C 2.805 178.872 176.094 -0.045 0.000 1.058 214 V CA 2.471 64.784 62.300 0.022 0.000 1.022 214 V CB -0.555 31.290 31.823 0.035 0.000 0.640 214 V HN 0.346 nan 8.190 nan 0.000 0.445 215 R N -0.352 120.107 120.500 -0.068 0.000 2.091 215 R HA -0.175 4.164 4.340 -0.001 0.000 0.238 215 R C 2.198 178.355 176.300 -0.238 0.000 1.136 215 R CA 2.393 58.359 56.100 -0.222 0.000 0.959 215 R CB -1.200 28.907 30.300 -0.322 0.000 0.856 215 R HN 0.626 nan 8.270 nan 0.000 0.437 216 C N -0.010 119.208 119.300 -0.137 0.000 2.425 216 C HA -0.040 4.419 4.460 -0.001 0.000 0.277 216 C C 2.467 177.399 174.990 -0.098 0.000 1.280 216 C CA 0.248 59.200 59.018 -0.111 0.000 1.744 216 C CB -0.912 26.805 27.740 -0.039 0.000 1.989 216 C HN 0.470 nan 8.230 nan 0.000 0.491 217 I N 0.999 121.526 120.570 -0.072 0.000 2.208 217 I HA -0.107 4.063 4.170 -0.001 0.000 0.245 217 I C 1.536 177.607 176.117 -0.076 0.000 1.097 217 I CA 1.459 62.724 61.300 -0.059 0.000 1.363 217 I CB -1.403 36.575 38.000 -0.037 0.000 1.051 217 I HN 0.563 nan 8.210 nan 0.000 0.413 218 E N -0.134 120.002 120.200 -0.106 0.000 2.622 218 E HA 0.221 4.570 4.350 -0.001 0.000 0.255 218 E C 0.915 177.422 176.600 -0.156 0.000 1.313 218 E CA -0.316 56.011 56.400 -0.122 0.000 1.011 218 E CB 0.736 30.348 29.700 -0.146 0.000 1.173 218 E HN 0.066 nan 8.360 nan 0.000 0.601 219 M N -1.667 117.839 119.600 -0.155 0.000 2.836 219 M HA -0.323 4.156 4.480 -0.001 0.000 0.158 219 M C 1.353 177.597 176.300 -0.093 0.000 0.682 219 M CA 1.097 56.304 55.300 -0.155 0.000 0.605 219 M CB -1.205 31.251 32.600 -0.240 0.000 2.208 219 M HN 0.498 nan 8.290 nan 0.000 0.264 220 L N 1.039 122.211 121.223 -0.085 0.000 2.131 220 L HA 0.122 4.462 4.340 -0.001 0.000 0.206 220 L C 1.990 178.843 176.870 -0.028 0.000 1.087 220 L CA 1.919 56.727 54.840 -0.053 0.000 0.767 220 L CB -0.220 41.805 42.059 -0.055 0.000 0.917 220 L HN 0.467 nan 8.230 nan 0.000 0.441 221 I N -0.915 119.632 120.570 -0.037 0.000 2.584 221 I HA -0.145 4.024 4.170 -0.001 0.000 0.255 221 I C 2.071 178.178 176.117 -0.018 0.000 1.145 221 I CA 0.724 62.011 61.300 -0.022 0.000 1.462 221 I CB -0.327 37.654 38.000 -0.033 0.000 1.102 221 I HN 0.269 nan 8.210 nan 0.000 0.433 222 E N 0.761 120.941 120.200 -0.034 0.000 2.268 222 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 222 E C 1.997 178.591 176.600 -0.010 0.000 0.995 222 E CA 1.557 57.941 56.400 -0.026 0.000 0.836 222 E CB 0.107 29.779 29.700 -0.047 0.000 0.763 222 E HN 0.584 nan 8.360 nan 0.000 0.491 223 S N -0.332 115.363 115.700 -0.008 0.000 3.200 223 S HA -0.070 4.400 4.470 -0.001 0.000 0.209 223 S C 2.262 176.881 174.600 0.031 0.000 0.869 223 S CA 0.526 58.731 58.200 0.008 0.000 0.820 223 S CB -0.521 62.676 63.200 -0.004 0.000 0.834 223 S HN 0.213 nan 8.310 nan 0.000 0.622 224 T N -0.588 113.983 114.554 0.029 0.000 2.788 224 T HA 0.219 4.568 4.350 -0.001 0.000 0.268 224 T C 1.911 176.708 174.700 0.162 0.000 1.044 224 T CA 1.863 64.001 62.100 0.063 0.000 1.139 224 T CB -1.417 67.454 68.868 0.004 0.000 0.867 224 T HN 1.689 nan 8.240 nan 0.000 0.454 225 G N 1.011 109.872 108.800 0.102 0.000 2.168 225 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.263 225 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.263 225 G C 0.588 175.580 174.900 0.152 0.000 0.977 225 G CA 0.853 46.010 45.100 0.096 0.000 0.659 225 G HN 0.649 nan 8.290 nan 0.000 0.533 226 M N 0.270 120.002 119.600 0.220 0.000 3.231 226 M HA -0.021 4.459 4.480 -0.001 0.000 0.286 226 M C 2.095 178.476 176.300 0.135 0.000 1.056 226 M CA 2.572 58.045 55.300 0.289 0.000 1.066 226 M CB -0.520 32.145 32.600 0.109 0.000 1.191 226 M HN 0.839 nan 8.290 nan 0.000 0.569 227 V N 0.219 120.166 119.914 0.055 0.000 3.139 227 V HA 0.224 4.343 4.120 -0.001 0.000 0.307 227 V C -0.247 175.834 176.094 -0.022 0.000 1.095 227 V CA -0.571 61.734 62.300 0.008 0.000 1.160 227 V CB 0.762 32.579 31.823 -0.011 0.000 1.003 227 V HN 0.522 nan 8.190 nan 0.000 0.489 228 S N 3.811 119.473 115.700 -0.062 0.000 2.570 228 S HA 0.739 5.208 4.470 -0.001 0.000 0.286 228 S C -1.036 173.480 174.600 -0.141 0.000 1.099 228 S CA -0.720 57.414 58.200 -0.110 0.000 0.913 228 S CB 1.608 64.712 63.200 -0.161 0.000 1.085 228 S HN 0.718 nan 8.310 nan 0.000 0.480 229 L N 3.494 124.641 121.223 -0.126 0.000 2.298 229 L HA 0.424 4.763 4.340 -0.001 0.000 0.284 229 L C 0.748 177.562 176.870 -0.093 0.000 1.013 229 L CA -0.368 54.421 54.840 -0.085 0.000 0.824 229 L CB 0.467 42.506 42.059 -0.033 0.000 1.221 229 L HN 0.755 nan 8.230 nan 0.000 0.418 230 H N 3.544 122.611 119.070 -0.005 0.000 2.023 230 H HA 0.209 4.765 4.556 -0.001 0.000 0.345 230 H C 0.153 175.478 175.328 -0.004 0.000 2.037 230 H CA 0.312 56.357 56.048 -0.005 0.000 1.367 230 H CB 0.876 30.636 29.762 -0.004 0.000 1.630 230 H HN 0.359 nan 8.280 nan 0.000 0.505 231 R N 0.108 120.714 120.500 0.176 0.000 2.481 231 R HA 0.047 4.386 4.340 -0.001 0.000 0.396 231 R C -0.367 175.964 176.300 0.051 0.000 0.950 231 R CA -0.293 55.856 56.100 0.081 0.000 1.095 231 R CB 0.434 30.768 30.300 0.057 0.000 1.472 231 R HN 0.480 nan 8.270 nan 0.000 0.628 242 E N 2.440 122.656 120.200 0.026 0.000 2.451 242 E HA 0.279 4.628 4.350 -0.001 0.000 0.295 242 E C -0.537 176.090 176.600 0.044 0.000 0.966 242 E CA -0.329 56.093 56.400 0.036 0.000 0.808 242 E CB 1.936 31.657 29.700 0.035 0.000 1.242 242 E HN 0.795 nan 8.360 nan 0.000 0.412 243 T N 0.398 114.991 114.554 0.065 0.000 2.898 243 T HA 0.487 4.837 4.350 -0.001 0.000 0.301 243 T C 0.761 175.527 174.700 0.111 0.000 1.049 243 T CA -0.626 61.524 62.100 0.084 0.000 1.095 243 T CB 0.490 69.410 68.868 0.087 0.000 0.976 243 T HN 0.260 nan 8.240 nan 0.000 0.539 244 I N 2.269 122.890 120.570 0.086 0.000 2.441 244 I HA 0.521 4.691 4.170 -0.001 0.000 0.295 244 I C 0.364 176.521 176.117 0.067 0.000 0.994 244 I CA -0.815 60.515 61.300 0.051 0.000 1.144 244 I CB 1.297 39.306 38.000 0.016 0.000 1.314 244 I HN 1.047 nan 8.210 nan 0.000 0.445 245 E N 5.788 125.994 120.200 0.011 0.000 2.447 245 E HA 0.718 5.067 4.350 -0.001 0.000 0.258 245 E C -1.659 174.936 176.600 -0.009 0.000 0.916 245 E CA -0.913 55.495 56.400 0.014 0.000 0.846 245 E CB 2.207 31.889 29.700 -0.029 0.000 1.517 245 E HN 0.220 nan 8.360 nan 0.000 0.418 246 L N 0.889 122.117 121.223 0.007 0.000 2.386 246 L HA 0.542 4.882 4.340 -0.001 0.000 0.271 246 L C -0.112 176.764 176.870 0.010 0.000 0.993 246 L CA -0.718 54.137 54.840 0.026 0.000 0.819 246 L CB 1.458 43.548 42.059 0.051 0.000 1.294 246 L HN 0.897 nan 8.230 nan 0.000 0.414 247 A N 4.637 127.461 122.820 0.007 0.000 2.531 247 A HA 0.322 4.642 4.320 -0.001 0.000 0.236 247 A C -1.525 176.031 177.584 -0.047 0.000 1.062 247 A CA -0.559 51.439 52.037 -0.065 0.000 0.760 247 A CB -0.286 18.603 19.000 -0.184 0.000 0.995 247 A HN 0.660 nan 8.150 nan 0.000 0.501 248 P HA -0.166 nan 4.420 nan 0.000 0.226 248 P C 0.849 178.128 177.300 -0.034 0.000 1.146 248 P CA 1.843 64.923 63.100 -0.033 0.000 0.773 248 P CB 0.217 31.894 31.700 -0.038 0.000 0.772 249 E N -2.430 117.714 120.200 -0.094 0.000 2.330 249 E HA -0.029 4.320 4.350 -0.001 0.000 0.200 249 E C 1.098 177.762 176.600 0.105 0.000 0.922 249 E CA 0.100 56.460 56.400 -0.067 0.000 0.935 249 E CB -0.754 28.819 29.700 -0.212 0.000 0.917 249 E HN 0.289 nan 8.360 nan 0.000 0.491 250 Y N 0.412 120.719 120.300 0.013 0.000 2.495 250 Y HA 0.405 4.954 4.550 -0.001 0.000 0.293 250 Y C 1.595 177.509 175.900 0.023 0.000 1.186 250 Y CA -0.279 57.831 58.100 0.016 0.000 1.266 250 Y CB 0.710 39.174 38.460 0.006 0.000 1.101 250 Y HN 0.282 nan 8.280 nan 0.000 0.517 251 A N -0.235 122.684 122.820 0.165 0.000 1.975 251 A HA 0.058 4.378 4.320 -0.001 0.000 0.197 251 A C 1.619 179.267 177.584 0.107 0.000 1.537 251 A CA 0.014 52.121 52.037 0.115 0.000 0.972 251 A CB 0.107 19.156 19.000 0.080 0.000 1.019 251 A HN 0.284 nan 8.150 nan 0.000 0.488 252 E N 0.566 120.819 120.200 0.089 0.000 2.208 252 E HA -0.006 4.344 4.350 -0.001 0.000 0.193 252 E C 2.086 178.736 176.600 0.083 0.000 0.988 252 E CA 0.758 57.201 56.400 0.073 0.000 0.828 252 E CB -0.139 29.590 29.700 0.049 0.000 0.763 252 E HN 0.582 nan 8.360 nan 0.000 0.478 253 A N 1.311 124.196 122.820 0.109 0.000 1.898 253 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 253 A C 2.123 179.769 177.584 0.104 0.000 1.181 253 A CA 0.890 52.993 52.037 0.110 0.000 0.620 253 A CB -0.405 18.686 19.000 0.152 0.000 0.819 253 A HN 0.128 nan 8.150 nan 0.000 0.442 254 I N -0.519 120.126 120.570 0.125 0.000 2.761 254 I HA -0.129 4.041 4.170 -0.001 0.000 0.261 254 I C 2.583 178.801 176.117 0.167 0.000 1.198 254 I CA 0.799 62.194 61.300 0.157 0.000 1.482 254 I CB -0.145 37.962 38.000 0.177 0.000 1.100 254 I HN 0.348 nan 8.210 nan 0.000 0.445 255 A N 0.217 123.110 122.820 0.123 0.000 2.081 255 A HA -0.028 4.291 4.320 -0.001 0.000 0.214 255 A C 2.273 179.860 177.584 0.005 0.000 1.158 255 A CA 1.184 53.258 52.037 0.061 0.000 0.724 255 A CB -0.487 18.559 19.000 0.076 0.000 0.826 255 A HN 0.284 nan 8.150 nan 0.000 0.463 256 T N -0.855 113.719 114.554 0.033 0.000 2.814 256 T HA -0.042 4.308 4.350 -0.001 0.000 0.254 256 T C 2.142 176.848 174.700 0.010 0.000 1.037 256 T CA 0.849 62.961 62.100 0.020 0.000 1.143 256 T CB -0.221 68.669 68.868 0.036 0.000 0.866 256 T HN 0.255 nan 8.240 nan 0.000 0.431 257 R N 1.487 122.008 120.500 0.035 0.000 2.117 257 R HA -0.012 4.328 4.340 -0.001 0.000 0.243 257 R C 2.398 178.709 176.300 0.017 0.000 1.143 257 R CA 1.635 57.758 56.100 0.038 0.000 0.968 257 R CB -0.956 29.390 30.300 0.078 0.000 0.863 257 R HN 0.421 nan 8.270 nan 0.000 0.444 258 A N -0.248 122.572 122.820 -0.001 0.000 1.828 258 A HA -0.090 4.230 4.320 -0.001 0.000 0.215 258 A C 2.376 179.912 177.584 -0.080 0.000 1.203 258 A CA 1.950 53.961 52.037 -0.043 0.000 0.614 258 A CB -1.546 17.180 19.000 -0.456 0.000 0.844 258 A HN 0.442 nan 8.150 nan 0.000 0.445 259 G N -0.448 108.294 108.800 -0.096 0.000 2.597 259 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.222 259 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.222 259 G C 1.712 176.542 174.900 -0.116 0.000 1.135 259 G CA 2.313 47.361 45.100 -0.087 0.000 0.759 259 G HN 0.950 nan 8.290 nan 0.000 0.595 260 A N 0.849 123.613 122.820 -0.094 0.000 1.829 260 A HA -0.016 4.304 4.320 -0.001 0.000 0.216 260 A C 2.473 179.937 177.584 -0.199 0.000 1.207 260 A CA 1.692 53.672 52.037 -0.094 0.000 0.622 260 A CB -0.822 18.148 19.000 -0.051 0.000 0.846 260 A HN 0.376 nan 8.150 nan 0.000 0.447 261 L N -0.691 120.372 121.223 -0.266 0.000 2.010 261 L HA -0.343 3.996 4.340 -0.001 0.000 0.219 261 L C 3.091 179.453 176.870 -0.847 0.000 1.077 261 L CA 1.557 56.107 54.840 -0.483 0.000 0.773 261 L CB -0.965 40.803 42.059 -0.484 0.000 0.892 261 L HN 0.524 nan 8.230 nan 0.000 0.436 262 A N 0.289 122.459 122.820 -1.084 0.000 1.929 262 A HA -0.243 4.077 4.320 -0.001 0.000 0.221 262 A C 1.909 179.115 177.584 -0.630 0.000 1.211 262 A CA 2.177 53.659 52.037 -0.926 0.000 0.657 262 A CB -1.324 17.484 19.000 -0.319 0.000 0.827 262 A HN 0.521 nan 8.150 nan 0.000 0.462 263 G N -0.879 107.625 108.800 -0.494 0.000 3.882 263 G HA2 0.434 4.394 3.960 -0.001 0.000 0.283 263 G HA3 0.434 4.394 3.960 -0.001 0.000 0.283 263 G C 0.320 175.039 174.900 -0.302 0.000 1.283 263 G CA 0.503 45.223 45.100 -0.633 0.000 1.402 263 G HN 0.978 nan 8.290 nan 0.000 0.618 264 I N -2.638 117.747 120.570 -0.308 0.000 4.050 264 I HA 0.338 4.508 4.170 -0.001 0.000 0.328 264 I C 0.398 176.435 176.117 -0.134 0.000 1.439 264 I CA -0.588 60.633 61.300 -0.131 0.000 1.099 264 I CB 0.672 38.619 38.000 -0.088 0.000 1.469 264 I HN -0.012 nan 8.210 nan 0.000 0.572 265 S N 0.625 116.182 115.700 -0.237 0.000 2.472 265 S HA 0.542 5.012 4.470 -0.001 0.000 0.191 265 S C -2.737 171.690 174.600 -0.288 0.000 1.244 265 S CA -0.722 57.368 58.200 -0.183 0.000 1.227 265 S CB -0.063 63.051 63.200 -0.143 0.000 1.381 265 S HN 0.224 nan 8.310 nan 0.000 0.394 266 P HA 0.258 nan 4.420 nan 0.000 0.275 266 P C -0.396 176.524 177.300 -0.633 0.000 1.227 266 P CA -0.323 62.411 63.100 -0.609 0.000 0.781 266 P CB 0.657 31.892 31.700 -0.775 0.000 0.906 267 M N 2.896 122.291 119.600 -0.342 0.000 3.237 267 M HA 0.173 4.652 4.480 -0.001 0.000 0.266 267 M C -0.220 176.048 176.300 -0.053 0.000 1.456 267 M CA -0.277 54.946 55.300 -0.129 0.000 1.593 267 M CB -1.011 31.589 32.600 -0.000 0.000 1.129 267 M HN 0.181 nan 8.290 nan 0.000 0.547 268 F N 1.845 121.844 119.950 0.083 0.000 2.623 268 F HA -0.040 4.487 4.527 -0.001 0.000 0.383 268 F C 1.001 176.933 175.800 0.219 0.000 1.077 268 F CA 0.633 58.685 58.000 0.087 0.000 1.268 268 F CB 0.108 39.210 39.000 0.171 0.000 1.053 268 F HN 0.456 nan 8.300 nan 0.000 0.571 269 Q N 4.987 125.023 119.800 0.393 0.000 2.359 269 Q HA 0.461 4.801 4.340 -0.001 0.000 0.275 269 Q C -2.343 173.833 176.000 0.293 0.000 1.082 269 Q CA -2.249 53.775 55.803 0.368 0.000 0.849 269 Q CB 1.728 30.686 28.738 0.367 0.000 1.377 269 Q HN 0.278 nan 8.270 nan 0.000 0.452 270 P HA 0.027 nan 4.420 nan 0.000 0.274 270 P C -0.586 176.617 177.300 -0.162 0.000 1.264 270 P CA -0.215 62.707 63.100 -0.297 0.000 0.795 270 P CB 0.530 31.693 31.700 -0.896 0.000 1.064 271 C N -0.610 118.613 119.300 -0.129 0.000 2.397 271 C HA 0.296 4.755 4.460 -0.001 0.000 0.343 271 C C 1.998 177.077 174.990 0.147 0.000 1.188 271 C CA -0.419 58.653 59.018 0.091 0.000 1.992 271 C CB 1.038 28.867 27.740 0.149 0.000 2.358 271 C HN 0.461 nan 8.230 nan 0.000 0.518 272 V N 0.480 120.501 119.914 0.178 0.000 3.649 272 V HA 0.251 4.371 4.120 -0.001 0.000 0.275 272 V C 0.423 176.656 176.094 0.232 0.000 1.281 272 V CA 0.355 62.814 62.300 0.266 0.000 1.143 272 V CB -1.199 30.784 31.823 0.265 0.000 0.892 272 V HN 0.777 nan 8.190 nan 0.000 0.441 273 V N -5.136 114.686 119.914 -0.153 0.000 3.159 273 V HA 0.756 4.875 4.120 -0.001 0.000 0.308 273 V C -3.179 172.163 176.094 -1.253 0.000 1.190 273 V CA -2.856 58.881 62.300 -0.939 0.000 1.037 273 V CB 1.785 33.063 31.823 -0.908 0.000 1.060 273 V HN 0.025 nan 8.190 nan 0.000 0.437 274 P HA 0.249 nan 4.420 nan 0.000 0.265 274 P C -2.638 174.490 177.300 -0.286 0.000 1.187 274 P CA -0.239 62.131 63.100 -1.216 0.000 0.766 274 P CB -0.312 30.971 31.700 -0.695 0.000 0.820 275 P HA 0.021 nan 4.420 nan 0.000 0.270 275 P C -0.354 176.862 177.300 -0.140 0.000 1.227 275 P CA -0.022 63.042 63.100 -0.060 0.000 0.788 275 P CB 0.375 32.043 31.700 -0.055 0.000 0.926 276 K N 2.842 122.837 120.400 -0.675 0.000 2.349 276 K HA 0.204 4.523 4.320 -0.001 0.000 0.288 276 K C -2.302 173.875 176.600 -0.706 0.000 1.058 276 K CA -1.704 53.827 56.287 -1.261 0.000 0.953 276 K CB -0.339 30.991 32.500 -1.950 0.000 0.997 276 K HN 0.257 nan 8.250 nan 0.000 0.477 277 P HA -0.063 nan 4.420 nan 0.000 0.267 277 P C -1.214 175.964 177.300 -0.204 0.000 1.200 277 P CA 0.085 63.083 63.100 -0.170 0.000 0.772 277 P CB 0.330 31.988 31.700 -0.069 0.000 0.855 278 W N 1.479 122.748 121.300 -0.052 0.000 2.316 278 W HA 0.352 5.011 4.660 -0.001 0.000 0.311 278 W C 1.038 177.519 176.519 -0.064 0.000 1.217 278 W CA 0.291 57.648 57.345 0.020 0.000 1.199 278 W CB 0.413 29.991 29.460 0.197 0.000 1.202 278 W HN 0.339 nan 8.180 nan 0.000 0.528 279 T N -0.148 114.434 114.554 0.047 0.000 3.144 279 T HA 0.550 4.900 4.350 -0.001 0.000 0.290 279 T C 0.248 174.815 174.700 -0.221 0.000 0.966 279 T CA 0.076 62.050 62.100 -0.210 0.000 0.907 279 T CB -0.071 68.721 68.868 -0.127 0.000 1.152 279 T HN 0.560 nan 8.240 nan 0.000 0.532 280 G N 1.239 110.073 108.800 0.056 0.000 2.523 280 G HA2 0.446 4.406 3.960 -0.001 0.000 0.291 280 G HA3 0.446 4.406 3.960 -0.001 0.000 0.291 280 G C 0.289 175.474 174.900 0.475 0.000 1.450 280 G CA -0.320 44.903 45.100 0.205 0.000 0.790 280 G HN 0.313 nan 8.290 nan 0.000 0.496 281 I N -0.779 120.028 120.570 0.396 0.000 2.953 281 I HA 0.102 4.272 4.170 -0.001 0.000 0.271 281 I C 0.438 176.774 176.117 0.365 0.000 1.286 281 I CA 1.743 63.247 61.300 0.340 0.000 1.449 281 I CB -1.906 36.248 38.000 0.257 0.000 1.086 281 I HN 0.593 nan 8.210 nan 0.000 0.483 282 T N -3.013 111.744 114.554 0.339 0.000 2.894 282 T HA 0.677 5.027 4.350 -0.001 0.000 0.309 282 T C 0.454 175.192 174.700 0.064 0.000 1.208 282 T CA -0.067 62.187 62.100 0.257 0.000 1.016 282 T CB 1.582 70.541 68.868 0.152 0.000 1.192 282 T HN 0.649 nan 8.240 nan 0.000 0.491 283 G N 0.053 108.782 108.800 -0.119 0.000 2.144 283 G HA2 0.158 4.118 3.960 -0.001 0.000 0.218 283 G HA3 0.158 4.118 3.960 -0.001 0.000 0.218 283 G C 0.394 174.868 174.900 -0.710 0.000 0.988 283 G CA -0.022 44.900 45.100 -0.298 0.000 0.659 283 G HN 1.352 nan 8.290 nan 0.000 0.522 284 G N -1.781 106.123 108.800 -1.494 0.000 2.488 284 G HA2 0.739 4.699 3.960 -0.001 0.000 0.318 284 G HA3 0.739 4.699 3.960 -0.001 0.000 0.318 284 G C 1.217 175.147 174.900 -1.617 0.000 1.188 284 G CA 1.164 44.766 45.100 -2.496 0.000 0.944 284 G HN 1.754 nan 8.290 nan 0.000 0.495 285 G N -0.548 107.548 108.800 -1.173 0.000 4.951 285 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.295 285 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.295 285 G C 0.306 174.749 174.900 -0.763 0.000 1.540 285 G CA 0.499 45.166 45.100 -0.721 0.000 1.044 285 G HN 0.852 nan 8.290 nan 0.000 0.731 286 Y N 0.228 120.366 120.300 -0.270 0.000 2.307 286 Y HA 0.515 5.065 4.550 -0.001 0.000 0.324 286 Y C 1.171 176.942 175.900 -0.215 0.000 1.238 286 Y CA -0.324 57.718 58.100 -0.097 0.000 1.280 286 Y CB 0.800 39.305 38.460 0.075 0.000 1.248 286 Y HN 0.419 nan 8.280 nan 0.000 0.508 287 W N 0.534 121.909 121.300 0.126 0.000 2.576 287 W HA 0.273 4.932 4.660 -0.001 0.000 0.275 287 W C 0.798 177.357 176.519 0.066 0.000 1.241 287 W CA 0.348 57.723 57.345 0.050 0.000 1.328 287 W CB -0.282 29.206 29.460 0.046 0.000 1.092 287 W HN 0.490 nan 8.180 nan 0.000 0.586 288 A N 2.128 125.139 122.820 0.318 0.000 2.545 288 A HA 0.010 4.330 4.320 -0.001 0.000 0.253 288 A C 0.235 177.894 177.584 0.124 0.000 1.074 288 A CA 0.093 52.248 52.037 0.197 0.000 0.760 288 A CB -0.347 18.747 19.000 0.157 0.000 1.005 288 A HN 0.131 nan 8.150 nan 0.000 0.506 289 N N 2.500 121.255 118.700 0.093 0.000 2.448 289 N HA 0.264 5.003 4.740 -0.001 0.000 0.250 289 N C 0.445 175.973 175.510 0.030 0.000 1.136 289 N CA 0.579 53.660 53.050 0.052 0.000 0.953 289 N CB 1.186 39.700 38.487 0.046 0.000 1.251 289 N HN 0.798 nan 8.380 nan 0.000 0.502 290 G N 0.573 109.391 108.800 0.029 0.000 2.552 290 G HA2 0.242 4.201 3.960 -0.001 0.000 0.318 290 G HA3 0.242 4.201 3.960 -0.001 0.000 0.318 290 G C 0.916 175.828 174.900 0.021 0.000 1.240 290 G CA -0.474 44.626 45.100 0.000 0.000 1.002 290 G HN 0.426 nan 8.290 nan 0.000 0.493 291 R N -0.737 119.771 120.500 0.014 0.000 2.148 291 R HA 0.006 4.346 4.340 -0.001 0.000 0.227 291 R C 0.335 176.669 176.300 0.056 0.000 1.103 291 R CA 0.673 56.792 56.100 0.032 0.000 0.983 291 R CB 0.027 30.344 30.300 0.028 0.000 0.874 291 R HN 0.152 nan 8.270 nan 0.000 0.451 292 R N 1.719 122.269 120.500 0.082 0.000 2.790 292 R HA 0.274 4.614 4.340 -0.001 0.000 0.274 292 R C -2.172 174.208 176.300 0.134 0.000 1.334 292 R CA -1.656 54.510 56.100 0.109 0.000 1.543 292 R CB 0.235 30.615 30.300 0.133 0.000 1.154 292 R HN 0.191 nan 8.270 nan 0.000 0.601 293 P HA 0.052 nan 4.420 nan 0.000 0.274 293 P C -0.134 177.246 177.300 0.133 0.000 1.264 293 P CA -0.621 62.539 63.100 0.100 0.000 0.795 293 P CB 0.910 32.640 31.700 0.051 0.000 1.064 294 L N 0.048 121.330 121.223 0.098 0.000 2.350 294 L HA 0.498 4.838 4.340 -0.001 0.000 0.275 294 L C 0.242 177.282 176.870 0.282 0.000 1.099 294 L CA -0.317 54.615 54.840 0.154 0.000 0.808 294 L CB 0.440 42.546 42.059 0.077 0.000 1.149 294 L HN 0.571 nan 8.230 nan 0.000 0.442 295 A N 3.298 126.306 122.820 0.312 0.000 2.337 295 A HA 0.477 4.797 4.320 -0.001 0.000 0.329 295 A C 0.475 178.171 177.584 0.187 0.000 1.146 295 A CA -0.519 51.691 52.037 0.289 0.000 0.800 295 A CB 0.902 19.988 19.000 0.142 0.000 1.220 295 A HN 0.783 nan 8.150 nan 0.000 0.472 296 L N 2.666 123.886 121.223 -0.005 0.000 2.093 296 L HA 0.053 4.392 4.340 -0.001 0.000 0.208 296 L C 0.419 177.037 176.870 -0.420 0.000 1.085 296 L CA 1.902 56.381 54.840 -0.601 0.000 0.755 296 L CB -0.039 41.705 42.059 -0.526 0.000 0.904 296 L HN 0.451 nan 8.230 nan 0.000 0.435 297 V N 0.688 120.446 119.914 -0.261 0.000 2.417 297 V HA 0.332 4.451 4.120 -0.001 0.000 0.291 297 V C 0.284 176.329 176.094 -0.083 0.000 1.024 297 V CA -0.753 61.420 62.300 -0.211 0.000 0.861 297 V CB 1.386 32.998 31.823 -0.351 0.000 0.985 297 V HN 0.104 nan 8.190 nan 0.000 0.436 298 R N 3.098 123.566 120.500 -0.054 0.000 3.247 298 R HA 0.227 4.567 4.340 -0.001 0.000 0.212 298 R C 0.556 176.837 176.300 -0.033 0.000 1.604 298 R CA -0.136 55.950 56.100 -0.023 0.000 1.279 298 R CB -0.123 30.146 30.300 -0.051 0.000 1.277 298 R HN 0.903 nan 8.270 nan 0.000 0.669 299 T N -2.449 112.064 114.554 -0.069 0.000 2.881 299 T HA 0.208 4.557 4.350 -0.001 0.000 0.278 299 T C 0.937 175.511 174.700 -0.209 0.000 0.982 299 T CA -0.797 61.169 62.100 -0.224 0.000 0.989 299 T CB 1.447 70.270 68.868 -0.075 0.000 1.058 299 T HN 0.396 nan 8.240 nan 0.000 0.529 300 H N 0.314 119.364 119.070 -0.035 0.000 2.406 300 H HA 0.243 4.799 4.556 -0.001 0.000 0.304 300 H C 1.339 176.653 175.328 -0.022 0.000 1.042 300 H CA 0.787 56.819 56.048 -0.026 0.000 1.360 300 H CB -0.494 29.237 29.762 -0.053 0.000 1.448 300 H HN 0.717 nan 8.280 nan 0.000 0.553 301 S N 1.446 117.173 115.700 0.046 0.000 2.508 301 S HA 0.188 4.657 4.470 -0.001 0.000 0.284 301 S C 1.208 175.803 174.600 -0.008 0.000 1.192 301 S CA -0.805 57.402 58.200 0.011 0.000 1.070 301 S CB 2.778 65.964 63.200 -0.024 0.000 1.004 301 S HN 0.304 nan 8.310 nan 0.000 0.493 302 K N 1.905 122.307 120.400 0.003 0.000 2.160 302 K HA -0.189 4.131 4.320 -0.001 0.000 0.206 302 K C 1.256 177.844 176.600 -0.021 0.000 1.047 302 K CA 1.406 57.697 56.287 0.006 0.000 0.930 302 K CB -0.158 32.348 32.500 0.011 0.000 0.720 302 K HN 0.497 nan 8.250 nan 0.000 0.450 303 K N 0.607 120.976 120.400 -0.051 0.000 2.063 303 K HA -0.086 4.234 4.320 -0.001 0.000 0.208 303 K C 1.945 178.456 176.600 -0.148 0.000 1.048 303 K CA 1.515 57.742 56.287 -0.100 0.000 0.928 303 K CB -0.571 31.863 32.500 -0.111 0.000 0.713 303 K HN 0.314 nan 8.250 nan 0.000 0.442 304 A N 0.472 123.217 122.820 -0.125 0.000 1.933 304 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 304 A C 2.146 179.721 177.584 -0.015 0.000 1.175 304 A CA 1.455 53.409 52.037 -0.139 0.000 0.628 304 A CB -0.587 18.345 19.000 -0.113 0.000 0.814 304 A HN 0.246 nan 8.150 nan 0.000 0.444 305 L N -1.070 120.187 121.223 0.057 0.000 2.044 305 L HA -0.058 4.282 4.340 -0.001 0.000 0.205 305 L C 2.245 179.215 176.870 0.166 0.000 1.075 305 L CA 1.724 56.675 54.840 0.185 0.000 0.747 305 L CB -0.416 41.709 42.059 0.109 0.000 0.903 305 L HN 0.271 nan 8.230 nan 0.000 0.435 306 M N -0.717 118.901 119.600 0.029 0.000 2.435 306 M HA -0.186 4.294 4.480 -0.001 0.000 0.262 306 M C 2.274 178.512 176.300 -0.104 0.000 1.065 306 M CA 1.137 56.431 55.300 -0.008 0.000 1.076 306 M CB -1.281 31.293 32.600 -0.043 0.000 1.403 306 M HN 0.292 nan 8.290 nan 0.000 0.454 307 R N -0.574 119.767 120.500 -0.264 0.000 2.241 307 R HA -0.158 4.182 4.340 -0.001 0.000 0.224 307 R C 1.229 177.203 176.300 -0.543 0.000 1.101 307 R CA 1.348 57.070 56.100 -0.630 0.000 0.995 307 R CB -0.053 29.526 30.300 -1.202 0.000 0.870 307 R HN 0.320 nan 8.270 nan 0.000 0.463 308 Y N -0.828 119.441 120.300 -0.051 0.000 2.478 308 Y HA 0.092 4.641 4.550 -0.001 0.000 0.261 308 Y C 1.833 177.793 175.900 0.100 0.000 1.127 308 Y CA 0.367 58.520 58.100 0.089 0.000 1.288 308 Y CB 0.091 38.620 38.460 0.115 0.000 1.084 308 Y HN 0.110 nan 8.280 nan 0.000 0.530 309 E N 1.419 121.717 120.200 0.163 0.000 2.172 309 E HA -0.295 4.055 4.350 -0.001 0.000 0.213 309 E C 0.392 177.077 176.600 0.141 0.000 1.051 309 E CA 2.456 58.935 56.400 0.132 0.000 0.860 309 E CB -0.219 29.514 29.700 0.054 0.000 0.755 309 E HN 0.436 nan 8.360 nan 0.000 0.462 310 D N -1.087 119.383 120.400 0.117 0.000 2.513 310 D HA 0.106 4.745 4.640 -0.001 0.000 0.222 310 D C -0.776 175.629 176.300 0.176 0.000 1.210 310 D CA 0.365 54.443 54.000 0.129 0.000 0.825 310 D CB 1.014 41.861 40.800 0.077 0.000 1.037 310 D HN 0.204 nan 8.370 nan 0.000 0.506 311 V N 0.281 120.324 119.914 0.214 0.000 2.572 311 V HA 0.210 4.329 4.120 -0.001 0.000 0.291 311 V C -0.405 175.877 176.094 0.314 0.000 1.039 311 V CA -0.515 61.932 62.300 0.245 0.000 1.055 311 V CB 0.388 32.358 31.823 0.245 0.000 0.969 311 V HN 0.086 nan 8.190 nan 0.000 0.482 312 Y N 8.017 128.411 120.300 0.157 0.000 2.452 312 Y HA 0.618 5.167 4.550 -0.001 0.000 0.348 312 Y C 0.465 176.468 175.900 0.171 0.000 0.985 312 Y CA -1.087 57.109 58.100 0.160 0.000 1.214 312 Y CB 1.058 39.584 38.460 0.110 0.000 1.136 312 Y HN 0.885 nan 8.280 nan 0.000 0.523 313 M N 7.603 127.128 119.600 -0.125 0.000 3.951 313 M HA 0.303 4.782 4.480 -0.001 0.000 0.444 313 M C -2.654 173.590 176.300 -0.094 0.000 1.957 313 M CA -1.513 53.718 55.300 -0.115 0.000 0.521 313 M CB 1.178 33.803 32.600 0.041 0.000 1.436 313 M HN 0.200 nan 8.290 nan 0.000 0.525 314 P HA -0.220 nan 4.420 nan 0.000 0.216 314 P C 0.850 178.142 177.300 -0.013 0.000 1.157 314 P CA 1.814 64.833 63.100 -0.134 0.000 0.880 314 P CB 0.091 31.625 31.700 -0.276 0.000 0.791 315 E N -0.356 119.811 120.200 -0.055 0.000 2.153 315 E HA -0.081 4.268 4.350 -0.001 0.000 0.194 315 E C 2.233 178.808 176.600 -0.042 0.000 0.988 315 E CA 0.710 57.094 56.400 -0.026 0.000 0.811 315 E CB -0.920 28.770 29.700 -0.018 0.000 0.746 315 E HN 0.192 nan 8.360 nan 0.000 0.466 316 V N 0.407 120.284 119.914 -0.061 0.000 2.270 316 V HA -0.238 3.882 4.120 -0.001 0.000 0.245 316 V C 2.030 178.007 176.094 -0.194 0.000 1.043 316 V CA 1.482 63.694 62.300 -0.147 0.000 1.014 316 V CB -0.732 31.011 31.823 -0.135 0.000 0.645 316 V HN 0.164 nan 8.190 nan 0.000 0.447 317 Y N 0.631 120.884 120.300 -0.078 0.000 2.315 317 Y HA -0.187 4.363 4.550 -0.001 0.000 0.288 317 Y C 2.493 178.359 175.900 -0.057 0.000 1.154 317 Y CA 1.450 59.514 58.100 -0.061 0.000 1.229 317 Y CB -0.280 38.176 38.460 -0.008 0.000 0.980 317 Y HN 0.197 nan 8.280 nan 0.000 0.540 318 K N -0.838 119.604 120.400 0.069 0.000 2.076 318 K HA -0.033 4.287 4.320 -0.001 0.000 0.204 318 K C 2.358 178.913 176.600 -0.076 0.000 1.051 318 K CA 0.741 57.035 56.287 0.012 0.000 0.949 318 K CB -0.198 32.308 32.500 0.011 0.000 0.726 318 K HN 0.232 nan 8.250 nan 0.000 0.443 319 A N 2.130 124.874 122.820 -0.126 0.000 1.841 319 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 319 A C 2.023 179.466 177.584 -0.235 0.000 1.199 319 A CA 1.357 53.267 52.037 -0.213 0.000 0.621 319 A CB -0.625 18.232 19.000 -0.239 0.000 0.835 319 A HN 0.110 nan 8.150 nan 0.000 0.445 320 I N 0.687 121.117 120.570 -0.233 0.000 2.145 320 I HA -0.315 3.854 4.170 -0.001 0.000 0.244 320 I C 2.120 178.202 176.117 -0.058 0.000 1.075 320 I CA 1.996 63.162 61.300 -0.223 0.000 1.332 320 I CB -1.986 35.797 38.000 -0.360 0.000 1.033 320 I HN 0.479 nan 8.210 nan 0.000 0.410 321 N N 0.657 119.372 118.700 0.026 0.000 2.028 321 N HA -0.134 4.605 4.740 -0.001 0.000 0.194 321 N C 2.015 177.542 175.510 0.028 0.000 1.050 321 N CA 1.214 54.329 53.050 0.107 0.000 0.848 321 N CB -0.145 38.412 38.487 0.117 0.000 1.038 321 N HN 0.195 nan 8.380 nan 0.000 0.423 322 I N 1.406 121.935 120.570 -0.068 0.000 2.113 322 I HA -0.366 3.804 4.170 -0.001 0.000 0.242 322 I C 2.474 178.566 176.117 -0.042 0.000 1.057 322 I CA 1.403 62.624 61.300 -0.131 0.000 1.314 322 I CB -0.565 37.251 38.000 -0.307 0.000 1.022 322 I HN 0.235 nan 8.210 nan 0.000 0.408 323 A N 0.590 123.314 122.820 -0.160 0.000 1.978 323 A HA -0.264 4.055 4.320 -0.001 0.000 0.220 323 A C 2.270 179.811 177.584 -0.072 0.000 1.170 323 A CA 1.960 53.865 52.037 -0.220 0.000 0.636 323 A CB -0.758 17.922 19.000 -0.532 0.000 0.810 323 A HN 0.727 nan 8.150 nan 0.000 0.448 324 Q N -1.220 118.631 119.800 0.085 0.000 2.451 324 Q HA 0.024 4.364 4.340 -0.001 0.000 0.206 324 Q C 0.824 177.096 176.000 0.453 0.000 0.947 324 Q CA 1.185 57.245 55.803 0.428 0.000 0.937 324 Q CB -0.365 28.668 28.738 0.492 0.000 1.025 324 Q HN 0.538 nan 8.270 nan 0.000 0.511 325 N N 0.551 119.453 118.700 0.336 0.000 2.383 325 N HA 0.041 4.780 4.740 -0.001 0.000 0.192 325 N C -0.801 175.051 175.510 0.570 0.000 1.141 325 N CA 0.190 53.463 53.050 0.371 0.000 0.851 325 N CB 0.522 39.132 38.487 0.205 0.000 0.976 325 N HN 0.116 nan 8.380 nan 0.000 0.465 326 T N 0.883 115.760 114.554 0.538 0.000 2.752 326 T HA 0.328 4.677 4.350 -0.001 0.000 0.295 326 T C 0.109 174.947 174.700 0.229 0.000 0.923 326 T CA -0.423 61.892 62.100 0.358 0.000 1.112 326 T CB 0.738 69.828 68.868 0.370 0.000 0.884 326 T HN 0.146 nan 8.240 nan 0.000 0.525 327 A N 4.407 127.163 122.820 -0.108 0.000 2.354 327 A HA 0.547 4.867 4.320 -0.001 0.000 0.281 327 A C -0.654 176.595 177.584 -0.557 0.000 1.174 327 A CA -0.650 50.928 52.037 -0.765 0.000 0.828 327 A CB 0.117 18.818 19.000 -0.500 0.000 1.099 327 A HN 0.850 nan 8.150 nan 0.000 0.516 328 W N 1.449 122.412 121.300 -0.562 0.000 2.655 328 W HA 0.663 5.322 4.660 -0.000 0.000 0.358 328 W C 0.343 176.699 176.519 -0.271 0.000 1.100 328 W CA -0.309 56.892 57.345 -0.241 0.000 1.195 328 W CB 1.565 31.041 29.460 0.026 0.000 1.403 328 W HN 0.722 nan 8.180 nan 0.000 0.589 329 K N 0.628 121.109 120.400 0.136 0.000 2.551 329 K HA 0.540 4.860 4.320 -0.001 0.000 0.269 329 K C -1.050 175.653 176.600 0.172 0.000 0.949 329 K CA -0.870 55.467 56.287 0.084 0.000 0.849 329 K CB 1.426 33.931 32.500 0.008 0.000 1.411 329 K HN 0.217 nan 8.250 nan 0.000 0.432 330 I N 2.124 122.801 120.570 0.179 0.000 2.692 330 I HA -0.001 4.169 4.170 -0.001 0.000 0.284 330 I C 0.258 176.463 176.117 0.146 0.000 1.159 330 I CA -0.077 61.344 61.300 0.201 0.000 1.423 330 I CB 0.335 38.453 38.000 0.198 0.000 1.380 330 I HN 0.756 nan 8.210 nan 0.000 0.580 331 N N 5.997 124.788 118.700 0.152 0.000 2.719 331 N HA 0.067 4.807 4.740 -0.001 0.000 0.243 331 N C 0.898 176.464 175.510 0.094 0.000 1.104 331 N CA -0.095 53.030 53.050 0.124 0.000 0.981 331 N CB 0.482 39.068 38.487 0.166 0.000 1.290 331 N HN 0.451 nan 8.380 nan 0.000 0.513 332 K N 2.044 122.475 120.400 0.053 0.000 2.034 332 K HA -0.209 4.111 4.320 -0.001 0.000 0.214 332 K C 1.412 178.008 176.600 -0.007 0.000 1.051 332 K CA 1.638 57.938 56.287 0.023 0.000 0.931 332 K CB 0.180 32.680 32.500 0.001 0.000 0.715 332 K HN 0.487 nan 8.250 nan 0.000 0.446 333 K N 0.459 120.808 120.400 -0.085 0.000 2.063 333 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 333 K C 2.091 178.727 176.600 0.060 0.000 1.048 333 K CA 1.491 57.644 56.287 -0.224 0.000 0.928 333 K CB -0.196 31.827 32.500 -0.796 0.000 0.713 333 K HN -0.020 nan 8.250 nan 0.000 0.442 334 V N 2.007 122.053 119.914 0.220 0.000 2.515 334 V HA -0.193 3.926 4.120 -0.001 0.000 0.250 334 V C 2.193 178.387 176.094 0.167 0.000 1.058 334 V CA 1.214 63.697 62.300 0.305 0.000 1.064 334 V CB -0.373 31.619 31.823 0.282 0.000 0.675 334 V HN 0.333 nan 8.190 nan 0.000 0.461 335 L N 0.060 121.346 121.223 0.105 0.000 2.027 335 L HA -0.154 4.186 4.340 -0.001 0.000 0.206 335 L C 2.689 179.590 176.870 0.052 0.000 1.074 335 L CA 1.807 56.682 54.840 0.058 0.000 0.745 335 L CB -0.630 41.460 42.059 0.051 0.000 0.898 335 L HN 0.376 nan 8.230 nan 0.000 0.433 336 A N -0.374 122.479 122.820 0.054 0.000 1.884 336 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 336 A C 2.189 179.815 177.584 0.070 0.000 1.197 336 A CA 2.365 54.431 52.037 0.049 0.000 0.637 336 A CB -1.051 17.968 19.000 0.031 0.000 0.827 336 A HN 0.319 nan 8.150 nan 0.000 0.450 337 V N -0.272 119.705 119.914 0.106 0.000 2.216 337 V HA -0.251 3.868 4.120 -0.001 0.000 0.243 337 V C 3.085 179.257 176.094 0.130 0.000 1.044 337 V CA 2.200 64.569 62.300 0.115 0.000 0.995 337 V CB -1.562 30.325 31.823 0.107 0.000 0.633 337 V HN 0.676 nan 8.190 nan 0.000 0.446 338 A N 0.322 123.251 122.820 0.181 0.000 1.915 338 A HA -0.358 3.962 4.320 -0.001 0.000 0.220 338 A C 2.098 179.695 177.584 0.020 0.000 1.198 338 A CA 2.541 54.627 52.037 0.081 0.000 0.647 338 A CB -0.995 17.881 19.000 -0.207 0.000 0.825 338 A HN 0.625 nan 8.150 nan 0.000 0.456 339 N N -0.166 118.542 118.700 0.013 0.000 2.036 339 N HA -0.188 4.551 4.740 -0.001 0.000 0.195 339 N C 1.962 177.488 175.510 0.028 0.000 1.037 339 N CA 2.576 55.634 53.050 0.013 0.000 0.855 339 N CB -0.594 37.903 38.487 0.017 0.000 1.033 339 N HN 0.597 nan 8.380 nan 0.000 0.423 340 V N -0.956 118.973 119.914 0.025 0.000 2.446 340 V HA 0.073 4.193 4.120 -0.001 0.000 0.244 340 V C 2.195 178.223 176.094 -0.110 0.000 1.039 340 V CA 0.915 63.235 62.300 0.033 0.000 1.045 340 V CB -0.743 31.128 31.823 0.079 0.000 0.681 340 V HN 0.119 nan 8.190 nan 0.000 0.459 341 I N 2.306 122.706 120.570 -0.283 0.000 2.850 341 I HA -0.171 3.998 4.170 -0.001 0.000 0.266 341 I C 2.229 178.243 176.117 -0.172 0.000 1.257 341 I CA 1.811 62.741 61.300 -0.617 0.000 1.465 341 I CB -0.047 37.730 38.000 -0.372 0.000 1.091 341 I HN 0.660 nan 8.210 nan 0.000 0.467 342 T N -3.921 110.642 114.554 0.016 0.000 3.107 342 T HA 0.099 4.448 4.350 -0.001 0.000 0.249 342 T C 1.566 176.345 174.700 0.132 0.000 1.096 342 T CA -0.046 62.117 62.100 0.105 0.000 1.012 342 T CB 0.065 68.986 68.868 0.087 0.000 0.977 342 T HN 0.264 nan 8.240 nan 0.000 0.527 343 K N -0.422 120.076 120.400 0.162 0.000 2.202 343 K HA 0.136 4.456 4.320 -0.001 0.000 0.201 343 K C -0.012 176.763 176.600 0.292 0.000 1.051 343 K CA -0.411 55.993 56.287 0.195 0.000 0.977 343 K CB 0.073 32.684 32.500 0.186 0.000 0.792 343 K HN 0.237 nan 8.250 nan 0.000 0.469 344 W N 3.451 124.786 121.300 0.059 0.000 2.711 344 W HA -0.170 4.490 4.660 -0.001 0.000 0.323 344 W C 1.508 178.016 176.519 -0.018 0.000 1.012 344 W CA 0.373 57.741 57.345 0.039 0.000 1.223 344 W CB 0.074 29.581 29.460 0.078 0.000 1.120 344 W HN 0.123 nan 8.180 nan 0.000 0.550 345 K N 1.726 122.122 120.400 -0.007 0.000 1.978 345 K HA -0.188 4.131 4.320 -0.001 0.000 0.214 345 K C 0.359 176.808 176.600 -0.251 0.000 1.049 345 K CA 1.441 57.585 56.287 -0.238 0.000 0.939 345 K CB -0.234 31.976 32.500 -0.483 0.000 0.721 345 K HN 0.342 nan 8.250 nan 0.000 0.441 346 H N -0.017 119.109 119.070 0.093 0.000 2.691 346 H HA 0.139 4.694 4.556 -0.001 0.000 0.281 346 H C -0.699 174.798 175.328 0.282 0.000 1.121 346 H CA -0.924 55.199 56.048 0.126 0.000 1.254 346 H CB 0.289 30.078 29.762 0.045 0.000 1.390 346 H HN 0.209 nan 8.280 nan 0.000 0.491 347 C N 5.974 125.504 119.300 0.383 0.000 2.644 347 C HA 0.126 4.586 4.460 -0.001 0.000 0.417 347 C C -0.427 174.703 174.990 0.234 0.000 1.304 347 C CA -1.103 58.139 59.018 0.373 0.000 2.035 347 C CB 0.233 28.111 27.740 0.229 0.000 2.673 347 C HN 0.654 nan 8.230 nan 0.000 0.602 348 P HA 0.025 nan 4.420 nan 0.000 0.245 348 P C -0.086 177.123 177.300 -0.152 0.000 1.212 348 P CA 0.783 63.883 63.100 0.001 0.000 0.774 348 P CB -0.062 31.610 31.700 -0.047 0.000 0.999 349 V N 1.756 121.592 119.914 -0.130 0.000 2.240 349 V HA 0.179 4.299 4.120 -0.001 0.000 0.265 349 V C 0.750 176.822 176.094 -0.038 0.000 1.073 349 V CA -0.571 61.630 62.300 -0.165 0.000 0.857 349 V CB 0.357 32.067 31.823 -0.188 0.000 1.114 349 V HN -0.067 nan 8.190 nan 0.000 0.469 350 E N 3.203 123.379 120.200 -0.041 0.000 1.855 350 E HA 0.027 4.377 4.350 -0.001 0.000 0.259 350 E C 0.126 176.733 176.600 0.012 0.000 1.229 350 E CA 0.509 56.910 56.400 0.002 0.000 1.042 350 E CB 0.295 29.988 29.700 -0.011 0.000 1.079 350 E HN 0.729 nan 8.360 nan 0.000 0.434 351 D N 0.241 120.668 120.400 0.046 0.000 1.689 351 D HA 0.018 4.658 4.640 -0.001 0.000 0.643 351 D C 0.188 176.548 176.300 0.100 0.000 0.804 351 D CA -0.208 53.831 54.000 0.066 0.000 1.125 351 D CB 0.211 41.051 40.800 0.067 0.000 1.506 351 D HN 0.182 nan 8.370 nan 0.000 0.499 352 I N 4.137 124.782 120.570 0.124 0.000 2.634 352 I HA 0.222 4.391 4.170 -0.001 0.000 0.284 352 I C -1.846 174.340 176.117 0.114 0.000 1.124 352 I CA -1.334 60.053 61.300 0.144 0.000 1.417 352 I CB 0.365 38.478 38.000 0.188 0.000 1.396 352 I HN -0.005 nan 8.210 nan 0.000 0.571 353 P HA 0.277 nan 4.420 nan 0.000 0.286 353 P C -0.538 176.816 177.300 0.089 0.000 1.269 353 P CA -0.403 62.749 63.100 0.087 0.000 0.787 353 P CB 1.161 32.908 31.700 0.077 0.000 0.920 354 A N 3.585 126.455 122.820 0.082 0.000 2.409 354 A HA 0.126 4.446 4.320 -0.001 0.000 0.246 354 A C 1.569 179.191 177.584 0.063 0.000 1.099 354 A CA -0.181 51.903 52.037 0.078 0.000 0.789 354 A CB -0.279 18.762 19.000 0.067 0.000 1.053 354 A HN 0.595 nan 8.150 nan 0.000 0.503 355 I N -1.070 119.533 120.570 0.054 0.000 2.716 355 I HA 0.008 4.178 4.170 -0.001 0.000 0.259 355 I C 0.886 177.020 176.117 0.028 0.000 1.172 355 I CA 0.759 62.085 61.300 0.045 0.000 1.478 355 I CB -0.052 37.975 38.000 0.045 0.000 1.104 355 I HN 0.538 nan 8.210 nan 0.000 0.439 356 E N 0.637 120.849 120.200 0.020 0.000 2.264 356 E HA 0.416 4.766 4.350 -0.001 0.000 0.260 356 E C -0.094 176.512 176.600 0.010 0.000 0.961 356 E CA -0.656 55.750 56.400 0.010 0.000 0.834 356 E CB 1.405 31.106 29.700 0.001 0.000 1.230 356 E HN 0.083 nan 8.360 nan 0.000 0.412 357 R N 0.439 120.937 120.500 -0.003 0.000 3.073 357 R HA 0.050 4.390 4.340 -0.001 0.000 0.290 357 R C 0.386 176.686 176.300 -0.000 0.000 1.130 357 R CA 0.232 56.324 56.100 -0.014 0.000 1.186 357 R CB 0.172 30.449 30.300 -0.039 0.000 1.166 357 R HN 0.401 nan 8.270 nan 0.000 0.563 358 E N 1.141 121.336 120.200 -0.007 0.000 2.598 358 E HA 0.048 4.397 4.350 -0.001 0.000 0.233 358 E C -0.672 175.936 176.600 0.014 0.000 1.173 358 E CA -0.129 56.280 56.400 0.015 0.000 1.473 358 E CB 0.318 30.031 29.700 0.022 0.000 1.398 358 E HN 0.433 nan 8.360 nan 0.000 0.431 359 E N -0.828 119.376 120.200 0.007 0.000 3.259 359 E HA -0.279 4.070 4.350 -0.001 0.000 0.332 359 E C 0.626 177.226 176.600 0.000 0.000 1.477 359 E CA 1.724 58.130 56.400 0.009 0.000 1.742 359 E CB -0.670 29.048 29.700 0.029 0.000 1.842 359 E HN 0.264 nan 8.360 nan 0.000 0.499 360 L N -2.884 118.356 121.223 0.027 0.000 2.325 360 L HA 0.142 4.482 4.340 -0.001 0.000 0.266 360 L C -2.017 174.907 176.870 0.091 0.000 1.134 360 L CA -0.182 54.688 54.840 0.051 0.000 1.406 360 L CB -0.375 41.704 42.059 0.033 0.000 2.633 360 L HN 0.368 nan 8.230 nan 0.000 0.537 361 P HA 0.315 nan 4.420 nan 0.000 0.272 361 P C 0.020 177.429 177.300 0.182 0.000 1.223 361 P CA 0.180 63.339 63.100 0.098 0.000 0.784 361 P CB 1.284 33.004 31.700 0.033 0.000 0.923 376 A N 3.167 126.016 122.820 0.048 0.000 5.100 376 A HA -0.109 4.211 4.320 -0.001 0.000 0.533 376 A C 1.060 178.722 177.584 0.130 0.000 1.142 376 A CA 0.604 52.717 52.037 0.125 0.000 0.463 376 A CB -1.504 17.573 19.000 0.128 0.000 3.021 376 A HN 1.171 nan 8.150 nan 0.000 0.487 377 W N 0.811 122.118 121.300 0.011 0.000 2.338 377 W HA -0.180 4.481 4.660 0.001 0.000 0.304 377 W C 2.290 178.819 176.519 0.017 0.000 1.212 377 W CA 2.196 59.549 57.345 0.014 0.000 1.264 377 W CB -0.109 29.362 29.460 0.018 0.000 1.142 377 W HN 0.899 nan 8.180 nan 0.000 0.512 378 K N 1.583 122.125 120.400 0.236 0.000 2.228 378 K HA -0.268 4.051 4.320 -0.001 0.000 0.205 378 K C 1.838 178.473 176.600 0.059 0.000 1.045 378 K CA 1.640 58.007 56.287 0.134 0.000 0.931 378 K CB -0.412 32.143 32.500 0.091 0.000 0.727 378 K HN 0.032 nan 8.250 nan 0.000 0.458 379 R N 0.609 121.126 120.500 0.029 0.000 2.113 379 R HA -0.123 4.217 4.340 -0.001 0.000 0.244 379 R C 2.011 178.299 176.300 -0.020 0.000 1.142 379 R CA 2.164 58.257 56.100 -0.011 0.000 0.953 379 R CB -0.750 29.527 30.300 -0.037 0.000 0.860 379 R HN 0.256 nan 8.270 nan 0.000 0.438 380 A N -0.697 122.103 122.820 -0.033 0.000 1.984 380 A HA 0.355 4.675 4.320 -0.001 0.000 0.214 380 A C 1.645 179.243 177.584 0.024 0.000 1.173 380 A CA 0.722 52.743 52.037 -0.028 0.000 0.673 380 A CB -0.194 18.759 19.000 -0.080 0.000 0.830 380 A HN 0.386 nan 8.150 nan 0.000 0.453 381 A N -0.417 122.443 122.820 0.066 0.000 2.929 381 A HA 0.640 4.959 4.320 -0.001 0.000 0.279 381 A C 1.392 179.047 177.584 0.117 0.000 1.418 381 A CA 0.618 52.722 52.037 0.113 0.000 1.035 381 A CB -0.765 18.337 19.000 0.170 0.000 1.047 381 A HN 0.688 nan 8.150 nan 0.000 0.609 382 A N -0.254 122.601 122.820 0.059 0.000 1.956 382 A HA 0.424 4.743 4.320 -0.001 0.000 0.212 382 A C 2.220 179.833 177.584 0.047 0.000 1.188 382 A CA 1.127 53.167 52.037 0.006 0.000 0.675 382 A CB -0.546 18.426 19.000 -0.046 0.000 0.845 382 A HN 1.036 nan 8.150 nan 0.000 0.455 383 A N -0.021 122.832 122.820 0.055 0.000 2.070 383 A HA 0.057 4.376 4.320 -0.001 0.000 0.220 383 A C 2.077 179.728 177.584 0.111 0.000 1.159 383 A CA 1.516 53.590 52.037 0.062 0.000 0.656 383 A CB -0.897 18.128 19.000 0.043 0.000 0.800 383 A HN 0.378 nan 8.150 nan 0.000 0.453 384 V N -0.985 119.016 119.914 0.146 0.000 2.250 384 V HA -0.396 3.723 4.120 -0.001 0.000 0.253 384 V C 2.289 178.465 176.094 0.137 0.000 1.065 384 V CA 2.476 64.858 62.300 0.138 0.000 1.039 384 V CB -1.283 30.633 31.823 0.155 0.000 0.647 384 V HN 0.643 nan 8.190 nan 0.000 0.446 385 Y N 1.534 121.829 120.300 -0.008 0.000 2.006 385 Y HA -0.310 4.239 4.550 -0.002 0.000 0.266 385 Y C 2.781 178.669 175.900 -0.020 0.000 1.133 385 Y CA 2.509 60.597 58.100 -0.021 0.000 1.098 385 Y CB -1.054 37.375 38.460 -0.051 0.000 0.969 385 Y HN 0.345 nan 8.280 nan 0.000 0.482 386 R N 1.021 121.616 120.500 0.159 0.000 2.127 386 R HA -0.161 4.178 4.340 -0.001 0.000 0.238 386 R C 1.866 178.197 176.300 0.052 0.000 1.134 386 R CA 1.986 58.128 56.100 0.071 0.000 0.975 386 R CB -0.892 29.428 30.300 0.034 0.000 0.865 386 R HN 0.310 nan 8.270 nan 0.000 0.447 387 K N 0.264 120.698 120.400 0.057 0.000 2.283 387 K HA -0.140 4.179 4.320 -0.001 0.000 0.202 387 K C 1.250 177.871 176.600 0.035 0.000 1.048 387 K CA 1.579 57.892 56.287 0.045 0.000 0.948 387 K CB -0.125 32.405 32.500 0.049 0.000 0.742 387 K HN 0.306 nan 8.250 nan 0.000 0.458 388 D N 0.708 121.123 120.400 0.024 0.000 2.305 388 D HA -0.101 4.539 4.640 -0.001 0.000 0.206 388 D C 1.646 177.953 176.300 0.012 0.000 0.974 388 D CA 0.637 54.641 54.000 0.006 0.000 0.871 388 D CB 0.300 41.078 40.800 -0.036 0.000 0.947 388 D HN 0.170 nan 8.370 nan 0.000 0.516 389 K N 0.378 120.790 120.400 0.021 0.000 2.148 389 K HA -0.071 4.248 4.320 -0.001 0.000 0.204 389 K C 1.904 178.521 176.600 0.029 0.000 1.050 389 K CA 1.042 57.344 56.287 0.025 0.000 0.942 389 K CB 0.057 32.575 32.500 0.031 0.000 0.724 389 K HN 0.004 nan 8.250 nan 0.000 0.446 390 A N 1.601 124.440 122.820 0.031 0.000 1.929 390 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 390 A C 2.135 179.742 177.584 0.039 0.000 1.176 390 A CA 1.157 53.215 52.037 0.035 0.000 0.628 390 A CB -0.479 18.543 19.000 0.037 0.000 0.816 390 A HN 0.354 nan 8.150 nan 0.000 0.444 391 R N 0.048 120.570 120.500 0.037 0.000 2.061 391 R HA -0.151 4.189 4.340 -0.001 0.000 0.230 391 R C 2.265 178.590 176.300 0.041 0.000 1.140 391 R CA 1.951 58.076 56.100 0.041 0.000 0.940 391 R CB -0.378 29.945 30.300 0.037 0.000 0.839 391 R HN 0.462 nan 8.270 nan 0.000 0.429 392 K N -0.086 120.333 120.400 0.032 0.000 2.103 392 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 392 K C 2.128 178.751 176.600 0.038 0.000 1.048 392 K CA 1.796 58.102 56.287 0.032 0.000 0.930 392 K CB -0.179 32.334 32.500 0.022 0.000 0.716 392 K HN 0.152 nan 8.250 nan 0.000 0.444 393 S N 0.154 115.876 115.700 0.037 0.000 2.395 393 S HA -0.067 4.403 4.470 -0.001 0.000 0.225 393 S C 2.003 176.631 174.600 0.046 0.000 1.027 393 S CA 0.737 58.959 58.200 0.038 0.000 0.965 393 S CB -0.155 63.065 63.200 0.034 0.000 0.812 393 S HN 0.366 nan 8.310 nan 0.000 0.482 394 R N 0.140 120.670 120.500 0.051 0.000 2.148 394 R HA 0.060 4.400 4.340 -0.001 0.000 0.223 394 R C 2.422 178.764 176.300 0.070 0.000 1.088 394 R CA 0.988 57.124 56.100 0.061 0.000 0.985 394 R CB -0.128 30.209 30.300 0.062 0.000 0.880 394 R HN 0.215 nan 8.270 nan 0.000 0.451 395 R N 0.662 121.200 120.500 0.065 0.000 2.115 395 R HA -0.021 4.319 4.340 -0.001 0.000 0.230 395 R C 1.900 178.247 176.300 0.077 0.000 1.111 395 R CA 1.129 57.270 56.100 0.069 0.000 0.976 395 R CB -0.345 29.990 30.300 0.059 0.000 0.870 395 R HN 0.174 nan 8.270 nan 0.000 0.445 396 I N 0.660 121.273 120.570 0.072 0.000 2.179 396 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 396 I C 2.093 178.284 176.117 0.123 0.000 1.088 396 I CA 1.945 63.295 61.300 0.083 0.000 1.357 396 I CB -1.327 36.708 38.000 0.057 0.000 1.051 396 I HN 0.303 nan 8.210 nan 0.000 0.409 397 S N 1.113 116.880 115.700 0.113 0.000 2.383 397 S HA -0.164 4.305 4.470 -0.001 0.000 0.227 397 S C 2.121 176.844 174.600 0.206 0.000 1.026 397 S CA 0.824 59.123 58.200 0.165 0.000 0.981 397 S CB -1.145 62.124 63.200 0.115 0.000 0.818 397 S HN 0.481 nan 8.310 nan 0.000 0.472 398 L N 1.489 122.796 121.223 0.139 0.000 2.013 398 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 398 L C 2.535 179.465 176.870 0.099 0.000 1.073 398 L CA 2.006 56.913 54.840 0.112 0.000 0.753 398 L CB -0.429 41.683 42.059 0.088 0.000 0.890 398 L HN 0.326 nan 8.230 nan 0.000 0.432 399 E N -1.017 119.246 120.200 0.105 0.000 2.152 399 E HA -0.226 4.123 4.350 -0.001 0.000 0.192 399 E C 1.859 178.506 176.600 0.079 0.000 0.983 399 E CA 1.265 57.710 56.400 0.076 0.000 0.818 399 E CB -0.131 29.616 29.700 0.078 0.000 0.758 399 E HN 0.604 nan 8.360 nan 0.000 0.467 400 F N 0.567 120.524 119.950 0.011 0.000 2.163 400 F HA -0.135 4.392 4.527 -0.001 0.000 0.297 400 F C 2.091 177.872 175.800 -0.033 0.000 1.094 400 F CA 0.941 58.942 58.000 0.002 0.000 1.290 400 F CB 0.079 39.100 39.000 0.036 0.000 1.017 400 F HN -0.049 nan 8.300 nan 0.000 0.483 401 M N -0.003 119.659 119.600 0.103 0.000 2.117 401 M HA -0.123 4.357 4.480 -0.001 0.000 0.262 401 M C 1.893 178.058 176.300 -0.225 0.000 1.065 401 M CA 1.357 56.672 55.300 0.024 0.000 1.114 401 M CB -0.890 31.877 32.600 0.277 0.000 1.361 401 M HN 0.199 nan 8.290 nan 0.000 0.408 402 L N -0.367 120.781 121.223 -0.125 0.000 2.141 402 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 402 L C 2.104 178.841 176.870 -0.221 0.000 1.094 402 L CA 1.645 56.404 54.840 -0.136 0.000 0.763 402 L CB -0.774 41.245 42.059 -0.066 0.000 0.908 402 L HN 0.364 nan 8.230 nan 0.000 0.437 403 E N -1.333 118.696 120.200 -0.285 0.000 2.047 403 E HA -0.220 4.129 4.350 -0.001 0.000 0.191 403 E C 2.147 178.479 176.600 -0.446 0.000 0.987 403 E CA 0.988 57.194 56.400 -0.322 0.000 0.799 403 E CB -0.006 29.497 29.700 -0.329 0.000 0.752 403 E HN 0.462 nan 8.360 nan 0.000 0.449 404 Q N 0.065 119.446 119.800 -0.698 0.000 2.050 404 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 404 Q C 2.253 177.924 176.000 -0.549 0.000 0.980 404 Q CA 1.328 56.695 55.803 -0.727 0.000 0.840 404 Q CB -0.345 27.625 28.738 -1.279 0.000 0.898 404 Q HN 0.240 nan 8.270 nan 0.000 0.424 405 A N 2.097 124.526 122.820 -0.652 0.000 1.851 405 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 405 A C 1.930 179.477 177.584 -0.061 0.000 1.195 405 A CA 1.751 53.680 52.037 -0.180 0.000 0.622 405 A CB -0.718 18.263 19.000 -0.032 0.000 0.831 405 A HN 0.346 nan 8.150 nan 0.000 0.444 406 N N -0.342 118.287 118.700 -0.118 0.000 2.149 406 N HA -0.178 4.561 4.740 -0.001 0.000 0.188 406 N C 1.774 177.211 175.510 -0.121 0.000 1.019 406 N CA 1.642 54.641 53.050 -0.084 0.000 0.857 406 N CB -0.309 38.123 38.487 -0.092 0.000 0.997 406 N HN 0.696 nan 8.380 nan 0.000 0.426 407 K N 0.094 120.350 120.400 -0.241 0.000 2.097 407 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 407 K C 0.881 177.197 176.600 -0.473 0.000 1.049 407 K CA 1.190 57.234 56.287 -0.404 0.000 0.933 407 K CB -0.080 32.047 32.500 -0.621 0.000 0.717 407 K HN 0.024 nan 8.250 nan 0.000 0.442 408 F N 0.766 120.682 119.950 -0.056 0.000 2.693 408 F HA 0.335 4.862 4.527 -0.001 0.000 0.303 408 F C 0.793 176.670 175.800 0.129 0.000 1.097 408 F CA -0.376 57.617 58.000 -0.011 0.000 1.330 408 F CB 0.054 38.992 39.000 -0.103 0.000 1.067 408 F HN -0.011 nan 8.300 nan 0.000 0.565 409 A N 0.277 123.214 122.820 0.194 0.000 2.386 409 A HA 0.279 4.599 4.320 -0.001 0.000 0.246 409 A C 1.265 178.955 177.584 0.176 0.000 1.089 409 A CA 0.285 52.417 52.037 0.160 0.000 0.790 409 A CB 0.075 19.122 19.000 0.079 0.000 1.042 409 A HN 0.521 nan 8.150 nan 0.000 0.497 410 N N -1.429 117.341 118.700 0.116 0.000 2.886 410 N HA -0.173 4.567 4.740 -0.001 0.000 0.204 410 N C -0.195 175.347 175.510 0.053 0.000 0.998 410 N CA 1.878 54.961 53.050 0.055 0.000 1.114 410 N CB -1.637 36.850 38.487 -0.001 0.000 0.964 410 N HN 0.886 nan 8.380 nan 0.000 0.581 411 H N 2.238 121.354 119.070 0.077 0.000 2.848 411 H HA 0.141 4.697 4.556 -0.001 0.000 0.341 411 H C 1.458 176.814 175.328 0.047 0.000 1.060 411 H CA 0.316 56.417 56.048 0.089 0.000 1.444 411 H CB 0.807 30.664 29.762 0.158 0.000 1.446 411 H HN -0.025 nan 8.280 nan 0.000 0.583 412 K N 1.781 122.254 120.400 0.123 0.000 2.281 412 K HA 0.020 4.339 4.320 -0.001 0.000 0.203 412 K C 0.158 176.764 176.600 0.011 0.000 1.046 412 K CA 1.062 57.386 56.287 0.061 0.000 0.938 412 K CB 0.135 32.672 32.500 0.063 0.000 0.737 412 K HN 0.692 nan 8.250 nan 0.000 0.458 413 A N 0.140 122.961 122.820 0.002 0.000 2.549 413 A HA 0.557 4.876 4.320 -0.001 0.000 0.291 413 A C -1.391 175.953 177.584 -0.400 0.000 1.034 413 A CA -0.927 50.937 52.037 -0.289 0.000 0.655 413 A CB 0.711 19.392 19.000 -0.533 0.000 1.299 413 A HN 0.133 nan 8.150 nan 0.000 0.427 414 I N -3.088 117.062 120.570 -0.700 0.000 2.913 414 I HA 0.837 5.006 4.170 -0.001 0.000 0.302 414 I C -1.180 174.525 176.117 -0.687 0.000 1.246 414 I CA -0.912 60.078 61.300 -0.515 0.000 1.010 414 I CB 2.052 39.771 38.000 -0.468 0.000 1.259 414 I HN 0.741 nan 8.210 nan 0.000 0.434 415 W N 2.274 123.355 121.300 -0.365 0.000 2.929 415 W HA 0.622 5.282 4.660 -0.001 0.000 0.345 415 W C -1.664 174.470 176.519 -0.642 0.000 1.151 415 W CA -0.614 56.573 57.345 -0.263 0.000 1.111 415 W CB 2.113 31.561 29.460 -0.020 0.000 1.449 415 W HN 0.306 nan 8.180 nan 0.000 0.572 416 F N 1.666 121.747 119.950 0.217 0.000 2.507 416 F HA 0.344 4.870 4.527 -0.001 0.000 0.328 416 F C -1.930 173.788 175.800 -0.138 0.000 1.136 416 F CA -2.473 55.470 58.000 -0.096 0.000 0.930 416 F CB 1.310 40.086 39.000 -0.374 0.000 1.166 416 F HN -0.270 nan 8.300 nan 0.000 0.436 417 P HA 0.153 nan 4.420 nan 0.000 0.274 417 P C -1.428 175.790 177.300 -0.137 0.000 1.231 417 P CA -0.035 63.004 63.100 -0.102 0.000 0.790 417 P CB 1.014 32.427 31.700 -0.477 0.000 0.951 418 Y N 0.552 120.937 120.300 0.141 0.000 2.536 418 Y HA 0.425 4.974 4.550 -0.001 0.000 0.347 418 Y C 0.972 176.808 175.900 -0.106 0.000 1.000 418 Y CA -0.166 57.947 58.100 0.021 0.000 1.051 418 Y CB 2.293 40.725 38.460 -0.046 0.000 1.259 418 Y HN 0.510 nan 8.280 nan 0.000 0.468 419 N N 0.401 119.079 118.700 -0.036 0.000 3.344 419 N HA 0.737 5.476 4.740 -0.001 0.000 0.296 419 N C -1.740 173.660 175.510 -0.183 0.000 1.571 419 N CA -1.044 51.825 53.050 -0.300 0.000 0.844 419 N CB 1.858 40.199 38.487 -0.244 0.000 1.718 419 N HN 0.490 nan 8.380 nan 0.000 0.589 420 M N 0.064 119.519 119.600 -0.242 0.000 2.727 420 M HA 0.267 4.746 4.480 -0.001 0.000 0.300 420 M C -0.584 175.647 176.300 -0.115 0.000 1.246 420 M CA -0.713 54.493 55.300 -0.156 0.000 0.835 420 M CB 1.986 34.355 32.600 -0.385 0.000 1.755 420 M HN 0.749 nan 8.290 nan 0.000 0.473 421 D N -0.560 119.792 120.400 -0.079 0.000 2.305 421 D HA -0.060 4.580 4.640 -0.001 0.000 0.206 421 D C 0.891 177.257 176.300 0.110 0.000 0.974 421 D CA 0.775 54.706 54.000 -0.115 0.000 0.871 421 D CB 0.128 40.770 40.800 -0.264 0.000 0.947 421 D HN 0.902 nan 8.370 nan 0.000 0.516 422 W N -1.017 120.269 121.300 -0.024 0.000 0.390 422 W HA -0.082 4.577 4.660 -0.001 0.000 0.215 422 W C 0.229 176.849 176.519 0.168 0.000 0.927 422 W CA -0.212 57.173 57.345 0.066 0.000 0.317 422 W CB -1.350 28.092 29.460 -0.031 0.000 1.834 422 W HN 0.015 nan 8.180 nan 0.000 0.455 423 R N 1.772 122.077 120.500 -0.324 0.000 2.290 423 R HA 0.372 4.711 4.340 -0.001 0.000 0.197 423 R C 1.945 178.229 176.300 -0.028 0.000 0.913 423 R CA 1.582 57.501 56.100 -0.300 0.000 1.040 423 R CB 0.076 30.050 30.300 -0.543 0.000 0.992 423 R HN 0.484 nan 8.270 nan 0.000 0.500 424 G N 0.428 109.109 108.800 -0.198 0.000 2.184 424 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.206 424 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.206 424 G C -0.123 174.457 174.900 -0.532 0.000 0.995 424 G CA -0.555 44.047 45.100 -0.829 0.000 0.651 424 G HN 0.119 nan 8.290 nan 0.000 0.511 425 R N 0.379 120.727 120.500 -0.254 0.000 2.590 425 R HA 0.370 4.709 4.340 -0.001 0.000 0.274 425 R C 0.349 176.609 176.300 -0.067 0.000 1.061 425 R CA -0.089 55.930 56.100 -0.136 0.000 1.081 425 R CB 1.187 31.450 30.300 -0.062 0.000 0.984 425 R HN 0.112 nan 8.270 nan 0.000 0.448 426 V N 4.793 124.572 119.914 -0.226 0.000 2.530 426 V HA 0.153 4.272 4.120 -0.001 0.000 0.282 426 V C -0.619 175.300 176.094 -0.290 0.000 1.048 426 V CA 0.072 62.250 62.300 -0.203 0.000 0.997 426 V CB 0.302 31.941 31.823 -0.307 0.000 0.987 426 V HN 0.512 nan 8.190 nan 0.000 0.477 427 Y N 2.070 122.349 120.300 -0.035 0.000 2.442 427 Y HA 0.680 5.230 4.550 -0.001 0.000 0.344 427 Y C 0.419 176.248 175.900 -0.117 0.000 0.976 427 Y CA -0.818 57.248 58.100 -0.057 0.000 1.040 427 Y CB 1.749 40.178 38.460 -0.053 0.000 1.228 427 Y HN 0.720 nan 8.280 nan 0.000 0.451 428 A N 1.855 124.555 122.820 -0.199 0.000 2.407 428 A HA 0.385 4.705 4.320 -0.001 0.000 0.248 428 A C 0.772 178.195 177.584 -0.268 0.000 1.082 428 A CA -0.253 51.365 52.037 -0.699 0.000 0.785 428 A CB 0.284 18.841 19.000 -0.739 0.000 1.020 428 A HN 0.774 nan 8.150 nan 0.000 0.489 429 V N 2.080 121.847 119.914 -0.244 0.000 2.407 429 V HA -0.081 4.038 4.120 -0.001 0.000 0.245 429 V C 1.598 177.741 176.094 0.082 0.000 1.041 429 V CA 1.984 64.231 62.300 -0.088 0.000 1.040 429 V CB -0.718 31.009 31.823 -0.159 0.000 0.671 429 V HN 0.985 nan 8.190 nan 0.000 0.455 430 S N -0.203 115.614 115.700 0.195 0.000 2.580 430 S HA 0.257 4.727 4.470 -0.001 0.000 0.274 430 S C 0.909 175.681 174.600 0.287 0.000 1.329 430 S CA -0.399 58.017 58.200 0.361 0.000 1.036 430 S CB 1.088 64.562 63.200 0.457 0.000 0.919 430 S HN 0.293 nan 8.310 nan 0.000 0.515 431 M N 0.806 120.612 119.600 0.343 0.000 2.143 431 M HA -0.041 4.438 4.480 -0.001 0.000 0.258 431 M C 0.376 176.915 176.300 0.398 0.000 1.071 431 M CA 1.531 57.006 55.300 0.292 0.000 1.088 431 M CB -0.388 32.331 32.600 0.198 0.000 1.360 431 M HN 0.707 nan 8.290 nan 0.000 0.404 432 F N 3.149 123.302 119.950 0.338 0.000 2.405 432 F HA 0.370 4.897 4.527 -0.001 0.000 0.355 432 F C 0.032 175.891 175.800 0.098 0.000 1.121 432 F CA -1.247 56.898 58.000 0.243 0.000 1.112 432 F CB 0.314 39.474 39.000 0.266 0.000 1.126 432 F HN 0.190 nan 8.300 nan 0.000 0.481 433 N N 4.587 122.881 118.700 -0.677 0.000 2.961 433 N HA 0.232 4.972 4.740 -0.001 0.000 0.245 433 N C -3.030 171.757 175.510 -1.204 0.000 1.404 433 N CA -1.769 50.513 53.050 -1.281 0.000 0.880 433 N CB 1.785 39.740 38.487 -0.886 0.000 1.461 433 N HN 0.056 nan 8.380 nan 0.000 0.510 434 P HA 0.048 nan 4.420 nan 0.000 0.259 434 P C 0.112 177.057 177.300 -0.592 0.000 1.307 434 P CA 1.055 63.488 63.100 -1.111 0.000 0.768 434 P CB -0.044 30.596 31.700 -1.767 0.000 1.199 435 Q N -1.999 117.500 119.800 -0.502 0.000 2.189 435 Q HA 0.191 4.530 4.340 -0.001 0.000 0.223 435 Q C 1.276 177.165 176.000 -0.184 0.000 0.828 435 Q CA -0.262 55.364 55.803 -0.294 0.000 0.967 435 Q CB 0.592 29.158 28.738 -0.286 0.000 1.139 435 Q HN 0.196 nan 8.270 nan 0.000 0.497 436 G N 1.864 110.538 108.800 -0.210 0.000 2.631 436 G HA2 0.020 3.980 3.960 -0.001 0.000 0.271 436 G HA3 0.020 3.980 3.960 -0.001 0.000 0.271 436 G C 0.259 175.138 174.900 -0.033 0.000 1.302 436 G CA -0.364 44.680 45.100 -0.092 0.000 1.002 436 G HN 0.318 nan 8.290 nan 0.000 0.519 437 N N -0.835 117.879 118.700 0.023 0.000 2.240 437 N HA -0.066 4.673 4.740 -0.001 0.000 0.245 437 N C 1.041 176.596 175.510 0.076 0.000 1.311 437 N CA 0.608 53.692 53.050 0.057 0.000 0.873 437 N CB -0.123 38.413 38.487 0.082 0.000 1.049 437 N HN 0.511 nan 8.380 nan 0.000 0.466 438 D N -0.950 119.524 120.400 0.123 0.000 2.088 438 D HA -0.248 4.392 4.640 -0.001 0.000 0.191 438 D C 1.911 178.343 176.300 0.220 0.000 0.992 438 D CA 1.967 56.080 54.000 0.188 0.000 0.831 438 D CB -0.199 40.747 40.800 0.243 0.000 0.973 438 D HN 0.563 nan 8.370 nan 0.000 0.447 439 M N -0.151 119.563 119.600 0.191 0.000 2.106 439 M HA -0.207 4.273 4.480 -0.001 0.000 0.259 439 M C 1.809 178.090 176.300 -0.033 0.000 1.068 439 M CA 1.953 57.199 55.300 -0.091 0.000 1.100 439 M CB -0.443 31.978 32.600 -0.297 0.000 1.351 439 M HN 0.124 nan 8.290 nan 0.000 0.404 440 T N 0.970 115.544 114.554 0.033 0.000 2.555 440 T HA -0.222 4.128 4.350 -0.001 0.000 0.264 440 T C 1.641 176.330 174.700 -0.018 0.000 1.083 440 T CA 2.092 64.210 62.100 0.029 0.000 1.179 440 T CB -0.397 68.456 68.868 -0.025 0.000 0.863 440 T HN 0.423 nan 8.240 nan 0.000 0.412 441 K N 0.661 121.052 120.400 -0.014 0.000 2.160 441 K HA -0.072 4.247 4.320 -0.001 0.000 0.206 441 K C 2.497 179.171 176.600 0.123 0.000 1.047 441 K CA 1.231 57.530 56.287 0.021 0.000 0.930 441 K CB -0.541 31.993 32.500 0.058 0.000 0.720 441 K HN 0.433 nan 8.250 nan 0.000 0.450 442 G N 0.495 109.389 108.800 0.157 0.000 2.422 442 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.218 442 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.218 442 G C 1.161 176.169 174.900 0.180 0.000 1.140 442 G CA 0.315 45.546 45.100 0.220 0.000 0.775 442 G HN 0.068 nan 8.290 nan 0.000 0.545 443 L N -0.025 121.274 121.223 0.127 0.000 2.551 443 L HA 0.377 4.717 4.340 -0.001 0.000 0.228 443 L C 0.808 177.801 176.870 0.204 0.000 1.153 443 L CA 0.488 55.423 54.840 0.158 0.000 0.851 443 L CB -0.589 41.587 42.059 0.196 0.000 0.959 443 L HN 0.099 nan 8.230 nan 0.000 0.451 444 L N -1.614 119.720 121.223 0.185 0.000 2.365 444 L HA 0.539 4.879 4.340 -0.001 0.000 0.273 444 L C -0.002 177.081 176.870 0.355 0.000 1.000 444 L CA -0.244 54.755 54.840 0.264 0.000 0.819 444 L CB 2.137 44.274 42.059 0.130 0.000 1.284 444 L HN -0.192 nan 8.230 nan 0.000 0.418 445 T N 2.543 117.311 114.554 0.356 0.000 2.900 445 T HA 0.554 4.903 4.350 -0.001 0.000 0.303 445 T C -0.676 174.017 174.700 -0.010 0.000 1.142 445 T CA -0.539 61.661 62.100 0.167 0.000 1.007 445 T CB 1.102 70.027 68.868 0.095 0.000 1.156 445 T HN 0.344 nan 8.240 nan 0.000 0.490 446 L N 3.432 124.449 121.223 -0.343 0.000 2.485 446 L HA 0.366 4.706 4.340 -0.001 0.000 0.275 446 L C 1.862 178.549 176.870 -0.305 0.000 1.207 446 L CA -0.200 54.294 54.840 -0.576 0.000 0.855 446 L CB 0.457 42.145 42.059 -0.620 0.000 1.114 446 L HN 0.940 nan 8.230 nan 0.000 0.485 447 A N 3.353 125.987 122.820 -0.310 0.000 1.930 447 A HA -0.015 4.304 4.320 -0.001 0.000 0.215 447 A C 0.907 178.390 177.584 -0.169 0.000 1.176 447 A CA 0.863 52.775 52.037 -0.208 0.000 0.632 447 A CB -0.101 18.748 19.000 -0.252 0.000 0.819 447 A HN 0.710 nan 8.150 nan 0.000 0.445 448 K N 0.957 121.247 120.400 -0.183 0.000 2.257 448 K HA 0.436 4.756 4.320 -0.001 0.000 0.270 448 K C 0.267 176.776 176.600 -0.151 0.000 1.098 448 K CA -0.062 56.146 56.287 -0.131 0.000 0.943 448 K CB 1.067 33.514 32.500 -0.089 0.000 1.316 448 K HN 0.315 nan 8.250 nan 0.000 0.447 449 G N 2.220 110.933 108.800 -0.144 0.000 2.568 449 G HA2 0.508 4.467 3.960 -0.001 0.000 0.293 449 G HA3 0.508 4.467 3.960 -0.001 0.000 0.293 449 G C -0.608 174.215 174.900 -0.128 0.000 1.347 449 G CA -0.446 44.563 45.100 -0.152 0.000 1.039 449 G HN 0.393 nan 8.290 nan 0.000 0.523 450 K N -0.831 119.493 120.400 -0.127 0.000 2.578 450 K HA 0.313 4.632 4.320 -0.001 0.000 0.287 450 K C -2.953 173.587 176.600 -0.099 0.000 1.010 450 K CA -1.574 54.654 56.287 -0.099 0.000 0.889 450 K CB 2.488 34.947 32.500 -0.068 0.000 1.514 450 K HN 0.134 nan 8.250 nan 0.000 0.424 451 P HA 0.019 nan 4.420 nan 0.000 0.261 451 P C 0.463 177.754 177.300 -0.015 0.000 1.183 451 P CA 0.289 63.358 63.100 -0.052 0.000 0.761 451 P CB 0.368 32.052 31.700 -0.028 0.000 0.785 452 I N 3.287 123.866 120.570 0.016 0.000 2.091 452 I HA -0.174 3.996 4.170 -0.001 0.000 0.239 452 I C 1.036 177.205 176.117 0.087 0.000 1.061 452 I CA 2.308 63.651 61.300 0.072 0.000 1.317 452 I CB -0.738 37.349 38.000 0.145 0.000 1.031 452 I HN 0.679 nan 8.210 nan 0.000 0.401 453 G N -0.228 108.615 108.800 0.073 0.000 2.712 453 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.683 453 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.683 453 G C 0.334 175.307 174.900 0.123 0.000 1.320 453 G CA 0.132 45.277 45.100 0.075 0.000 0.847 453 G HN 0.540 nan 8.290 nan 0.000 0.553 454 K N 0.077 120.538 120.400 0.101 0.000 1.985 454 K HA -0.086 4.234 4.320 -0.001 0.000 0.210 454 K C 2.339 179.031 176.600 0.154 0.000 1.047 454 K CA 2.360 58.723 56.287 0.126 0.000 0.932 454 K CB -0.231 32.302 32.500 0.055 0.000 0.716 454 K HN 0.535 nan 8.250 nan 0.000 0.439 455 E N -0.042 120.222 120.200 0.105 0.000 2.051 455 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 455 E C 1.995 178.761 176.600 0.275 0.000 0.991 455 E CA 1.382 57.855 56.400 0.123 0.000 0.799 455 E CB -0.599 29.180 29.700 0.132 0.000 0.748 455 E HN 0.562 nan 8.360 nan 0.000 0.449 456 G N 0.117 109.070 108.800 0.255 0.000 2.442 456 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.219 456 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.219 456 G C 1.454 176.548 174.900 0.324 0.000 1.141 456 G CA 1.052 46.314 45.100 0.270 0.000 0.763 456 G HN 0.249 nan 8.290 nan 0.000 0.554 457 Y N 0.416 120.803 120.300 0.145 0.000 2.133 457 Y HA -0.132 4.418 4.550 -0.001 0.000 0.287 457 Y C 2.441 178.431 175.900 0.150 0.000 1.134 457 Y CA 0.949 59.128 58.100 0.132 0.000 1.133 457 Y CB -1.060 37.447 38.460 0.080 0.000 0.987 457 Y HN 0.292 nan 8.280 nan 0.000 0.502 458 Y N -0.397 119.848 120.300 -0.092 0.000 2.014 458 Y HA -0.276 4.274 4.550 -0.001 0.000 0.272 458 Y C 0.384 176.120 175.900 -0.274 0.000 1.164 458 Y CA 1.686 59.583 58.100 -0.339 0.000 1.114 458 Y CB -1.041 37.142 38.460 -0.462 0.000 0.961 458 Y HN 0.078 nan 8.280 nan 0.000 0.489 459 W N 1.894 123.218 121.300 0.040 0.000 2.666 459 W HA 0.325 4.985 4.660 -0.001 0.000 0.365 459 W C 0.355 176.857 176.519 -0.028 0.000 1.224 459 W CA 0.172 57.464 57.345 -0.088 0.000 1.515 459 W CB 0.461 29.928 29.460 0.012 0.000 1.562 459 W HN 0.384 nan 8.180 nan 0.000 0.455 460 L N 1.085 122.427 121.223 0.198 0.000 1.270 460 L HA -0.143 4.196 4.340 -0.001 0.000 0.127 460 L C 1.530 178.595 176.870 0.325 0.000 1.395 460 L CA 0.599 55.632 54.840 0.322 0.000 1.244 460 L CB -0.787 41.499 42.059 0.378 0.000 2.440 460 L HN 0.099 nan 8.230 nan 0.000 0.465 461 K N 0.593 121.073 120.400 0.133 0.000 2.026 461 K HA 0.040 4.360 4.320 -0.001 0.000 0.208 461 K C 1.872 178.421 176.600 -0.084 0.000 1.048 461 K CA 1.827 58.153 56.287 0.065 0.000 0.929 461 K CB -0.099 32.306 32.500 -0.158 0.000 0.713 461 K HN 0.338 nan 8.250 nan 0.000 0.439 462 I N 1.177 121.649 120.570 -0.164 0.000 2.163 462 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 462 I C 2.507 178.650 176.117 0.044 0.000 1.085 462 I CA 1.610 62.872 61.300 -0.064 0.000 1.347 462 I CB -1.438 36.527 38.000 -0.058 0.000 1.044 462 I HN 0.360 nan 8.210 nan 0.000 0.408 463 H N 0.941 119.979 119.070 -0.054 0.000 2.290 463 H HA -0.162 4.393 4.556 -0.001 0.000 0.298 463 H C 2.201 177.377 175.328 -0.254 0.000 1.087 463 H CA 1.929 57.918 56.048 -0.099 0.000 1.291 463 H CB -0.041 29.687 29.762 -0.057 0.000 1.369 463 H HN 0.318 nan 8.280 nan 0.000 0.492 464 G N 0.107 108.441 108.800 -0.776 0.000 2.440 464 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.218 464 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.218 464 G C 1.916 176.541 174.900 -0.458 0.000 1.154 464 G CA 1.024 45.166 45.100 -1.597 0.000 0.767 464 G HN 0.577 nan 8.290 nan 0.000 0.552 465 A N 0.941 123.646 122.820 -0.191 0.000 1.972 465 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 465 A C 2.159 179.687 177.584 -0.094 0.000 1.169 465 A CA 1.713 53.759 52.037 0.015 0.000 0.635 465 A CB -0.476 18.573 19.000 0.082 0.000 0.810 465 A HN 0.538 nan 8.150 nan 0.000 0.446 466 N N -0.736 117.917 118.700 -0.078 0.000 2.135 466 N HA -0.120 4.620 4.740 -0.001 0.000 0.186 466 N C 1.578 177.033 175.510 -0.093 0.000 1.027 466 N CA 1.308 54.337 53.050 -0.035 0.000 0.849 466 N CB -0.313 38.209 38.487 0.058 0.000 1.002 466 N HN 0.462 nan 8.380 nan 0.000 0.425 467 C N 0.809 120.011 119.300 -0.163 0.000 2.410 467 C HA -0.010 4.449 4.460 -0.001 0.000 0.281 467 C C 2.792 177.750 174.990 -0.054 0.000 1.318 467 C CA 0.531 59.505 59.018 -0.074 0.000 1.776 467 C CB -1.193 26.512 27.740 -0.058 0.000 1.942 467 C HN 0.479 nan 8.230 nan 0.000 0.508 468 A N -0.967 121.782 122.820 -0.118 0.000 2.021 468 A HA 0.425 4.744 4.320 -0.001 0.000 0.216 468 A C 1.977 179.325 177.584 -0.393 0.000 1.163 468 A CA 1.734 53.508 52.037 -0.438 0.000 0.676 468 A CB -0.433 18.310 19.000 -0.428 0.000 0.818 468 A HN 1.008 nan 8.150 nan 0.000 0.453 469 G N -2.107 106.524 108.800 -0.282 0.000 2.428 469 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.199 469 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.199 469 G C 0.285 175.042 174.900 -0.239 0.000 1.005 469 G CA -0.041 44.921 45.100 -0.231 0.000 0.671 469 G HN 0.708 nan 8.290 nan 0.000 0.485 470 V N 3.014 122.700 119.914 -0.380 0.000 2.180 470 V HA 0.374 4.494 4.120 -0.001 0.000 0.238 470 V C 0.888 176.903 176.094 -0.131 0.000 1.337 470 V CA 1.593 63.689 62.300 -0.341 0.000 1.338 470 V CB -0.146 31.301 31.823 -0.627 0.000 1.431 470 V HN 0.694 nan 8.190 nan 0.000 0.498 471 D N 0.446 120.809 120.400 -0.062 0.000 2.516 471 D HA 0.118 4.758 4.640 -0.001 0.000 0.241 471 D C 0.801 177.105 176.300 0.006 0.000 1.246 471 D CA -0.365 53.664 54.000 0.048 0.000 0.808 471 D CB 0.259 41.117 40.800 0.096 0.000 1.147 471 D HN 0.239 nan 8.370 nan 0.000 0.527 472 K N 0.699 121.058 120.400 -0.069 0.000 2.832 472 K HA 0.456 4.776 4.320 -0.001 0.000 0.211 472 K C -1.246 175.239 176.600 -0.191 0.000 1.112 472 K CA -0.379 55.822 56.287 -0.144 0.000 1.108 472 K CB 1.170 33.596 32.500 -0.123 0.000 0.899 472 K HN 0.127 nan 8.250 nan 0.000 0.464 473 V N 0.477 120.303 119.914 -0.147 0.000 3.078 473 V HA 0.580 4.699 4.120 -0.001 0.000 0.311 473 V C -2.555 173.504 176.094 -0.058 0.000 1.138 473 V CA -2.755 59.469 62.300 -0.125 0.000 1.007 473 V CB 2.223 34.018 31.823 -0.045 0.000 1.045 473 V HN 0.115 nan 8.190 nan 0.000 0.432 474 P HA 0.043 nan 4.420 nan 0.000 0.269 474 P C 0.522 177.978 177.300 0.260 0.000 1.211 474 P CA 0.243 63.465 63.100 0.204 0.000 0.781 474 P CB 0.393 32.208 31.700 0.191 0.000 0.877 475 F N 1.547 121.688 119.950 0.320 0.000 2.115 475 F HA -0.125 4.401 4.527 -0.001 0.000 0.300 475 F C -0.294 175.561 175.800 0.091 0.000 1.092 475 F CA 1.747 59.850 58.000 0.172 0.000 1.245 475 F CB -3.062 36.017 39.000 0.132 0.000 0.995 475 F HN 0.374 nan 8.300 nan 0.000 0.481 476 P HA -0.193 nan 4.420 nan 0.000 0.216 476 P C 1.534 178.922 177.300 0.146 0.000 1.150 476 P CA 1.706 64.917 63.100 0.186 0.000 0.837 476 P CB -0.097 31.693 31.700 0.151 0.000 0.786 477 E N -0.615 119.672 120.200 0.145 0.000 2.347 477 E HA -0.131 4.219 4.350 -0.001 0.000 0.196 477 E C 1.810 178.502 176.600 0.153 0.000 1.008 477 E CA 0.438 56.913 56.400 0.125 0.000 0.852 477 E CB 0.064 29.818 29.700 0.091 0.000 0.783 477 E HN 0.195 nan 8.360 nan 0.000 0.505 478 R N 0.091 120.692 120.500 0.167 0.000 2.080 478 R HA -0.004 4.336 4.340 -0.001 0.000 0.222 478 R C 2.321 178.724 176.300 0.172 0.000 1.107 478 R CA 0.676 56.882 56.100 0.178 0.000 0.980 478 R CB -0.107 30.303 30.300 0.183 0.000 0.879 478 R HN 0.192 nan 8.270 nan 0.000 0.439 479 I N 1.570 122.188 120.570 0.080 0.000 2.264 479 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 479 I C 2.008 178.177 176.117 0.087 0.000 1.111 479 I CA 1.403 62.716 61.300 0.022 0.000 1.382 479 I CB -0.764 37.224 38.000 -0.019 0.000 1.060 479 I HN 0.006 nan 8.210 nan 0.000 0.418 480 K N 0.793 121.262 120.400 0.115 0.000 2.097 480 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 480 K C 2.002 178.687 176.600 0.142 0.000 1.049 480 K CA 1.193 57.547 56.287 0.113 0.000 0.933 480 K CB -0.714 31.853 32.500 0.112 0.000 0.717 480 K HN 0.220 nan 8.250 nan 0.000 0.442 481 F N 0.724 120.713 119.950 0.065 0.000 2.102 481 F HA -0.185 4.342 4.527 -0.001 0.000 0.298 481 F C 1.601 177.475 175.800 0.123 0.000 1.105 481 F CA 1.290 59.343 58.000 0.088 0.000 1.239 481 F CB -0.142 38.904 39.000 0.077 0.000 0.991 481 F HN -0.103 nan 8.300 nan 0.000 0.474 482 I N 0.822 121.419 120.570 0.045 0.000 2.142 482 I HA -0.253 3.916 4.170 -0.001 0.000 0.240 482 I C 2.343 178.443 176.117 -0.028 0.000 1.078 482 I CA 1.598 62.883 61.300 -0.025 0.000 1.343 482 I CB -1.567 36.509 38.000 0.128 0.000 1.046 482 I HN 0.287 nan 8.210 nan 0.000 0.405 483 E N 0.716 120.947 120.200 0.050 0.000 2.051 483 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 483 E C 1.831 178.459 176.600 0.048 0.000 0.991 483 E CA 1.122 57.573 56.400 0.085 0.000 0.799 483 E CB -0.159 29.579 29.700 0.064 0.000 0.748 483 E HN 0.526 nan 8.360 nan 0.000 0.449 484 E N 0.177 120.375 120.200 -0.002 0.000 2.515 484 E HA -0.089 4.261 4.350 -0.001 0.000 0.201 484 E C 0.433 176.983 176.600 -0.083 0.000 1.071 484 E CA 0.350 56.738 56.400 -0.020 0.000 0.880 484 E CB -0.043 29.656 29.700 -0.002 0.000 0.828 484 E HN 0.202 nan 8.360 nan 0.000 0.540 485 N N -1.154 117.465 118.700 -0.134 0.000 2.197 485 N HA -0.008 4.731 4.740 -0.001 0.000 0.228 485 N C 0.846 176.296 175.510 -0.101 0.000 1.212 485 N CA -0.081 52.848 53.050 -0.203 0.000 0.883 485 N CB 0.364 38.643 38.487 -0.346 0.000 1.107 485 N HN 0.081 nan 8.380 nan 0.000 0.519 486 H N 1.783 120.803 119.070 -0.083 0.000 2.278 486 H HA -0.217 4.339 4.556 -0.001 0.000 0.287 486 H C 1.605 176.936 175.328 0.005 0.000 1.107 486 H CA 2.070 58.129 56.048 0.019 0.000 1.192 486 H CB 0.239 30.069 29.762 0.114 0.000 1.346 486 H HN 0.114 nan 8.280 nan 0.000 0.478 487 E N 0.169 120.283 120.200 -0.144 0.000 2.077 487 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 487 E C 2.246 178.721 176.600 -0.209 0.000 0.989 487 E CA 1.203 57.474 56.400 -0.214 0.000 0.800 487 E CB -0.478 29.155 29.700 -0.112 0.000 0.746 487 E HN 0.668 nan 8.360 nan 0.000 0.452 488 N N 0.197 118.726 118.700 -0.286 0.000 2.069 488 N HA -0.119 4.620 4.740 -0.001 0.000 0.191 488 N C 2.062 177.558 175.510 -0.023 0.000 1.031 488 N CA 1.133 53.942 53.050 -0.401 0.000 0.852 488 N CB -0.106 37.642 38.487 -1.231 0.000 1.018 488 N HN 0.109 nan 8.380 nan 0.000 0.423 489 I N 0.524 121.129 120.570 0.058 0.000 2.127 489 I HA -0.290 3.880 4.170 -0.001 0.000 0.241 489 I C 2.045 178.173 176.117 0.018 0.000 1.075 489 I CA 0.935 62.308 61.300 0.121 0.000 1.334 489 I CB -0.292 37.582 38.000 -0.210 0.000 1.040 489 I HN 0.215 nan 8.210 nan 0.000 0.405 490 M N 0.720 120.276 119.600 -0.073 0.000 2.108 490 M HA -0.170 4.309 4.480 -0.001 0.000 0.261 490 M C 2.617 178.927 176.300 0.017 0.000 1.066 490 M CA 2.013 57.282 55.300 -0.053 0.000 1.107 490 M CB -1.625 30.875 32.600 -0.167 0.000 1.356 490 M HN 0.340 nan 8.290 nan 0.000 0.406 491 A N 0.101 122.930 122.820 0.015 0.000 1.851 491 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 491 A C 2.547 180.213 177.584 0.137 0.000 1.195 491 A CA 2.167 54.243 52.037 0.065 0.000 0.622 491 A CB -1.420 17.603 19.000 0.038 0.000 0.831 491 A HN 0.603 nan 8.150 nan 0.000 0.444 492 C N -0.770 118.654 119.300 0.206 0.000 2.411 492 C HA 0.053 4.513 4.460 -0.001 0.000 0.279 492 C C 3.229 178.234 174.990 0.024 0.000 1.288 492 C CA 0.673 59.839 59.018 0.246 0.000 1.764 492 C CB -1.601 26.417 27.740 0.463 0.000 1.974 492 C HN 0.691 nan 8.230 nan 0.000 0.498 493 A N 0.271 123.113 122.820 0.037 0.000 1.968 493 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 493 A C 2.190 179.941 177.584 0.278 0.000 1.169 493 A CA 1.852 53.968 52.037 0.133 0.000 0.638 493 A CB -0.383 18.692 19.000 0.126 0.000 0.812 493 A HN 0.670 nan 8.150 nan 0.000 0.446 494 K N -0.715 119.791 120.400 0.177 0.000 2.044 494 K HA 0.082 4.402 4.320 -0.001 0.000 0.204 494 K C 0.056 176.751 176.600 0.158 0.000 1.045 494 K CA 1.350 57.732 56.287 0.158 0.000 0.951 494 K CB 0.142 32.711 32.500 0.115 0.000 0.738 494 K HN 0.287 nan 8.250 nan 0.000 0.443 495 S N 1.778 117.574 115.700 0.160 0.000 2.128 495 S HA 0.198 4.667 4.470 -0.001 0.000 0.157 495 S C -2.248 172.479 174.600 0.211 0.000 1.650 495 S CA -1.079 57.223 58.200 0.170 0.000 1.269 495 S CB 1.473 64.764 63.200 0.152 0.000 1.227 495 S HN 0.240 nan 8.310 nan 0.000 0.405 496 P HA -0.204 nan 4.420 nan 0.000 0.217 496 P C 1.288 178.810 177.300 0.370 0.000 1.151 496 P CA 1.184 64.366 63.100 0.137 0.000 0.849 496 P CB 0.056 31.676 31.700 -0.133 0.000 0.787 497 L N -0.147 121.233 121.223 0.262 0.000 1.961 497 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 497 L C 2.858 179.928 176.870 0.333 0.000 1.072 497 L CA 1.796 56.801 54.840 0.274 0.000 0.749 497 L CB -1.360 40.839 42.059 0.233 0.000 0.889 497 L HN -0.047 nan 8.230 nan 0.000 0.432 498 E N 0.205 120.570 120.200 0.274 0.000 2.072 498 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 498 E C 0.400 177.146 176.600 0.244 0.000 0.985 498 E CA 0.839 57.384 56.400 0.241 0.000 0.801 498 E CB -0.125 29.681 29.700 0.177 0.000 0.750 498 E HN 0.539 nan 8.360 nan 0.000 0.452 499 N N 1.700 120.565 118.700 0.275 0.000 2.699 499 N HA 0.057 4.796 4.740 -0.001 0.000 0.232 499 N C -0.001 175.775 175.510 0.443 0.000 1.027 499 N CA -0.388 52.835 53.050 0.287 0.000 0.920 499 N CB 1.156 39.783 38.487 0.234 0.000 1.148 499 N HN 0.107 nan 8.380 nan 0.000 0.509 500 T N -1.332 113.393 114.554 0.284 0.000 3.976 500 T HA 0.004 4.353 4.350 -0.001 0.000 0.393 500 T C 0.864 175.600 174.700 0.059 0.000 1.208 500 T CA 0.560 62.630 62.100 -0.049 0.000 0.970 500 T CB 0.470 69.222 68.868 -0.193 0.000 1.759 500 T HN 0.768 nan 8.240 nan 0.000 0.527 501 W N -0.797 120.245 121.300 -0.429 0.000 0.423 501 W HA -0.240 4.420 4.660 -0.001 0.000 0.216 501 W C 1.323 177.673 176.519 -0.282 0.000 0.920 501 W CA 0.907 58.106 57.345 -0.243 0.000 0.330 501 W CB -1.752 27.677 29.460 -0.052 0.000 1.913 501 W HN 0.761 nan 8.180 nan 0.000 1.099 502 W N 0.936 122.176 121.300 -0.101 0.000 2.392 502 W HA 0.342 5.001 4.660 -0.001 0.000 0.279 502 W C 1.674 177.988 176.519 -0.341 0.000 1.225 502 W CA 1.729 58.921 57.345 -0.256 0.000 1.233 502 W CB -1.954 27.562 29.460 0.092 0.000 1.122 502 W HN 0.366 nan 8.180 nan 0.000 0.561 503 A N 1.056 123.056 122.820 -1.367 0.000 2.302 503 A HA 0.049 4.368 4.320 -0.001 0.000 0.219 503 A C 1.358 178.541 177.584 -0.668 0.000 1.243 503 A CA 0.314 51.612 52.037 -1.232 0.000 0.856 503 A CB -0.542 17.430 19.000 -1.714 0.000 0.893 503 A HN 0.434 nan 8.150 nan 0.000 0.491 504 E N -0.089 119.756 120.200 -0.592 0.000 2.603 504 E HA 0.080 4.430 4.350 -0.001 0.000 0.211 504 E C -0.454 175.880 176.600 -0.442 0.000 0.995 504 E CA -0.177 55.976 56.400 -0.412 0.000 0.990 504 E CB 0.381 29.908 29.700 -0.289 0.000 1.036 504 E HN 0.461 nan 8.360 nan 0.000 0.475 505 Q N 0.565 120.046 119.800 -0.532 0.000 2.257 505 Q HA 0.121 4.461 4.340 -0.001 0.000 0.262 505 Q C 0.202 176.015 176.000 -0.312 0.000 0.997 505 Q CA -0.340 55.148 55.803 -0.524 0.000 0.873 505 Q CB 1.367 29.595 28.738 -0.850 0.000 1.312 505 Q HN -0.035 nan 8.270 nan 0.000 0.450 506 D N 0.698 120.951 120.400 -0.245 0.000 2.154 506 D HA -0.143 4.496 4.640 -0.001 0.000 0.190 506 D C -0.094 176.159 176.300 -0.079 0.000 1.003 506 D CA 1.645 55.562 54.000 -0.138 0.000 0.849 506 D CB 0.043 40.774 40.800 -0.115 0.000 0.942 506 D HN 0.251 nan 8.370 nan 0.000 0.446 507 S N 1.321 116.982 115.700 -0.065 0.000 2.567 507 S HA 0.180 4.649 4.470 -0.001 0.000 0.262 507 S C -1.742 172.900 174.600 0.069 0.000 1.237 507 S CA -1.179 57.041 58.200 0.033 0.000 1.093 507 S CB 1.882 65.116 63.200 0.057 0.000 1.095 507 S HN 0.127 nan 8.310 nan 0.000 0.489 508 P HA -0.105 nan 4.420 nan 0.000 0.212 508 P C 1.011 178.432 177.300 0.201 0.000 1.180 508 P CA 1.309 64.420 63.100 0.019 0.000 0.906 508 P CB -0.032 31.512 31.700 -0.259 0.000 0.782 509 F N -0.033 120.112 119.950 0.325 0.000 2.216 509 F HA -0.134 4.392 4.527 -0.001 0.000 0.300 509 F C 2.790 178.687 175.800 0.162 0.000 1.085 509 F CA 0.909 59.045 58.000 0.226 0.000 1.326 509 F CB -1.677 37.434 39.000 0.184 0.000 1.027 509 F HN 0.023 nan 8.300 nan 0.000 0.497 510 C N -0.906 118.593 119.300 0.333 0.000 2.466 510 C HA -0.146 4.314 4.460 -0.001 0.000 0.278 510 C C 2.677 177.801 174.990 0.223 0.000 1.288 510 C CA 0.216 59.393 59.018 0.264 0.000 1.722 510 C CB -1.304 26.565 27.740 0.216 0.000 2.017 510 C HN 0.484 nan 8.230 nan 0.000 0.488 511 F N 1.390 121.380 119.950 0.066 0.000 2.095 511 F HA -0.145 4.382 4.527 -0.001 0.000 0.298 511 F C 2.096 177.981 175.800 0.142 0.000 1.104 511 F CA 1.553 59.588 58.000 0.057 0.000 1.232 511 F CB -0.569 38.411 39.000 -0.033 0.000 0.987 511 F HN 0.108 nan 8.300 nan 0.000 0.475 512 L N 0.913 122.216 121.223 0.132 0.000 1.989 512 L HA -0.146 4.193 4.340 -0.001 0.000 0.211 512 L C 2.526 179.152 176.870 -0.407 0.000 1.071 512 L CA 2.228 56.861 54.840 -0.344 0.000 0.749 512 L CB -1.518 40.141 42.059 -0.667 0.000 0.890 512 L HN 0.172 nan 8.230 nan 0.000 0.431 513 A N -0.878 121.911 122.820 -0.051 0.000 1.948 513 A HA -0.317 4.003 4.320 -0.001 0.000 0.220 513 A C 2.280 179.949 177.584 0.141 0.000 1.177 513 A CA 2.211 54.330 52.037 0.136 0.000 0.636 513 A CB -1.276 17.868 19.000 0.240 0.000 0.815 513 A HN 0.665 nan 8.150 nan 0.000 0.449 514 F N 0.007 119.914 119.950 -0.072 0.000 2.163 514 F HA -0.129 4.398 4.527 -0.001 0.000 0.297 514 F C 2.299 178.018 175.800 -0.135 0.000 1.094 514 F CA 1.240 59.199 58.000 -0.068 0.000 1.290 514 F CB -0.797 38.095 39.000 -0.179 0.000 1.017 514 F HN 0.240 nan 8.300 nan 0.000 0.483 515 C N 0.990 119.945 119.300 -0.575 0.000 2.401 515 C HA -0.203 4.257 4.460 -0.001 0.000 0.276 515 C C 2.726 177.536 174.990 -0.300 0.000 1.233 515 C CA 1.440 60.098 59.018 -0.600 0.000 1.753 515 C CB -1.742 25.759 27.740 -0.399 0.000 2.029 515 C HN 0.605 nan 8.230 nan 0.000 0.478 516 F N 0.885 120.727 119.950 -0.180 0.000 2.046 516 F HA -0.185 4.342 4.527 -0.001 0.000 0.297 516 F C 2.680 178.421 175.800 -0.098 0.000 1.123 516 F CA 1.163 59.103 58.000 -0.099 0.000 1.199 516 F CB -0.368 38.609 39.000 -0.040 0.000 0.972 516 F HN 0.208 nan 8.300 nan 0.000 0.474 517 E N -0.197 120.093 120.200 0.148 0.000 2.110 517 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 517 E C 1.791 178.342 176.600 -0.081 0.000 0.988 517 E CA 1.177 57.654 56.400 0.129 0.000 0.804 517 E CB -0.964 28.871 29.700 0.225 0.000 0.745 517 E HN 0.545 nan 8.360 nan 0.000 0.458 518 Y N 1.495 121.583 120.300 -0.354 0.000 2.128 518 Y HA -0.237 4.312 4.550 -0.001 0.000 0.284 518 Y C 2.317 178.027 175.900 -0.318 0.000 1.154 518 Y CA 1.938 59.820 58.100 -0.363 0.000 1.149 518 Y CB -0.382 37.656 38.460 -0.705 0.000 0.976 518 Y HN 0.020 nan 8.280 nan 0.000 0.505 519 A N 0.189 122.916 122.820 -0.156 0.000 1.933 519 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 519 A C 2.465 179.665 177.584 -0.640 0.000 1.175 519 A CA 1.687 53.507 52.037 -0.361 0.000 0.628 519 A CB -1.732 17.170 19.000 -0.163 0.000 0.814 519 A HN 0.624 nan 8.150 nan 0.000 0.444 520 G N -0.460 108.025 108.800 -0.524 0.000 2.418 520 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.217 520 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.217 520 G C 1.499 175.809 174.900 -0.983 0.000 1.158 520 G CA 1.250 45.873 45.100 -0.796 0.000 0.771 520 G HN 0.329 nan 8.290 nan 0.000 0.545 521 V N 0.670 120.044 119.914 -0.898 0.000 2.392 521 V HA -0.212 3.908 4.120 -0.001 0.000 0.249 521 V C 3.027 178.778 176.094 -0.571 0.000 1.059 521 V CA 1.925 63.829 62.300 -0.660 0.000 1.051 521 V CB -0.378 31.046 31.823 -0.664 0.000 0.658 521 V HN 0.325 nan 8.190 nan 0.000 0.455 522 Q N -0.277 119.150 119.800 -0.622 0.000 2.050 522 Q HA -0.186 4.154 4.340 -0.001 0.000 0.202 522 Q C 2.085 177.873 176.000 -0.354 0.000 0.980 522 Q CA 1.965 57.482 55.803 -0.477 0.000 0.840 522 Q CB -0.573 27.886 28.738 -0.466 0.000 0.898 522 Q HN 0.803 nan 8.270 nan 0.000 0.424 523 H N -1.670 117.158 119.070 -0.403 0.000 2.524 523 H HA 0.009 4.565 4.556 -0.001 0.000 0.282 523 H C 0.900 175.801 175.328 -0.712 0.000 1.016 523 H CA 0.768 56.495 56.048 -0.536 0.000 1.270 523 H CB 0.220 29.592 29.762 -0.650 0.000 1.394 523 H HN 0.433 nan 8.280 nan 0.000 0.568 524 H N -1.604 117.408 119.070 -0.097 0.000 3.457 524 H HA 0.287 4.843 4.556 -0.001 0.000 0.255 524 H C 0.993 176.282 175.328 -0.066 0.000 1.082 524 H CA -0.009 56.012 56.048 -0.046 0.000 1.189 524 H CB 1.659 31.448 29.762 0.044 0.000 1.511 524 H HN 0.412 nan 8.280 nan 0.000 0.527 525 G N 0.812 109.565 108.800 -0.078 0.000 2.710 525 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.668 525 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.668 525 G C 0.456 175.299 174.900 -0.095 0.000 1.320 525 G CA -0.273 44.758 45.100 -0.115 0.000 0.860 525 G HN 0.168 nan 8.290 nan 0.000 0.538 526 L N 0.617 121.770 121.223 -0.117 0.000 2.551 526 L HA -0.053 4.287 4.340 -0.001 0.000 0.230 526 L C 2.706 179.581 176.870 0.007 0.000 1.163 526 L CA 1.954 56.750 54.840 -0.074 0.000 0.826 526 L CB -0.643 41.384 42.059 -0.054 0.000 0.943 526 L HN 0.779 nan 8.230 nan 0.000 0.452 527 S N -2.306 113.411 115.700 0.029 0.000 2.605 527 S HA -0.046 4.423 4.470 -0.001 0.000 0.217 527 S C 0.472 175.104 174.600 0.054 0.000 0.958 527 S CA -0.528 57.690 58.200 0.029 0.000 0.919 527 S CB -0.460 62.750 63.200 0.017 0.000 0.780 527 S HN 0.326 nan 8.310 nan 0.000 0.507 528 Y N 4.300 124.574 120.300 -0.045 0.000 2.650 528 Y HA 0.208 4.758 4.550 -0.001 0.000 0.331 528 Y C 0.367 176.241 175.900 -0.043 0.000 1.165 528 Y CA -1.028 57.048 58.100 -0.039 0.000 1.473 528 Y CB 0.027 38.472 38.460 -0.026 0.000 1.224 528 Y HN 0.200 nan 8.280 nan 0.000 0.533 529 N N 6.246 124.613 118.700 -0.556 0.000 2.431 529 N HA 0.049 4.789 4.740 -0.001 0.000 0.265 529 N C -1.393 173.667 175.510 -0.750 0.000 1.184 529 N CA 0.201 52.959 53.050 -0.487 0.000 0.943 529 N CB 0.275 38.549 38.487 -0.355 0.000 1.080 529 N HN 0.710 nan 8.380 nan 0.000 0.477 530 C N 3.140 122.208 119.300 -0.388 0.000 2.498 530 C HA 0.540 4.999 4.460 -0.001 0.000 0.316 530 C C 1.105 176.006 174.990 -0.149 0.000 1.209 530 C CA -0.466 58.408 59.018 -0.240 0.000 1.518 530 C CB 0.602 28.341 27.740 -0.001 0.000 2.147 530 C HN 0.801 nan 8.230 nan 0.000 0.483 531 S N 3.784 119.410 115.700 -0.124 0.000 2.819 531 S HA 0.192 4.662 4.470 -0.001 0.000 0.249 531 S C -0.207 174.317 174.600 -0.127 0.000 1.030 531 S CA -0.260 57.855 58.200 -0.143 0.000 1.052 531 S CB -0.169 62.934 63.200 -0.160 0.000 1.017 531 S HN 0.748 nan 8.310 nan 0.000 0.576 532 L N 4.930 126.117 121.223 -0.060 0.000 2.562 532 L HA 0.317 4.657 4.340 -0.001 0.000 0.271 532 L C -2.345 174.435 176.870 -0.150 0.000 1.167 532 L CA -1.462 53.354 54.840 -0.039 0.000 0.917 532 L CB 0.052 42.142 42.059 0.051 0.000 1.187 532 L HN 0.043 nan 8.230 nan 0.000 0.482 533 P HA -0.033 nan 4.420 nan 0.000 0.261 533 P C -0.870 176.206 177.300 -0.373 0.000 1.203 533 P CA 0.262 63.234 63.100 -0.213 0.000 0.767 533 P CB 0.265 31.917 31.700 -0.080 0.000 0.785 534 L N 3.510 124.470 121.223 -0.437 0.000 2.261 534 L HA 0.381 4.721 4.340 -0.001 0.000 0.289 534 L C 0.979 177.546 176.870 -0.507 0.000 1.059 534 L CA -0.751 53.694 54.840 -0.658 0.000 0.816 534 L CB 0.912 42.657 42.059 -0.522 0.000 1.191 534 L HN 0.352 nan 8.230 nan 0.000 0.431 535 A N 4.589 127.238 122.820 -0.285 0.000 2.347 535 A HA 0.510 4.830 4.320 -0.001 0.000 0.287 535 A C -0.742 176.719 177.584 -0.204 0.000 1.199 535 A CA -0.161 51.808 52.037 -0.113 0.000 0.851 535 A CB -0.197 18.862 19.000 0.098 0.000 1.118 535 A HN 0.480 nan 8.150 nan 0.000 0.525 536 F N 1.764 121.680 119.950 -0.058 0.000 2.334 536 F HA 0.358 4.884 4.527 -0.001 0.000 0.367 536 F C 0.231 176.082 175.800 0.085 0.000 1.115 536 F CA -0.716 57.113 58.000 -0.284 0.000 1.116 536 F CB 1.611 40.367 39.000 -0.408 0.000 1.230 536 F HN 0.668 nan 8.300 nan 0.000 0.484 537 D N 2.236 122.938 120.400 0.504 0.000 2.391 537 D HA 0.502 5.141 4.640 -0.001 0.000 0.245 537 D C 0.358 177.058 176.300 0.667 0.000 1.069 537 D CA -0.343 53.988 54.000 0.552 0.000 0.831 537 D CB 1.323 42.352 40.800 0.381 0.000 1.204 537 D HN 0.637 nan 8.370 nan 0.000 0.503 538 G N 1.621 110.717 108.800 0.495 0.000 2.630 538 G HA2 0.317 4.276 3.960 -0.001 0.000 0.236 538 G HA3 0.317 4.276 3.960 -0.001 0.000 0.236 538 G C -0.016 175.004 174.900 0.200 0.000 1.248 538 G CA -0.383 44.915 45.100 0.329 0.000 0.844 538 G HN 0.564 nan 8.290 nan 0.000 0.588 539 S N -1.149 114.589 115.700 0.063 0.000 2.466 539 S HA 0.336 4.805 4.470 -0.001 0.000 0.313 539 S C 0.240 174.812 174.600 -0.048 0.000 1.078 539 S CA -0.171 58.023 58.200 -0.010 0.000 1.115 539 S CB 0.311 63.443 63.200 -0.113 0.000 1.006 539 S HN 1.829 nan 8.310 nan 0.000 0.487 540 C N 3.331 122.645 119.300 0.024 0.000 4.236 540 C HA -0.220 4.240 4.460 -0.001 0.000 0.311 540 C C 1.881 176.892 174.990 0.034 0.000 1.225 540 C CA 0.540 59.570 59.018 0.020 0.000 2.165 540 C CB -3.037 24.605 27.740 -0.164 0.000 1.316 540 C HN 1.420 nan 8.230 nan 0.000 0.670 541 S N 1.067 116.838 115.700 0.118 0.000 2.420 541 S HA -0.093 4.377 4.470 -0.001 0.000 0.237 541 S C 2.049 176.773 174.600 0.207 0.000 1.023 541 S CA 2.124 60.424 58.200 0.166 0.000 0.991 541 S CB -0.598 62.794 63.200 0.319 0.000 0.792 541 S HN 1.796 nan 8.310 nan 0.000 0.488 542 G N 2.822 111.710 108.800 0.146 0.000 2.587 542 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.217 542 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.217 542 G C 1.342 176.228 174.900 -0.024 0.000 1.240 542 G CA 1.169 46.301 45.100 0.053 0.000 0.794 542 G HN 0.489 nan 8.290 nan 0.000 0.580 543 I N 1.344 121.904 120.570 -0.017 0.000 2.361 543 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 543 I C 2.861 178.970 176.117 -0.013 0.000 1.133 543 I CA 0.948 62.270 61.300 0.035 0.000 1.413 543 I CB -1.345 36.630 38.000 -0.042 0.000 1.073 543 I HN 0.400 nan 8.210 nan 0.000 0.424 544 Q N -0.211 119.537 119.800 -0.085 0.000 2.030 544 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 544 Q C 2.281 178.117 176.000 -0.273 0.000 0.986 544 Q CA 1.418 57.107 55.803 -0.191 0.000 0.843 544 Q CB -0.375 28.221 28.738 -0.236 0.000 0.904 544 Q HN 0.584 nan 8.270 nan 0.000 0.420 545 H N -0.533 118.430 119.070 -0.177 0.000 2.352 545 H HA -0.135 4.421 4.556 -0.001 0.000 0.299 545 H C 2.053 177.227 175.328 -0.257 0.000 1.097 545 H CA 1.267 57.152 56.048 -0.272 0.000 1.311 545 H CB -0.180 29.477 29.762 -0.174 0.000 1.377 545 H HN 0.198 nan 8.280 nan 0.000 0.504 546 F N 1.195 121.118 119.950 -0.046 0.000 2.102 546 F HA -0.158 4.368 4.527 -0.001 0.000 0.298 546 F C 2.847 178.547 175.800 -0.165 0.000 1.105 546 F CA 0.942 58.898 58.000 -0.073 0.000 1.239 546 F CB -0.753 38.218 39.000 -0.047 0.000 0.991 546 F HN -0.009 nan 8.300 nan 0.000 0.474 547 S N -0.018 115.691 115.700 0.016 0.000 2.383 547 S HA -0.202 4.267 4.470 -0.001 0.000 0.229 547 S C 2.327 176.811 174.600 -0.195 0.000 1.030 547 S CA 1.021 59.162 58.200 -0.098 0.000 1.002 547 S CB -0.707 62.421 63.200 -0.120 0.000 0.829 547 S HN 0.373 nan 8.310 nan 0.000 0.467 548 A N 2.573 125.179 122.820 -0.357 0.000 1.855 548 A HA -0.072 4.248 4.320 -0.001 0.000 0.215 548 A C 2.198 179.489 177.584 -0.489 0.000 1.191 548 A CA 1.700 53.395 52.037 -0.569 0.000 0.613 548 A CB -0.748 17.562 19.000 -1.150 0.000 0.829 548 A HN 0.669 nan 8.150 nan 0.000 0.442 549 M N -1.498 117.806 119.600 -0.493 0.000 2.630 549 M HA 0.212 4.692 4.480 -0.001 0.000 0.254 549 M C 0.814 177.087 176.300 -0.045 0.000 1.092 549 M CA 1.420 56.668 55.300 -0.087 0.000 1.087 549 M CB -0.271 32.411 32.600 0.137 0.000 1.453 549 M HN 0.232 nan 8.290 nan 0.000 0.509 550 L N -0.439 120.730 121.223 -0.090 0.000 2.817 550 L HA 0.321 4.661 4.340 -0.001 0.000 0.248 550 L C 0.426 177.241 176.870 -0.091 0.000 1.133 550 L CA -0.493 54.295 54.840 -0.087 0.000 0.935 550 L CB 0.221 42.225 42.059 -0.092 0.000 1.266 550 L HN 0.272 nan 8.230 nan 0.000 0.535 551 R N 0.090 120.529 120.500 -0.102 0.000 3.875 551 R HA -0.198 4.141 4.340 -0.001 0.000 0.321 551 R C -0.008 176.238 176.300 -0.090 0.000 1.196 551 R CA 0.619 56.664 56.100 -0.091 0.000 0.868 551 R CB -2.658 27.603 30.300 -0.066 0.000 1.333 551 R HN 0.351 nan 8.270 nan 0.000 0.522 552 D N 1.299 121.639 120.400 -0.100 0.000 2.346 552 D HA 0.007 4.646 4.640 -0.001 0.000 0.267 552 D C 1.210 177.454 176.300 -0.093 0.000 1.320 552 D CA 0.350 54.293 54.000 -0.095 0.000 0.951 552 D CB 0.467 41.208 40.800 -0.098 0.000 1.079 552 D HN 0.365 nan 8.370 nan 0.000 0.509 553 E N 2.438 122.589 120.200 -0.082 0.000 2.072 553 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 553 E C 1.723 178.276 176.600 -0.080 0.000 0.982 553 E CA 0.579 56.932 56.400 -0.077 0.000 0.803 553 E CB 0.327 29.989 29.700 -0.065 0.000 0.755 553 E HN 0.387 nan 8.360 nan 0.000 0.453 554 V N 0.679 120.545 119.914 -0.080 0.000 2.261 554 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 554 V C 2.389 178.427 176.094 -0.094 0.000 1.047 554 V CA 2.034 64.285 62.300 -0.083 0.000 1.015 554 V CB -1.117 30.657 31.823 -0.083 0.000 0.642 554 V HN 0.513 nan 8.190 nan 0.000 0.446 555 G N 0.007 108.748 108.800 -0.098 0.000 2.459 555 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.217 555 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.217 555 G C 1.678 176.512 174.900 -0.110 0.000 1.183 555 G CA 1.008 46.045 45.100 -0.104 0.000 0.776 555 G HN 0.600 nan 8.290 nan 0.000 0.552 556 G N 0.966 109.701 108.800 -0.109 0.000 2.469 556 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.219 556 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.219 556 G C 1.860 176.696 174.900 -0.107 0.000 1.150 556 G CA 1.559 46.589 45.100 -0.117 0.000 0.763 556 G HN 0.531 nan 8.290 nan 0.000 0.561 557 R N 1.490 121.933 120.500 -0.095 0.000 2.097 557 R HA -0.026 4.314 4.340 -0.001 0.000 0.236 557 R C 2.759 178.998 176.300 -0.102 0.000 1.135 557 R CA 2.401 58.449 56.100 -0.086 0.000 0.934 557 R CB -1.302 28.950 30.300 -0.079 0.000 0.846 557 R HN 0.284 nan 8.270 nan 0.000 0.431 558 A N 0.253 123.002 122.820 -0.117 0.000 1.892 558 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 558 A C 1.820 179.303 177.584 -0.168 0.000 1.188 558 A CA 2.138 54.088 52.037 -0.144 0.000 0.631 558 A CB -0.956 17.954 19.000 -0.150 0.000 0.822 558 A HN 0.512 nan 8.150 nan 0.000 0.447 559 V N -3.116 116.702 119.914 -0.160 0.000 3.219 559 V HA 0.209 4.329 4.120 -0.001 0.000 0.377 559 V C -0.027 175.986 176.094 -0.135 0.000 1.275 559 V CA -0.056 62.143 62.300 -0.168 0.000 1.366 559 V CB -1.719 30.007 31.823 -0.161 0.000 1.282 559 V HN 0.565 nan 8.190 nan 0.000 0.487 560 N N 0.050 118.683 118.700 -0.111 0.000 2.710 560 N HA -0.208 4.531 4.740 -0.001 0.000 0.249 560 N C 0.277 175.747 175.510 -0.067 0.000 1.059 560 N CA 0.935 53.951 53.050 -0.057 0.000 0.720 560 N CB -0.862 37.614 38.487 -0.018 0.000 0.983 560 N HN 0.510 nan 8.380 nan 0.000 0.544 561 L N -0.100 121.068 121.223 -0.091 0.000 2.645 561 L HA 0.326 4.665 4.340 -0.001 0.000 0.234 561 L C 0.566 177.386 176.870 -0.084 0.000 1.165 561 L CA 0.737 55.513 54.840 -0.107 0.000 0.944 561 L CB 0.055 42.033 42.059 -0.134 0.000 1.149 561 L HN 0.241 nan 8.230 nan 0.000 0.446 562 L N -0.127 121.062 121.223 -0.057 0.000 2.466 562 L HA 0.451 4.790 4.340 -0.001 0.000 0.258 562 L C -2.397 174.463 176.870 -0.017 0.000 0.973 562 L CA -1.804 53.011 54.840 -0.042 0.000 0.826 562 L CB 2.660 44.695 42.059 -0.041 0.000 1.372 562 L HN -0.193 nan 8.230 nan 0.000 0.409 563 P HA 0.026 nan 4.420 nan 0.000 0.265 563 P C -0.833 176.484 177.300 0.028 0.000 1.187 563 P CA 0.286 63.384 63.100 -0.002 0.000 0.766 563 P CB 1.544 33.242 31.700 -0.003 0.000 0.820 564 S N 0.677 116.423 115.700 0.077 0.000 2.596 564 S HA 0.260 4.729 4.470 -0.001 0.000 0.270 564 S C 0.925 175.634 174.600 0.181 0.000 1.155 564 S CA -0.595 57.673 58.200 0.113 0.000 0.827 564 S CB 1.192 64.466 63.200 0.123 0.000 1.130 564 S HN 0.492 nan 8.310 nan 0.000 0.467 565 E N 1.910 122.174 120.200 0.108 0.000 2.001 565 E HA 0.008 4.358 4.350 -0.001 0.000 0.193 565 E C 0.939 177.617 176.600 0.131 0.000 0.994 565 E CA 1.367 57.828 56.400 0.101 0.000 0.815 565 E CB -1.160 28.561 29.700 0.035 0.000 0.770 565 E HN 0.489 nan 8.360 nan 0.000 0.453 566 T N 0.768 115.304 114.554 -0.029 0.000 2.944 566 T HA 0.410 4.759 4.350 -0.001 0.000 0.284 566 T C -0.428 173.887 174.700 -0.641 0.000 1.010 566 T CA -0.289 61.656 62.100 -0.259 0.000 1.025 566 T CB 1.469 70.211 68.868 -0.210 0.000 1.079 566 T HN 0.165 nan 8.240 nan 0.000 0.516 567 V N 4.428 123.564 119.914 -1.297 0.000 2.555 567 V HA 0.385 4.505 4.120 -0.001 0.000 0.286 567 V C -0.268 175.463 176.094 -0.605 0.000 1.044 567 V CA -0.350 61.054 62.300 -1.494 0.000 1.026 567 V CB 0.876 31.773 31.823 -1.544 0.000 0.981 567 V HN 0.813 nan 8.190 nan 0.000 0.480 568 Q N 4.583 124.152 119.800 -0.386 0.000 2.288 568 Q HA 0.329 4.669 4.340 -0.001 0.000 0.258 568 Q C -0.653 175.195 176.000 -0.253 0.000 0.957 568 Q CA 0.062 55.712 55.803 -0.253 0.000 0.919 568 Q CB 1.234 29.865 28.738 -0.178 0.000 1.185 568 Q HN 0.890 nan 8.270 nan 0.000 0.408 569 D N 3.077 123.341 120.400 -0.226 0.000 2.464 569 D HA 0.142 4.782 4.640 -0.001 0.000 0.243 569 D C 0.721 176.883 176.300 -0.231 0.000 1.104 569 D CA -0.359 53.508 54.000 -0.221 0.000 0.883 569 D CB 0.341 41.051 40.800 -0.150 0.000 1.050 569 D HN 0.598 nan 8.370 nan 0.000 0.524 570 I N 3.406 123.771 120.570 -0.341 0.000 2.423 570 I HA -0.318 3.852 4.170 -0.001 0.000 0.254 570 I C 0.761 176.739 176.117 -0.233 0.000 1.151 570 I CA 1.327 62.436 61.300 -0.318 0.000 1.421 570 I CB 0.133 37.895 38.000 -0.396 0.000 1.079 570 I HN 0.391 nan 8.210 nan 0.000 0.431 571 Y N 0.493 120.734 120.300 -0.100 0.000 2.263 571 Y HA 0.008 4.558 4.550 -0.001 0.000 0.292 571 Y C 2.590 178.432 175.900 -0.097 0.000 1.130 571 Y CA 0.842 58.882 58.100 -0.101 0.000 1.179 571 Y CB -1.492 36.916 38.460 -0.087 0.000 0.998 571 Y HN 0.135 nan 8.280 nan 0.000 0.532 572 G N 0.218 109.041 108.800 0.038 0.000 2.402 572 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 572 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 572 G C 1.744 176.620 174.900 -0.041 0.000 1.162 572 G CA 0.987 46.080 45.100 -0.012 0.000 0.777 572 G HN 0.385 nan 8.290 nan 0.000 0.539 573 I N 0.469 120.998 120.570 -0.068 0.000 2.208 573 I HA -0.173 3.996 4.170 -0.001 0.000 0.245 573 I C 2.653 178.730 176.117 -0.067 0.000 1.097 573 I CA 0.646 61.899 61.300 -0.078 0.000 1.363 573 I CB -0.210 37.728 38.000 -0.102 0.000 1.051 573 I HN 0.032 nan 8.210 nan 0.000 0.413 574 V N 0.761 120.640 119.914 -0.059 0.000 2.591 574 V HA -0.153 3.966 4.120 -0.001 0.000 0.249 574 V C 2.633 178.687 176.094 -0.066 0.000 1.053 574 V CA 1.595 63.855 62.300 -0.067 0.000 1.068 574 V CB -0.617 31.169 31.823 -0.062 0.000 0.689 574 V HN 0.453 nan 8.190 nan 0.000 0.462 575 A N 0.032 122.824 122.820 -0.046 0.000 1.898 575 A HA -0.231 4.088 4.320 -0.001 0.000 0.216 575 A C 2.226 179.785 177.584 -0.041 0.000 1.181 575 A CA 2.151 54.161 52.037 -0.045 0.000 0.620 575 A CB -0.406 18.581 19.000 -0.022 0.000 0.819 575 A HN 0.440 nan 8.150 nan 0.000 0.442 576 K N -0.059 120.318 120.400 -0.039 0.000 2.097 576 K HA -0.112 4.208 4.320 -0.001 0.000 0.205 576 K C 2.033 178.611 176.600 -0.037 0.000 1.050 576 K CA 1.733 57.999 56.287 -0.034 0.000 0.938 576 K CB -0.135 32.342 32.500 -0.039 0.000 0.718 576 K HN 0.322 nan 8.250 nan 0.000 0.442 577 K N -0.010 120.360 120.400 -0.049 0.000 2.026 577 K HA -0.064 4.255 4.320 -0.001 0.000 0.208 577 K C 1.705 178.274 176.600 -0.053 0.000 1.048 577 K CA 1.546 57.802 56.287 -0.051 0.000 0.929 577 K CB -0.473 31.989 32.500 -0.064 0.000 0.713 577 K HN -0.013 nan 8.250 nan 0.000 0.439 578 V N 1.554 121.426 119.914 -0.071 0.000 2.252 578 V HA -0.352 3.767 4.120 -0.001 0.000 0.249 578 V C 1.926 177.990 176.094 -0.051 0.000 1.056 578 V CA 2.426 64.672 62.300 -0.091 0.000 1.022 578 V CB -0.822 30.920 31.823 -0.136 0.000 0.641 578 V HN 0.463 nan 8.190 nan 0.000 0.445 579 N N -0.374 118.309 118.700 -0.028 0.000 2.060 579 N HA -0.258 4.482 4.740 -0.001 0.000 0.195 579 N C 1.853 177.374 175.510 0.017 0.000 1.028 579 N CA 1.721 54.775 53.050 0.008 0.000 0.861 579 N CB -0.193 38.300 38.487 0.010 0.000 1.029 579 N HN 0.615 nan 8.380 nan 0.000 0.428 580 E N 0.231 120.432 120.200 0.002 0.000 2.118 580 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 580 E C 1.876 178.488 176.600 0.019 0.000 0.992 580 E CA 0.793 57.197 56.400 0.007 0.000 0.804 580 E CB 0.040 29.737 29.700 -0.005 0.000 0.741 580 E HN 0.382 nan 8.360 nan 0.000 0.458 581 I N 0.920 121.497 120.570 0.012 0.000 2.142 581 I HA -0.256 3.914 4.170 -0.001 0.000 0.240 581 I C 2.479 178.641 176.117 0.076 0.000 1.078 581 I CA 1.304 62.621 61.300 0.028 0.000 1.343 581 I CB -1.310 36.684 38.000 -0.010 0.000 1.046 581 I HN 0.157 nan 8.210 nan 0.000 0.405 582 L N 0.115 121.389 121.223 0.086 0.000 1.990 582 L HA -0.251 4.089 4.340 -0.001 0.000 0.213 582 L C 2.705 179.648 176.870 0.121 0.000 1.072 582 L CA 1.399 56.332 54.840 0.155 0.000 0.755 582 L CB -0.904 41.251 42.059 0.159 0.000 0.889 582 L HN 0.283 nan 8.230 nan 0.000 0.432 583 Q N 0.186 120.036 119.800 0.082 0.000 2.248 583 Q HA -0.102 4.237 4.340 -0.001 0.000 0.208 583 Q C 0.955 176.990 176.000 0.058 0.000 0.984 583 Q CA 1.244 57.085 55.803 0.062 0.000 0.875 583 Q CB -0.420 28.343 28.738 0.042 0.000 0.910 583 Q HN 0.515 nan 8.270 nan 0.000 0.433 584 A N 2.025 124.882 122.820 0.062 0.000 2.350 584 A HA 0.203 4.523 4.320 -0.001 0.000 0.293 584 A C -0.854 176.771 177.584 0.069 0.000 1.231 584 A CA -0.315 51.756 52.037 0.056 0.000 0.883 584 A CB 0.168 19.198 19.000 0.051 0.000 1.133 584 A HN -0.078 nan 8.150 nan 0.000 0.533 585 D N 2.000 122.432 120.400 0.054 0.000 2.454 585 D HA 0.608 5.248 4.640 -0.001 0.000 0.247 585 D C 0.652 176.974 176.300 0.037 0.000 1.129 585 D CA 0.930 54.961 54.000 0.050 0.000 0.877 585 D CB 1.357 42.183 40.800 0.044 0.000 1.082 585 D HN 0.785 nan 8.370 nan 0.000 0.537 586 A N 2.309 125.152 122.820 0.038 0.000 3.522 586 A HA -0.174 4.145 4.320 -0.001 0.000 0.196 586 A C 1.327 178.931 177.584 0.034 0.000 1.270 586 A CA 0.161 52.215 52.037 0.030 0.000 1.266 586 A CB -1.592 17.422 19.000 0.023 0.000 0.812 586 A HN 0.470 nan 8.150 nan 0.000 0.411 587 I N 0.805 121.397 120.570 0.037 0.000 2.614 587 I HA -0.077 4.092 4.170 -0.001 0.000 0.258 587 I C 1.325 177.472 176.117 0.049 0.000 1.189 587 I CA 2.526 63.849 61.300 0.037 0.000 1.462 587 I CB -0.066 37.954 38.000 0.033 0.000 1.092 587 I HN 0.698 nan 8.210 nan 0.000 0.442 588 N N 0.344 119.082 118.700 0.064 0.000 2.104 588 N HA 0.054 4.793 4.740 -0.001 0.000 0.227 588 N C 0.669 176.240 175.510 0.102 0.000 1.321 588 N CA 0.381 53.486 53.050 0.092 0.000 0.877 588 N CB 0.496 39.050 38.487 0.112 0.000 1.117 588 N HN 0.224 nan 8.380 nan 0.000 0.486 589 G N 1.043 109.887 108.800 0.074 0.000 2.338 589 G HA2 0.486 4.446 3.960 -0.001 0.000 0.298 589 G HA3 0.486 4.446 3.960 -0.001 0.000 0.298 589 G C -0.110 174.808 174.900 0.030 0.000 1.140 589 G CA 0.052 45.181 45.100 0.048 0.000 0.860 589 G HN 0.311 nan 8.290 nan 0.000 0.470 590 T N -0.269 114.295 114.554 0.016 0.000 2.927 590 T HA 0.562 4.912 4.350 -0.001 0.000 0.286 590 T C -0.618 174.081 174.700 -0.001 0.000 1.040 590 T CA -0.925 61.182 62.100 0.012 0.000 1.010 590 T CB 1.919 70.798 68.868 0.019 0.000 1.177 590 T HN 0.281 nan 8.240 nan 0.000 0.546 591 D N 1.264 121.664 120.400 0.001 0.000 2.358 591 D HA 0.275 4.914 4.640 -0.001 0.000 0.244 591 D C -0.055 176.240 176.300 -0.007 0.000 1.163 591 D CA -0.300 53.698 54.000 -0.004 0.000 0.945 591 D CB 0.308 41.108 40.800 -0.001 0.000 1.152 591 D HN 0.431 nan 8.370 nan 0.000 0.451 592 N N 1.971 120.664 118.700 -0.011 0.000 2.419 592 N HA 0.110 4.850 4.740 -0.001 0.000 0.264 592 N C 0.161 175.667 175.510 -0.007 0.000 1.031 592 N CA -0.331 52.712 53.050 -0.012 0.000 0.951 592 N CB 1.335 39.812 38.487 -0.017 0.000 1.101 592 N HN 0.288 nan 8.380 nan 0.000 0.488 613 T N 0.130 114.625 114.554 -0.099 0.000 5.270 613 T HA 0.076 4.425 4.350 -0.001 0.000 0.226 613 T C 1.947 176.547 174.700 -0.167 0.000 0.799 613 T CA 1.361 63.337 62.100 -0.207 0.000 2.020 613 T CB -0.542 68.303 68.868 -0.038 0.000 1.350 613 T HN 0.936 nan 8.240 nan 0.000 0.268 614 K N 0.398 120.758 120.400 -0.068 0.000 2.988 614 K HA -0.408 3.911 4.320 -0.001 0.000 0.275 614 K C 2.057 178.633 176.600 -0.040 0.000 0.706 614 K CA 2.284 58.557 56.287 -0.024 0.000 1.177 614 K CB -1.377 31.118 32.500 -0.009 0.000 0.936 614 K HN 0.430 nan 8.250 nan 0.000 0.672 615 A N 0.395 123.186 122.820 -0.048 0.000 1.927 615 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 615 A C 2.134 179.680 177.584 -0.062 0.000 1.185 615 A CA 2.123 54.133 52.037 -0.045 0.000 0.639 615 A CB -0.620 18.353 19.000 -0.045 0.000 0.820 615 A HN 0.479 nan 8.150 nan 0.000 0.451 616 L N -0.417 120.730 121.223 -0.128 0.000 2.017 616 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 616 L C 2.814 179.654 176.870 -0.049 0.000 1.073 616 L CA 2.242 56.981 54.840 -0.168 0.000 0.745 616 L CB -0.911 40.904 42.059 -0.407 0.000 0.894 616 L HN 0.376 nan 8.230 nan 0.000 0.432 617 A N -0.773 121.996 122.820 -0.086 0.000 1.908 617 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 617 A C 2.361 180.090 177.584 0.243 0.000 1.181 617 A CA 1.628 53.814 52.037 0.248 0.000 0.627 617 A CB -1.582 17.559 19.000 0.235 0.000 0.818 617 A HN 0.524 nan 8.150 nan 0.000 0.445 618 G N -0.715 108.148 108.800 0.106 0.000 2.442 618 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 618 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 618 G C 1.568 176.502 174.900 0.057 0.000 1.141 618 G CA 1.038 46.183 45.100 0.075 0.000 0.763 618 G HN 0.681 nan 8.290 nan 0.000 0.554 619 Q N -0.877 118.927 119.800 0.007 0.000 2.135 619 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 619 Q C 2.355 178.284 176.000 -0.117 0.000 0.981 619 Q CA 1.388 57.106 55.803 -0.142 0.000 0.856 619 Q CB -0.206 28.397 28.738 -0.225 0.000 0.902 619 Q HN 0.766 nan 8.270 nan 0.000 0.425 620 W N 0.766 122.163 121.300 0.161 0.000 2.407 620 W HA -0.033 4.627 4.660 -0.001 0.000 0.305 620 W C 1.972 178.612 176.519 0.201 0.000 1.196 620 W CA 0.267 57.765 57.345 0.255 0.000 1.311 620 W CB -0.184 29.453 29.460 0.295 0.000 1.135 620 W HN 0.045 nan 8.180 nan 0.000 0.514 621 L N 0.133 121.580 121.223 0.374 0.000 2.129 621 L HA -0.279 4.061 4.340 -0.001 0.000 0.212 621 L C 2.566 179.531 176.870 0.159 0.000 1.087 621 L CA 1.371 56.349 54.840 0.230 0.000 0.757 621 L CB -1.158 40.996 42.059 0.157 0.000 0.896 621 L HN 0.034 nan 8.230 nan 0.000 0.434 622 A N -0.808 122.080 122.820 0.113 0.000 1.898 622 A HA -0.268 4.051 4.320 -0.001 0.000 0.216 622 A C 2.177 179.786 177.584 0.042 0.000 1.181 622 A CA 1.333 53.389 52.037 0.031 0.000 0.620 622 A CB -0.849 18.124 19.000 -0.045 0.000 0.819 622 A HN 0.472 nan 8.150 nan 0.000 0.442 623 Y N 0.585 120.860 120.300 -0.042 0.000 2.333 623 Y HA 0.187 4.737 4.550 -0.001 0.000 0.290 623 Y C 1.210 177.172 175.900 0.102 0.000 1.144 623 Y CA 0.952 59.046 58.100 -0.009 0.000 1.228 623 Y CB -0.372 38.115 38.460 0.046 0.000 0.985 623 Y HN 0.586 nan 8.280 nan 0.000 0.542 624 G N 1.216 110.149 108.800 0.222 0.000 2.738 624 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.262 624 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.262 624 G C -0.714 174.331 174.900 0.240 0.000 1.032 624 G CA 0.016 45.194 45.100 0.131 0.000 1.278 624 G HN 0.316 nan 8.290 nan 0.000 0.537 625 V N 2.930 123.045 119.914 0.335 0.000 2.521 625 V HA 0.642 4.761 4.120 -0.001 0.000 0.286 625 V C 1.250 177.421 176.094 0.129 0.000 1.034 625 V CA 0.954 63.428 62.300 0.291 0.000 1.045 625 V CB 0.809 32.723 31.823 0.152 0.000 0.974 625 V HN 1.246 nan 8.190 nan 0.000 0.480 626 T N 2.349 116.967 114.554 0.107 0.000 2.693 626 T HA 0.399 4.748 4.350 -0.001 0.000 0.278 626 T C 1.082 175.791 174.700 0.015 0.000 0.994 626 T CA -0.493 61.632 62.100 0.041 0.000 1.033 626 T CB 1.260 70.144 68.868 0.026 0.000 1.342 626 T HN 0.578 nan 8.240 nan 0.000 0.538 627 R N 0.668 121.170 120.500 0.003 0.000 2.193 627 R HA -0.042 4.297 4.340 -0.001 0.000 0.229 627 R C 1.860 178.129 176.300 -0.051 0.000 1.110 627 R CA 1.704 57.803 56.100 -0.003 0.000 0.988 627 R CB -1.112 29.210 30.300 0.037 0.000 0.871 627 R HN 0.441 nan 8.270 nan 0.000 0.458 628 S N 0.964 116.651 115.700 -0.022 0.000 2.372 628 S HA -0.085 4.385 4.470 -0.001 0.000 0.227 628 S C 1.273 175.842 174.600 -0.052 0.000 1.044 628 S CA 1.341 59.526 58.200 -0.026 0.000 1.050 628 S CB -0.254 62.969 63.200 0.038 0.000 0.901 628 S HN 0.184 nan 8.310 nan 0.000 0.447 629 V N 1.114 121.015 119.914 -0.022 0.000 3.441 629 V HA 0.305 4.425 4.120 -0.001 0.000 0.300 629 V C 1.737 177.732 176.094 -0.166 0.000 1.062 629 V CA 0.441 62.695 62.300 -0.076 0.000 1.064 629 V CB 0.539 32.325 31.823 -0.062 0.000 1.197 629 V HN 0.661 nan 8.190 nan 0.000 0.451 630 T N -0.592 113.825 114.554 -0.229 0.000 10.123 630 T HA -0.412 3.938 4.350 -0.001 0.000 0.405 630 T C 1.334 175.854 174.700 -0.300 0.000 1.550 630 T CA 2.407 64.337 62.100 -0.284 0.000 2.509 630 T CB -1.590 67.143 68.868 -0.225 0.000 2.883 630 T HN 1.003 nan 8.240 nan 0.000 1.132 631 K N 2.376 122.575 120.400 -0.334 0.000 2.001 631 K HA -0.064 4.256 4.320 -0.001 0.000 0.214 631 K C 2.381 178.683 176.600 -0.497 0.000 1.050 631 K CA 2.223 58.133 56.287 -0.629 0.000 0.934 631 K CB -0.883 31.137 32.500 -0.801 0.000 0.718 631 K HN 0.608 nan 8.250 nan 0.000 0.443 632 R N 0.340 120.644 120.500 -0.326 0.000 2.105 632 R HA -0.070 4.269 4.340 -0.001 0.000 0.239 632 R C 2.047 178.251 176.300 -0.160 0.000 1.135 632 R CA 1.873 57.864 56.100 -0.181 0.000 0.967 632 R CB -0.365 29.872 30.300 -0.104 0.000 0.861 632 R HN 0.432 nan 8.270 nan 0.000 0.442 633 S N -0.157 115.358 115.700 -0.309 0.000 2.399 633 S HA -0.082 4.388 4.470 -0.001 0.000 0.231 633 S C 1.822 176.167 174.600 -0.424 0.000 1.022 633 S CA 1.197 59.033 58.200 -0.606 0.000 0.983 633 S CB 0.068 62.578 63.200 -1.151 0.000 0.803 633 S HN 0.161 nan 8.310 nan 0.000 0.480 634 V N 2.723 122.502 119.914 -0.226 0.000 2.591 634 V HA -0.083 4.037 4.120 -0.001 0.000 0.249 634 V C 2.211 178.328 176.094 0.037 0.000 1.053 634 V CA 1.707 63.983 62.300 -0.040 0.000 1.068 634 V CB -0.686 31.240 31.823 0.172 0.000 0.689 634 V HN 0.680 nan 8.190 nan 0.000 0.462 635 M N 0.466 120.106 119.600 0.066 0.000 2.514 635 M HA 0.027 4.506 4.480 -0.001 0.000 0.258 635 M C 1.714 177.905 176.300 -0.182 0.000 1.119 635 M CA 1.645 56.943 55.300 -0.003 0.000 1.111 635 M CB -0.520 32.147 32.600 0.113 0.000 1.390 635 M HN 0.310 nan 8.290 nan 0.000 0.475 636 T N -1.457 113.093 114.554 -0.005 0.000 3.044 636 T HA 0.126 4.476 4.350 -0.001 0.000 0.250 636 T C 1.552 176.365 174.700 0.188 0.000 1.081 636 T CA 0.188 62.366 62.100 0.130 0.000 1.040 636 T CB -0.223 68.807 68.868 0.270 0.000 0.962 636 T HN 0.371 nan 8.240 nan 0.000 0.506 637 L N 2.554 123.885 121.223 0.180 0.000 1.989 637 L HA 0.172 4.512 4.340 -0.001 0.000 0.211 637 L C 2.634 179.587 176.870 0.139 0.000 1.071 637 L CA 2.206 57.191 54.840 0.240 0.000 0.749 637 L CB -1.259 40.904 42.059 0.173 0.000 0.890 637 L HN 0.299 nan 8.230 nan 0.000 0.431 638 A N -2.084 120.758 122.820 0.037 0.000 2.216 638 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 638 A C 1.621 179.418 177.584 0.355 0.000 1.160 638 A CA 1.156 53.258 52.037 0.108 0.000 0.725 638 A CB -0.874 18.229 19.000 0.171 0.000 0.784 638 A HN 0.647 nan 8.150 nan 0.000 0.472 639 Y N -1.638 118.807 120.300 0.241 0.000 2.478 639 Y HA 0.354 4.903 4.550 -0.001 0.000 0.261 639 Y C 1.940 177.938 175.900 0.164 0.000 1.127 639 Y CA -0.098 58.116 58.100 0.190 0.000 1.288 639 Y CB 0.041 38.581 38.460 0.132 0.000 1.084 639 Y HN 0.406 nan 8.280 nan 0.000 0.530 640 G N -1.124 107.859 108.800 0.305 0.000 2.296 640 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.188 640 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.188 640 G C 0.308 175.325 174.900 0.194 0.000 1.000 640 G CA 0.043 45.273 45.100 0.215 0.000 0.672 640 G HN 0.221 nan 8.290 nan 0.000 0.483 641 S N 1.560 117.408 115.700 0.247 0.000 2.525 641 S HA 0.493 4.962 4.470 -0.001 0.000 0.285 641 S C 0.692 175.350 174.600 0.098 0.000 1.283 641 S CA 0.274 58.605 58.200 0.219 0.000 1.072 641 S CB 0.432 63.858 63.200 0.376 0.000 0.867 641 S HN 0.331 nan 8.310 nan 0.000 0.492 642 K N 3.147 123.479 120.400 -0.114 0.000 2.416 642 K HA 0.257 4.577 4.320 -0.001 0.000 0.244 642 K C 1.366 177.429 176.600 -0.894 0.000 1.044 642 K CA -0.710 55.339 56.287 -0.397 0.000 0.972 642 K CB 0.172 32.498 32.500 -0.290 0.000 1.286 642 K HN 0.816 nan 8.250 nan 0.000 0.500 643 E N 0.258 119.790 120.200 -1.112 0.000 2.118 643 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 643 E C 1.495 177.863 176.600 -0.387 0.000 0.992 643 E CA 1.259 57.124 56.400 -0.891 0.000 0.804 643 E CB -0.052 29.135 29.700 -0.855 0.000 0.741 643 E HN 0.447 nan 8.360 nan 0.000 0.458 644 F N 0.494 120.211 119.950 -0.389 0.000 2.234 644 F HA 0.043 4.570 4.527 -0.001 0.000 0.299 644 F C 1.901 177.635 175.800 -0.110 0.000 1.087 644 F CA 1.589 59.472 58.000 -0.196 0.000 1.340 644 F CB -0.493 38.408 39.000 -0.164 0.000 1.031 644 F HN 0.041 nan 8.300 nan 0.000 0.500 645 G N -0.172 108.541 108.800 -0.145 0.000 2.408 645 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 645 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 645 G C 1.844 176.791 174.900 0.078 0.000 1.150 645 G CA 0.736 45.798 45.100 -0.062 0.000 0.776 645 G HN 0.471 nan 8.290 nan 0.000 0.542 646 F N 0.528 120.437 119.950 -0.068 0.000 2.102 646 F HA -0.077 4.449 4.527 -0.001 0.000 0.298 646 F C 2.913 178.635 175.800 -0.130 0.000 1.105 646 F CA 1.018 58.980 58.000 -0.063 0.000 1.239 646 F CB -0.181 38.815 39.000 -0.007 0.000 0.991 646 F HN 0.052 nan 8.300 nan 0.000 0.474 647 R N 0.715 121.225 120.500 0.017 0.000 2.112 647 R HA -0.234 4.106 4.340 -0.001 0.000 0.242 647 R C 2.314 178.527 176.300 -0.144 0.000 1.137 647 R CA 2.042 58.085 56.100 -0.095 0.000 0.944 647 R CB -0.267 29.915 30.300 -0.195 0.000 0.857 647 R HN 0.289 nan 8.270 nan 0.000 0.435 648 Q N 0.410 120.065 119.800 -0.243 0.000 2.020 648 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 648 Q C 2.191 178.137 176.000 -0.090 0.000 0.982 648 Q CA 1.795 57.479 55.803 -0.197 0.000 0.838 648 Q CB -0.475 28.118 28.738 -0.241 0.000 0.899 648 Q HN 0.576 nan 8.270 nan 0.000 0.423 649 Q N 0.246 120.021 119.800 -0.042 0.000 1.956 649 Q HA -0.155 4.184 4.340 -0.001 0.000 0.208 649 Q C 2.271 178.246 176.000 -0.042 0.000 0.998 649 Q CA 1.852 57.645 55.803 -0.017 0.000 0.855 649 Q CB -0.621 28.130 28.738 0.023 0.000 0.928 649 Q HN 0.236 nan 8.270 nan 0.000 0.418 650 V N 1.010 120.891 119.914 -0.055 0.000 2.380 650 V HA -0.243 3.876 4.120 -0.001 0.000 0.251 650 V C 2.137 178.200 176.094 -0.052 0.000 1.063 650 V CA 1.746 64.001 62.300 -0.074 0.000 1.055 650 V CB -0.377 31.378 31.823 -0.113 0.000 0.657 650 V HN 0.367 nan 8.190 nan 0.000 0.455 651 L N 0.380 121.566 121.223 -0.062 0.000 2.056 651 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 651 L C 2.324 179.156 176.870 -0.064 0.000 1.078 651 L CA 2.321 57.113 54.840 -0.079 0.000 0.749 651 L CB -0.735 41.273 42.059 -0.086 0.000 0.901 651 L HN 0.470 nan 8.230 nan 0.000 0.433 652 E N -1.073 119.098 120.200 -0.049 0.000 2.190 652 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 652 E C 1.434 178.026 176.600 -0.013 0.000 0.978 652 E CA 0.894 57.276 56.400 -0.029 0.000 0.839 652 E CB 0.031 29.715 29.700 -0.027 0.000 0.787 652 E HN 0.483 nan 8.360 nan 0.000 0.473 653 D N -0.405 119.986 120.400 -0.015 0.000 2.240 653 D HA -0.010 4.630 4.640 -0.001 0.000 0.206 653 D C 1.451 177.763 176.300 0.021 0.000 0.963 653 D CA 1.054 55.052 54.000 -0.002 0.000 0.863 653 D CB 0.223 41.010 40.800 -0.021 0.000 0.973 653 D HN 0.024 nan 8.370 nan 0.000 0.501 654 T N -0.255 114.310 114.554 0.018 0.000 3.151 654 T HA 0.236 4.586 4.350 -0.001 0.000 0.239 654 T C 2.125 176.844 174.700 0.032 0.000 0.979 654 T CA -0.162 61.978 62.100 0.067 0.000 1.194 654 T CB 0.372 69.290 68.868 0.084 0.000 0.982 654 T HN -0.045 nan 8.240 nan 0.000 0.428 655 I N 1.565 122.089 120.570 -0.076 0.000 2.094 655 I HA -0.172 3.998 4.170 -0.001 0.000 0.234 655 I C 2.860 178.953 176.117 -0.039 0.000 1.063 655 I CA 1.060 62.257 61.300 -0.172 0.000 1.328 655 I CB -0.468 37.316 38.000 -0.360 0.000 1.058 655 I HN 0.119 nan 8.210 nan 0.000 0.400 656 Q N 0.519 120.294 119.800 -0.041 0.000 2.142 656 Q HA -0.218 4.121 4.340 -0.001 0.000 0.213 656 Q C -0.266 175.749 176.000 0.025 0.000 1.004 656 Q CA 2.285 58.082 55.803 -0.009 0.000 0.883 656 Q CB -1.849 26.881 28.738 -0.014 0.000 0.939 656 Q HN 0.488 nan 8.270 nan 0.000 0.413 657 P HA -0.023 nan 4.420 nan 0.000 0.218 657 P C 0.817 178.172 177.300 0.091 0.000 1.152 657 P CA 1.686 64.823 63.100 0.062 0.000 0.826 657 P CB -0.081 31.658 31.700 0.065 0.000 0.790 658 A N -0.278 122.622 122.820 0.133 0.000 2.066 658 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 658 A C 2.185 179.862 177.584 0.155 0.000 1.157 658 A CA 0.817 52.973 52.037 0.200 0.000 0.670 658 A CB -1.067 18.154 19.000 0.370 0.000 0.804 658 A HN 0.022 nan 8.150 nan 0.000 0.453 659 I N 1.401 122.039 120.570 0.113 0.000 2.087 659 I HA -0.156 4.014 4.170 -0.001 0.000 0.231 659 I C 0.579 176.731 176.117 0.059 0.000 1.058 659 I CA 1.173 62.524 61.300 0.085 0.000 1.328 659 I CB -1.747 36.286 38.000 0.055 0.000 1.079 659 I HN 0.499 nan 8.210 nan 0.000 0.397 660 D N 0.963 121.391 120.400 0.047 0.000 2.542 660 D HA 0.058 4.697 4.640 -0.001 0.000 0.242 660 D C 0.710 177.038 176.300 0.047 0.000 1.207 660 D CA 0.563 54.588 54.000 0.041 0.000 1.172 660 D CB -0.181 40.643 40.800 0.039 0.000 1.126 660 D HN 0.425 nan 8.370 nan 0.000 0.500 661 S N -0.343 115.383 115.700 0.044 0.000 1.853 661 S HA 0.258 4.727 4.470 -0.001 0.000 0.218 661 S C 1.681 176.299 174.600 0.031 0.000 0.823 661 S CA -0.001 58.224 58.200 0.042 0.000 1.614 661 S CB -0.446 62.786 63.200 0.053 0.000 1.088 661 S HN 1.099 nan 8.310 nan 0.000 0.475 662 G N 2.329 111.146 108.800 0.028 0.000 2.317 662 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.227 662 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.227 662 G C 0.746 175.649 174.900 0.006 0.000 1.042 662 G CA 0.552 45.657 45.100 0.010 0.000 0.623 662 G HN 0.559 nan 8.290 nan 0.000 0.509 663 K N 1.059 121.471 120.400 0.020 0.000 2.442 663 K HA 0.332 4.652 4.320 -0.001 0.000 0.198 663 K C 1.388 178.011 176.600 0.040 0.000 1.044 663 K CA 1.107 57.401 56.287 0.012 0.000 0.948 663 K CB -0.117 32.393 32.500 0.015 0.000 0.762 663 K HN 0.914 nan 8.250 nan 0.000 0.472 664 G N 1.028 109.872 108.800 0.073 0.000 3.703 664 G HA2 0.361 4.321 3.960 -0.001 0.000 0.311 664 G HA3 0.361 4.321 3.960 -0.001 0.000 0.311 664 G C -0.502 174.400 174.900 0.003 0.000 1.430 664 G CA -0.584 44.568 45.100 0.086 0.000 0.785 664 G HN 0.198 nan 8.290 nan 0.000 0.491 665 L N 0.050 121.221 121.223 -0.087 0.000 2.960 665 L HA 0.652 4.992 4.340 -0.001 0.000 0.274 665 L C 0.058 176.837 176.870 -0.151 0.000 1.327 665 L CA -0.975 53.818 54.840 -0.078 0.000 0.860 665 L CB 0.432 42.462 42.059 -0.048 0.000 1.239 665 L HN 0.277 nan 8.230 nan 0.000 0.551 666 M N -3.285 116.134 119.600 -0.302 0.000 3.039 666 M HA 0.432 4.911 4.480 -0.001 0.000 0.442 666 M C -0.188 175.864 176.300 -0.414 0.000 1.408 666 M CA 0.115 55.219 55.300 -0.327 0.000 0.804 666 M CB -0.229 32.166 32.600 -0.343 0.000 1.471 666 M HN 0.032 nan 8.290 nan 0.000 0.516 667 F N 1.708 121.540 119.950 -0.198 0.000 2.746 667 F HA 0.279 4.806 4.527 -0.001 0.000 0.297 667 F C 0.774 176.476 175.800 -0.162 0.000 1.113 667 F CA 0.299 58.147 58.000 -0.254 0.000 1.367 667 F CB -0.142 38.670 39.000 -0.313 0.000 1.111 667 F HN 0.443 nan 8.300 nan 0.000 0.590 668 T N 0.730 115.306 114.554 0.037 0.000 2.587 668 T HA -0.313 4.037 4.350 -0.001 0.000 0.493 668 T C -0.168 174.545 174.700 0.021 0.000 0.797 668 T CA 0.687 62.792 62.100 0.008 0.000 2.583 668 T CB -1.721 67.137 68.868 -0.016 0.000 1.650 668 T HN 0.678 nan 8.240 nan 0.000 0.477 669 Q N 1.788 121.599 119.800 0.018 0.000 2.979 669 Q HA -0.124 4.216 4.340 -0.001 0.000 0.108 669 Q C -1.833 174.163 176.000 -0.007 0.000 1.574 669 Q CA 0.258 56.063 55.803 0.004 0.000 0.387 669 Q CB -0.169 28.570 28.738 0.001 0.000 0.612 669 Q HN 0.510 nan 8.270 nan 0.000 0.321 670 P HA -0.186 nan 4.420 nan 0.000 0.216 670 P C 0.007 177.252 177.300 -0.091 0.000 1.153 670 P CA 1.009 64.031 63.100 -0.130 0.000 0.848 670 P CB -0.035 31.591 31.700 -0.123 0.000 0.787 671 N N 0.610 119.285 118.700 -0.041 0.000 2.344 671 N HA -0.111 4.628 4.740 -0.001 0.000 0.236 671 N C 1.289 176.812 175.510 0.022 0.000 1.279 671 N CA 0.620 53.664 53.050 -0.009 0.000 0.882 671 N CB 0.088 38.576 38.487 0.000 0.000 1.110 671 N HN 0.274 nan 8.380 nan 0.000 0.436 672 Q N -0.348 119.485 119.800 0.056 0.000 2.905 672 Q HA -0.358 3.982 4.340 -0.001 0.000 0.188 672 Q C 0.898 176.999 176.000 0.168 0.000 2.676 672 Q CA 1.782 57.643 55.803 0.096 0.000 0.553 672 Q CB -1.536 27.239 28.738 0.062 0.000 0.513 672 Q HN 0.746 nan 8.270 nan 0.000 0.638 673 A N -0.332 122.563 122.820 0.126 0.000 2.067 673 A HA 0.390 4.710 4.320 -0.001 0.000 0.217 673 A C 1.914 179.726 177.584 0.380 0.000 1.156 673 A CA 1.672 53.837 52.037 0.214 0.000 0.683 673 A CB -0.371 18.613 19.000 -0.027 0.000 0.808 673 A HN 0.767 nan 8.150 nan 0.000 0.455 674 A N -0.881 122.038 122.820 0.164 0.000 1.973 674 A HA 0.379 4.698 4.320 -0.001 0.000 0.210 674 A C 2.284 179.929 177.584 0.102 0.000 1.200 674 A CA 1.210 53.324 52.037 0.128 0.000 0.707 674 A CB -1.064 17.932 19.000 -0.006 0.000 0.862 674 A HN 0.592 nan 8.150 nan 0.000 0.461 675 G N -1.073 107.790 108.800 0.105 0.000 2.442 675 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.219 675 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.219 675 G C 1.493 176.473 174.900 0.134 0.000 1.141 675 G CA 1.379 46.535 45.100 0.093 0.000 0.763 675 G HN 0.511 nan 8.290 nan 0.000 0.554 676 Y N 0.784 121.135 120.300 0.085 0.000 2.070 676 Y HA -0.176 4.373 4.550 -0.001 0.000 0.280 676 Y C 2.753 178.660 175.900 0.012 0.000 1.148 676 Y CA 2.279 60.432 58.100 0.089 0.000 1.125 676 Y CB -0.475 38.094 38.460 0.183 0.000 0.975 676 Y HN 0.215 nan 8.280 nan 0.000 0.492 677 M N 0.880 120.375 119.600 -0.174 0.000 2.106 677 M HA -0.178 4.302 4.480 -0.001 0.000 0.259 677 M C 2.262 178.402 176.300 -0.267 0.000 1.068 677 M CA 2.164 57.171 55.300 -0.487 0.000 1.100 677 M CB -1.212 30.969 32.600 -0.697 0.000 1.351 677 M HN 0.363 nan 8.290 nan 0.000 0.404 678 A N -0.594 122.175 122.820 -0.085 0.000 1.958 678 A HA -0.286 4.034 4.320 -0.001 0.000 0.221 678 A C 2.312 179.990 177.584 0.157 0.000 1.178 678 A CA 2.356 54.448 52.037 0.092 0.000 0.642 678 A CB -0.857 18.196 19.000 0.088 0.000 0.816 678 A HN 0.634 nan 8.150 nan 0.000 0.453 679 K N -0.651 119.760 120.400 0.019 0.000 2.228 679 K HA 0.125 4.444 4.320 -0.001 0.000 0.202 679 K C 1.779 178.412 176.600 0.055 0.000 1.051 679 K CA 0.625 56.947 56.287 0.060 0.000 0.960 679 K CB -0.184 32.317 32.500 0.001 0.000 0.743 679 K HN 0.533 nan 8.250 nan 0.000 0.458 680 L N 0.504 121.646 121.223 -0.135 0.000 2.072 680 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 680 L C 2.262 179.094 176.870 -0.063 0.000 1.079 680 L CA 0.962 55.708 54.840 -0.156 0.000 0.752 680 L CB -0.458 41.399 42.059 -0.336 0.000 0.906 680 L HN 0.149 nan 8.230 nan 0.000 0.436 681 I N -0.762 119.773 120.570 -0.058 0.000 2.208 681 I HA -0.342 3.828 4.170 -0.001 0.000 0.245 681 I C 2.529 178.723 176.117 0.128 0.000 1.097 681 I CA 1.645 62.910 61.300 -0.059 0.000 1.363 681 I CB -0.418 37.470 38.000 -0.187 0.000 1.051 681 I HN 0.529 nan 8.210 nan 0.000 0.413 682 W N 2.287 123.700 121.300 0.188 0.000 2.352 682 W HA -0.254 4.406 4.660 -0.001 0.000 0.322 682 W C 2.368 178.940 176.519 0.088 0.000 1.208 682 W CA 1.810 59.312 57.345 0.262 0.000 1.286 682 W CB -0.277 29.268 29.460 0.141 0.000 1.167 682 W HN 0.082 nan 8.180 nan 0.000 0.469 683 E N 0.560 120.839 120.200 0.131 0.000 2.048 683 E HA -0.227 4.122 4.350 -0.001 0.000 0.202 683 E C 2.374 178.908 176.600 -0.111 0.000 1.021 683 E CA 2.981 59.376 56.400 -0.009 0.000 0.825 683 E CB -0.699 29.029 29.700 0.047 0.000 0.756 683 E HN 0.077 nan 8.360 nan 0.000 0.454 684 S N -0.659 114.992 115.700 -0.081 0.000 2.370 684 S HA -0.163 4.307 4.470 -0.001 0.000 0.226 684 S C 2.061 176.578 174.600 -0.138 0.000 1.033 684 S CA 1.162 59.301 58.200 -0.101 0.000 1.011 684 S CB -0.400 62.745 63.200 -0.093 0.000 0.852 684 S HN 0.190 nan 8.310 nan 0.000 0.457 685 V N 2.208 122.026 119.914 -0.160 0.000 2.407 685 V HA -0.113 4.007 4.120 -0.001 0.000 0.245 685 V C 2.510 178.439 176.094 -0.275 0.000 1.041 685 V CA 1.971 64.160 62.300 -0.185 0.000 1.040 685 V CB -0.688 31.047 31.823 -0.146 0.000 0.671 685 V HN 0.691 nan 8.190 nan 0.000 0.455 686 S N 0.913 116.342 115.700 -0.451 0.000 2.383 686 S HA -0.162 4.307 4.470 -0.001 0.000 0.229 686 S C 1.726 176.145 174.600 -0.302 0.000 1.030 686 S CA 1.688 59.563 58.200 -0.541 0.000 1.002 686 S CB -1.008 61.690 63.200 -0.836 0.000 0.829 686 S HN 0.947 nan 8.310 nan 0.000 0.467 687 V N -1.139 118.638 119.914 -0.228 0.000 3.620 687 V HA 0.311 4.431 4.120 -0.001 0.000 0.286 687 V C 1.113 177.126 176.094 -0.135 0.000 1.288 687 V CA 0.831 63.040 62.300 -0.153 0.000 1.178 687 V CB -0.967 30.787 31.823 -0.115 0.000 0.986 687 V HN 0.485 nan 8.190 nan 0.000 0.431 688 T N -0.387 114.075 114.554 -0.153 0.000 3.174 688 T HA 0.282 4.632 4.350 -0.001 0.000 0.252 688 T C 0.608 175.225 174.700 -0.137 0.000 0.984 688 T CA 0.495 62.515 62.100 -0.133 0.000 1.113 688 T CB 0.542 69.332 68.868 -0.129 0.000 1.088 688 T HN 0.265 nan 8.240 nan 0.000 0.442 689 V N 3.416 123.238 119.914 -0.155 0.000 2.353 689 V HA 0.351 4.471 4.120 -0.001 0.000 0.264 689 V C 0.623 176.618 176.094 -0.166 0.000 1.049 689 V CA -0.184 62.026 62.300 -0.150 0.000 0.896 689 V CB 0.797 32.535 31.823 -0.141 0.000 1.025 689 V HN 0.176 nan 8.190 nan 0.000 0.475 690 V N 3.790 123.613 119.914 -0.152 0.000 3.050 690 V HA 0.125 4.244 4.120 -0.001 0.000 0.223 690 V C 2.337 178.334 176.094 -0.162 0.000 1.162 690 V CA 1.233 63.445 62.300 -0.146 0.000 1.247 690 V CB -0.581 31.170 31.823 -0.120 0.000 1.125 690 V HN 0.761 nan 8.190 nan 0.000 0.508 691 A N 0.592 123.318 122.820 -0.155 0.000 1.903 691 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 691 A C 2.336 179.754 177.584 -0.277 0.000 1.191 691 A CA 2.995 54.927 52.037 -0.175 0.000 0.638 691 A CB -1.084 17.827 19.000 -0.148 0.000 0.823 691 A HN 0.737 nan 8.150 nan 0.000 0.451 692 A N -0.635 121.988 122.820 -0.329 0.000 1.852 692 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 692 A C 2.241 179.428 177.584 -0.662 0.000 1.215 692 A CA 2.435 54.085 52.037 -0.645 0.000 0.641 692 A CB -1.387 17.393 19.000 -0.366 0.000 0.838 692 A HN 0.639 nan 8.150 nan 0.000 0.450 693 V N 0.363 120.067 119.914 -0.351 0.000 2.278 693 V HA -0.360 3.760 4.120 -0.001 0.000 0.251 693 V C 2.618 178.606 176.094 -0.178 0.000 1.062 693 V CA 2.679 64.850 62.300 -0.216 0.000 1.038 693 V CB -0.923 30.819 31.823 -0.136 0.000 0.646 693 V HN 0.826 nan 8.190 nan 0.000 0.447 694 E N 0.260 120.359 120.200 -0.167 0.000 2.085 694 E HA -0.267 4.083 4.350 -0.001 0.000 0.194 694 E C 2.168 178.724 176.600 -0.074 0.000 0.994 694 E CA 1.609 57.953 56.400 -0.093 0.000 0.801 694 E CB -0.268 29.377 29.700 -0.093 0.000 0.743 694 E HN 0.584 nan 8.360 nan 0.000 0.453 695 A N 1.233 123.925 122.820 -0.212 0.000 1.969 695 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 695 A C 2.203 179.757 177.584 -0.050 0.000 1.169 695 A CA 1.432 53.366 52.037 -0.172 0.000 0.635 695 A CB -0.577 18.217 19.000 -0.344 0.000 0.810 695 A HN 0.521 nan 8.150 nan 0.000 0.445 696 M N 0.154 119.635 119.600 -0.199 0.000 2.077 696 M HA -0.195 4.284 4.480 -0.001 0.000 0.261 696 M C 1.589 177.942 176.300 0.088 0.000 1.070 696 M CA 2.318 57.623 55.300 0.008 0.000 1.125 696 M CB -0.506 32.088 32.600 -0.011 0.000 1.339 696 M HN 0.542 nan 8.290 nan 0.000 0.409 697 N N -0.853 117.883 118.700 0.060 0.000 2.364 697 N HA -0.212 4.528 4.740 -0.001 0.000 0.183 697 N C 1.303 176.878 175.510 0.108 0.000 1.022 697 N CA 1.391 54.483 53.050 0.071 0.000 0.883 697 N CB -0.240 38.278 38.487 0.052 0.000 0.965 697 N HN 0.558 nan 8.380 nan 0.000 0.438 698 W N 1.333 122.621 121.300 -0.019 0.000 2.418 698 W HA 0.073 4.733 4.660 -0.001 0.000 0.292 698 W C 1.389 177.930 176.519 0.036 0.000 1.213 698 W CA 0.646 57.999 57.345 0.014 0.000 1.283 698 W CB -0.045 29.420 29.460 0.007 0.000 1.119 698 W HN -0.047 nan 8.180 nan 0.000 0.542 699 L N 0.568 121.947 121.223 0.261 0.000 2.131 699 L HA -0.113 4.227 4.340 -0.001 0.000 0.206 699 L C 2.467 179.310 176.870 -0.045 0.000 1.087 699 L CA 1.214 56.111 54.840 0.096 0.000 0.767 699 L CB -0.732 41.357 42.059 0.051 0.000 0.917 699 L HN -0.167 nan 8.230 nan 0.000 0.441 700 K N -0.406 119.987 120.400 -0.011 0.000 2.097 700 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 700 K C 2.316 178.861 176.600 -0.093 0.000 1.050 700 K CA 1.407 57.678 56.287 -0.027 0.000 0.938 700 K CB -0.115 32.386 32.500 0.003 0.000 0.718 700 K HN 0.156 nan 8.250 nan 0.000 0.442 701 S N 0.976 116.590 115.700 -0.144 0.000 2.368 701 S HA -0.140 4.329 4.470 -0.001 0.000 0.225 701 S C 2.115 176.558 174.600 -0.262 0.000 1.030 701 S CA 1.254 59.349 58.200 -0.175 0.000 0.999 701 S CB -0.165 62.919 63.200 -0.192 0.000 0.844 701 S HN 0.429 nan 8.310 nan 0.000 0.459 702 A N 1.465 124.010 122.820 -0.459 0.000 1.898 702 A HA 0.140 4.459 4.320 -0.001 0.000 0.216 702 A C 2.329 179.613 177.584 -0.500 0.000 1.181 702 A CA 1.666 53.268 52.037 -0.725 0.000 0.620 702 A CB -1.008 17.261 19.000 -1.218 0.000 0.819 702 A HN 0.507 nan 8.150 nan 0.000 0.442 703 A N -0.144 122.525 122.820 -0.253 0.000 1.873 703 A HA -0.131 4.189 4.320 -0.001 0.000 0.215 703 A C 2.122 179.668 177.584 -0.063 0.000 1.186 703 A CA 1.967 53.950 52.037 -0.089 0.000 0.616 703 A CB -0.485 18.532 19.000 0.028 0.000 0.823 703 A HN 0.553 nan 8.150 nan 0.000 0.442 704 K N -0.175 120.184 120.400 -0.069 0.000 1.991 704 K HA -0.133 4.186 4.320 -0.001 0.000 0.212 704 K C 1.940 178.523 176.600 -0.028 0.000 1.049 704 K CA 1.719 57.983 56.287 -0.038 0.000 0.932 704 K CB -0.407 32.067 32.500 -0.043 0.000 0.717 704 K HN 0.449 nan 8.250 nan 0.000 0.441 705 L N 0.892 122.089 121.223 -0.044 0.000 1.989 705 L HA -0.240 4.099 4.340 -0.001 0.000 0.211 705 L C 2.530 179.422 176.870 0.037 0.000 1.071 705 L CA 1.357 56.209 54.840 0.020 0.000 0.749 705 L CB -0.519 41.604 42.059 0.107 0.000 0.890 705 L HN 0.300 nan 8.230 nan 0.000 0.431 706 L N -0.608 120.598 121.223 -0.028 0.000 2.141 706 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 706 L C 2.823 179.707 176.870 0.024 0.000 1.094 706 L CA 0.977 55.815 54.840 -0.004 0.000 0.763 706 L CB -0.681 41.319 42.059 -0.099 0.000 0.908 706 L HN 0.247 nan 8.230 nan 0.000 0.437 707 A N 0.302 123.134 122.820 0.019 0.000 1.929 707 A HA 0.113 4.433 4.320 -0.001 0.000 0.216 707 A C 1.568 179.175 177.584 0.038 0.000 1.176 707 A CA 0.785 52.848 52.037 0.044 0.000 0.628 707 A CB -0.533 18.501 19.000 0.055 0.000 0.816 707 A HN 0.325 nan 8.150 nan 0.000 0.444 708 A N -0.058 122.779 122.820 0.029 0.000 2.536 708 A HA 0.289 4.608 4.320 -0.001 0.000 0.234 708 A C 0.345 177.945 177.584 0.026 0.000 1.076 708 A CA 0.547 52.599 52.037 0.025 0.000 0.769 708 A CB -0.023 18.989 19.000 0.020 0.000 1.020 708 A HN 0.503 nan 8.150 nan 0.000 0.508 709 E N 1.003 121.215 120.200 0.019 0.000 2.437 709 E HA 0.433 4.783 4.350 -0.001 0.000 0.238 709 E C -0.803 175.802 176.600 0.010 0.000 0.969 709 E CA -0.663 55.747 56.400 0.016 0.000 0.759 709 E CB 0.806 30.516 29.700 0.015 0.000 1.283 709 E HN 0.665 nan 8.360 nan 0.000 0.416 710 V N 1.818 121.736 119.914 0.007 0.000 2.555 710 V HA 0.436 4.556 4.120 -0.001 0.000 0.286 710 V C -0.338 175.755 176.094 -0.001 0.000 1.044 710 V CA -0.397 61.903 62.300 -0.000 0.000 1.026 710 V CB 0.632 32.450 31.823 -0.008 0.000 0.981 710 V HN 0.466 nan 8.190 nan 0.000 0.480 711 K N 2.759 123.158 120.400 -0.002 0.000 2.375 711 K HA 0.425 4.745 4.320 -0.001 0.000 0.249 711 K C -0.751 175.846 176.600 -0.004 0.000 0.942 711 K CA -0.841 55.445 56.287 -0.002 0.000 0.806 711 K CB 1.982 34.482 32.500 -0.001 0.000 1.227 711 K HN 0.777 nan 8.250 nan 0.000 0.430 712 D N 2.038 122.436 120.400 -0.004 0.000 2.488 712 D HA -0.053 4.587 4.640 -0.001 0.000 0.238 712 D C 0.557 176.854 176.300 -0.004 0.000 1.138 712 D CA 0.338 54.335 54.000 -0.005 0.000 0.873 712 D CB 0.936 41.733 40.800 -0.004 0.000 1.183 712 D HN 0.344 nan 8.370 nan 0.000 0.458 713 K N 3.297 123.694 120.400 -0.005 0.000 2.057 713 K HA -0.118 4.202 4.320 -0.001 0.000 0.207 713 K C 1.544 178.142 176.600 -0.003 0.000 1.049 713 K CA 1.108 57.392 56.287 -0.004 0.000 0.931 713 K CB 0.039 32.536 32.500 -0.005 0.000 0.714 713 K HN 0.406 nan 8.250 nan 0.000 0.440 714 K N -0.164 120.234 120.400 -0.003 0.000 2.314 714 K HA 0.002 4.322 4.320 -0.001 0.000 0.198 714 K C 1.497 178.095 176.600 -0.002 0.000 1.045 714 K CA 0.894 57.179 56.287 -0.003 0.000 0.988 714 K CB 0.335 32.833 32.500 -0.003 0.000 0.783 714 K HN 0.302 nan 8.250 nan 0.000 0.484 715 T N -2.100 112.452 114.554 -0.002 0.000 3.714 715 T HA 0.168 4.517 4.350 -0.001 0.000 0.309 715 T C 0.685 175.384 174.700 -0.002 0.000 0.958 715 T CA 0.269 62.368 62.100 -0.002 0.000 1.010 715 T CB -0.284 68.583 68.868 -0.002 0.000 1.202 715 T HN 0.212 nan 8.240 nan 0.000 0.476 716 G N 3.086 111.884 108.800 -0.002 0.000 2.176 716 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.273 716 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.273 716 G C 0.147 175.046 174.900 -0.001 0.000 0.730 716 G CA 1.067 46.166 45.100 -0.002 0.000 0.879 716 G HN 1.049 nan 8.290 nan 0.000 0.454 717 E N -0.569 119.630 120.200 -0.002 0.000 2.371 717 E HA 0.401 4.750 4.350 -0.001 0.000 0.257 717 E C 0.342 176.942 176.600 -0.001 0.000 1.134 717 E CA -1.162 55.237 56.400 -0.001 0.000 0.919 717 E CB 0.902 30.602 29.700 -0.001 0.000 1.025 717 E HN 0.240 nan 8.360 nan 0.000 0.438 718 I N 3.171 123.741 120.570 0.000 0.000 2.581 718 I HA -0.096 4.073 4.170 -0.001 0.000 0.285 718 I C 1.001 177.118 176.117 0.001 0.000 1.129 718 I CA 0.075 61.376 61.300 0.001 0.000 1.397 718 I CB 0.241 38.243 38.000 0.003 0.000 1.399 718 I HN 0.613 nan 8.210 nan 0.000 0.537 719 L N 5.584 126.807 121.223 -0.000 0.000 2.249 719 L HA 0.131 4.471 4.340 -0.001 0.000 0.207 719 L C 1.123 177.993 176.870 0.001 0.000 1.090 719 L CA 0.695 55.534 54.840 -0.001 0.000 0.802 719 L CB -0.153 41.903 42.059 -0.005 0.000 0.947 719 L HN 0.549 nan 8.230 nan 0.000 0.453 720 R N 0.756 121.259 120.500 0.004 0.000 2.564 720 R HA 0.312 4.651 4.340 -0.001 0.000 0.284 720 R C -1.294 175.014 176.300 0.014 0.000 1.031 720 R CA -0.710 55.396 56.100 0.011 0.000 0.904 720 R CB 2.058 32.365 30.300 0.013 0.000 1.199 720 R HN -0.220 nan 8.270 nan 0.000 0.443 721 K N 2.289 122.699 120.400 0.017 0.000 2.098 721 K HA 0.358 4.677 4.320 -0.001 0.000 0.261 721 K C -0.193 176.422 176.600 0.024 0.000 0.987 721 K CA -0.360 55.937 56.287 0.017 0.000 0.916 721 K CB 0.749 33.256 32.500 0.011 0.000 1.039 721 K HN 0.455 nan 8.250 nan 0.000 0.455 722 R N 1.060 121.575 120.500 0.025 0.000 2.740 722 R HA 0.085 4.425 4.340 -0.001 0.000 0.263 722 R C -0.370 175.951 176.300 0.036 0.000 0.997 722 R CA 0.481 56.601 56.100 0.033 0.000 1.108 722 R CB -0.379 29.941 30.300 0.034 0.000 0.969 722 R HN 0.851 nan 8.270 nan 0.000 0.431 723 C N -1.429 117.899 119.300 0.046 0.000 3.241 723 C HA 0.667 5.126 4.460 -0.001 0.000 0.348 723 C C 0.129 175.161 174.990 0.070 0.000 1.180 723 C CA -1.480 57.568 59.018 0.051 0.000 1.273 723 C CB 0.717 28.490 27.740 0.054 0.000 1.620 723 C HN 0.968 nan 8.230 nan 0.000 0.510 724 A N 1.573 124.442 122.820 0.081 0.000 2.507 724 A HA 0.544 4.863 4.320 -0.001 0.000 0.235 724 A C 0.439 178.128 177.584 0.175 0.000 1.070 724 A CA 0.376 52.485 52.037 0.120 0.000 0.768 724 A CB -0.120 18.948 19.000 0.113 0.000 1.011 724 A HN 2.274 nan 8.150 nan 0.000 0.502 725 V N 0.648 120.705 119.914 0.238 0.000 2.465 725 V HA 0.529 4.648 4.120 -0.001 0.000 0.279 725 V C 0.115 176.501 176.094 0.486 0.000 1.045 725 V CA -0.482 62.020 62.300 0.338 0.000 0.938 725 V CB 0.809 32.903 31.823 0.452 0.000 0.986 725 V HN 0.948 nan 8.190 nan 0.000 0.467 726 H N 4.687 123.979 119.070 0.371 0.000 2.572 726 H HA 0.697 5.252 4.556 -0.001 0.000 0.359 726 H C -1.549 174.060 175.328 0.469 0.000 1.134 726 H CA -0.787 55.366 56.048 0.176 0.000 1.187 726 H CB 2.205 32.016 29.762 0.082 0.000 1.597 726 H HN 0.984 nan 8.280 nan 0.000 0.524 727 W N 3.425 124.580 121.300 -0.241 0.000 3.248 727 W HA 0.499 5.159 4.660 -0.001 0.000 0.311 727 W C -2.531 173.800 176.519 -0.313 0.000 1.258 727 W CA -0.862 56.419 57.345 -0.107 0.000 1.191 727 W CB 0.170 29.858 29.460 0.380 0.000 1.389 727 W HN 0.272 nan 8.180 nan 0.000 0.561 728 V N 3.024 122.974 119.914 0.059 0.000 2.417 728 V HA 0.567 4.687 4.120 -0.001 0.000 0.291 728 V C 0.594 176.784 176.094 0.160 0.000 1.024 728 V CA -0.444 61.833 62.300 -0.039 0.000 0.861 728 V CB 1.186 32.974 31.823 -0.059 0.000 0.985 728 V HN 0.713 nan 8.190 nan 0.000 0.436 729 T N 2.603 117.234 114.554 0.128 0.000 2.898 729 T HA 0.231 4.580 4.350 -0.001 0.000 0.301 729 T C -1.701 173.035 174.700 0.059 0.000 1.049 729 T CA -1.399 60.770 62.100 0.115 0.000 1.095 729 T CB 1.107 70.055 68.868 0.134 0.000 0.976 729 T HN 0.424 nan 8.240 nan 0.000 0.539 730 P HA -0.153 nan 4.420 nan 0.000 0.217 730 P C 1.043 178.353 177.300 0.016 0.000 1.151 730 P CA 1.381 64.474 63.100 -0.011 0.000 0.849 730 P CB -0.084 31.561 31.700 -0.091 0.000 0.787 731 D N -2.157 118.257 120.400 0.022 0.000 2.336 731 D HA 0.085 4.725 4.640 -0.001 0.000 0.229 731 D C 1.264 177.586 176.300 0.038 0.000 1.061 731 D CA 0.539 54.556 54.000 0.027 0.000 0.875 731 D CB -0.950 39.856 40.800 0.009 0.000 0.904 731 D HN 0.239 nan 8.370 nan 0.000 0.525 732 G N -0.307 108.526 108.800 0.054 0.000 2.159 732 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.227 732 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.227 732 G C -0.257 174.685 174.900 0.070 0.000 0.986 732 G CA -0.118 45.012 45.100 0.049 0.000 0.651 732 G HN 0.375 nan 8.290 nan 0.000 0.523 733 F N 4.138 124.054 119.950 -0.056 0.000 2.390 733 F HA 0.554 5.080 4.527 -0.001 0.000 0.361 733 F C -1.683 174.061 175.800 -0.093 0.000 1.124 733 F CA -2.720 55.242 58.000 -0.065 0.000 1.149 733 F CB 1.318 40.254 39.000 -0.105 0.000 1.160 733 F HN -0.013 nan 8.300 nan 0.000 0.501 734 P HA 0.134 nan 4.420 nan 0.000 0.276 734 P C -1.178 175.449 177.300 -1.122 0.000 1.235 734 P CA 0.009 62.588 63.100 -0.869 0.000 0.772 734 P CB 1.824 33.041 31.700 -0.805 0.000 0.871 735 V N 4.411 123.679 119.914 -1.076 0.000 2.628 735 V HA 0.419 4.538 4.120 -0.001 0.000 0.306 735 V C -0.343 175.213 176.094 -0.897 0.000 1.045 735 V CA -0.394 61.390 62.300 -0.860 0.000 0.905 735 V CB 2.425 33.494 31.823 -1.257 0.000 0.997 735 V HN 0.615 nan 8.190 nan 0.000 0.436 736 W N 3.665 124.857 121.300 -0.179 0.000 2.453 736 W HA 0.428 5.087 4.660 -0.001 0.000 0.310 736 W C -0.225 176.149 176.519 -0.241 0.000 1.000 736 W CA -0.623 56.605 57.345 -0.195 0.000 1.367 736 W CB 1.674 30.961 29.460 -0.288 0.000 1.269 736 W HN 0.562 nan 8.180 nan 0.000 0.418 737 Q N 3.575 123.383 119.800 0.014 0.000 2.398 737 Q HA 0.196 4.535 4.340 -0.001 0.000 0.251 737 Q C -0.131 175.822 176.000 -0.079 0.000 0.999 737 Q CA 0.245 55.994 55.803 -0.089 0.000 0.874 737 Q CB 0.816 29.731 28.738 0.296 0.000 1.215 737 Q HN 0.609 nan 8.270 nan 0.000 0.470 738 E N 3.635 123.680 120.200 -0.259 0.000 2.923 738 E HA 0.174 4.524 4.350 -0.001 0.000 0.266 738 E C -1.371 175.150 176.600 -0.132 0.000 1.157 738 E CA -0.629 55.707 56.400 -0.107 0.000 0.795 738 E CB 0.229 29.894 29.700 -0.058 0.000 1.454 738 E HN 0.368 nan 8.360 nan 0.000 0.386 739 Y N 1.639 121.947 120.300 0.012 0.000 2.426 739 Y HA 0.256 4.805 4.550 -0.001 0.000 0.344 739 Y C 0.734 176.642 175.900 0.015 0.000 1.256 739 Y CA 0.014 58.125 58.100 0.017 0.000 1.451 739 Y CB 0.694 39.196 38.460 0.069 0.000 1.342 739 Y HN 0.239 nan 8.280 nan 0.000 0.600 740 K N 1.493 122.004 120.400 0.186 0.000 2.464 740 K HA 0.309 4.629 4.320 -0.001 0.000 0.253 740 K C -1.089 175.552 176.600 0.069 0.000 0.933 740 K CA -1.030 55.313 56.287 0.094 0.000 0.801 740 K CB 2.302 34.830 32.500 0.047 0.000 1.271 740 K HN 0.540 nan 8.250 nan 0.000 0.430 741 K N 2.453 122.880 120.400 0.044 0.000 2.339 741 K HA 0.194 4.514 4.320 -0.001 0.000 0.286 741 K C -2.343 174.259 176.600 0.003 0.000 1.050 741 K CA -1.631 54.666 56.287 0.017 0.000 0.956 741 K CB 0.247 32.752 32.500 0.009 0.000 0.990 741 K HN 0.163 nan 8.250 nan 0.000 0.475 742 P HA -0.160 nan 4.420 nan 0.000 0.257 742 P C 0.324 177.612 177.300 -0.021 0.000 1.153 742 P CA 0.200 63.289 63.100 -0.018 0.000 0.762 742 P CB 0.214 31.895 31.700 -0.032 0.000 0.743 743 I N 2.193 122.753 120.570 -0.017 0.000 2.133 743 I HA -0.164 4.006 4.170 -0.001 0.000 0.238 743 I C 0.919 177.020 176.117 -0.026 0.000 1.074 743 I CA 1.188 62.478 61.300 -0.017 0.000 1.342 743 I CB -1.596 36.397 38.000 -0.012 0.000 1.053 743 I HN 0.317 nan 8.210 nan 0.000 0.404 744 Q N 2.312 122.093 119.800 -0.032 0.000 2.361 744 Q HA 0.282 4.622 4.340 -0.001 0.000 0.250 744 Q C -0.396 175.562 176.000 -0.070 0.000 1.023 744 Q CA -0.292 55.484 55.803 -0.045 0.000 0.915 744 Q CB 0.396 29.110 28.738 -0.040 0.000 1.238 744 Q HN 0.325 nan 8.270 nan 0.000 0.451 745 T N 3.108 117.616 114.554 -0.077 0.000 2.933 745 T HA 0.021 4.370 4.350 -0.001 0.000 0.306 745 T C 0.306 174.913 174.700 -0.154 0.000 1.045 745 T CA 0.146 62.187 62.100 -0.099 0.000 1.143 745 T CB 0.280 69.093 68.868 -0.092 0.000 1.003 745 T HN 0.321 nan 8.240 nan 0.000 0.540 746 R N 1.650 122.051 120.500 -0.165 0.000 2.573 746 R HA 0.740 5.079 4.340 -0.001 0.000 0.272 746 R C -0.407 175.716 176.300 -0.296 0.000 1.009 746 R CA -0.809 55.145 56.100 -0.243 0.000 1.059 746 R CB 0.634 30.832 30.300 -0.170 0.000 1.112 746 R HN 0.651 nan 8.270 nan 0.000 0.517 747 L N -0.718 120.224 121.223 -0.470 0.000 2.482 747 L HA 0.636 4.975 4.340 -0.001 0.000 0.269 747 L C -1.160 175.499 176.870 -0.350 0.000 0.967 747 L CA -1.220 53.365 54.840 -0.424 0.000 0.851 747 L CB 2.029 43.776 42.059 -0.520 0.000 1.242 747 L HN 0.342 nan 8.230 nan 0.000 0.404 748 N N 2.935 121.552 118.700 -0.139 0.000 2.381 748 N HA 0.584 5.323 4.740 -0.001 0.000 0.254 748 N C 0.176 175.713 175.510 0.045 0.000 1.264 748 N CA -0.457 52.584 53.050 -0.014 0.000 0.942 748 N CB 1.241 39.737 38.487 0.014 0.000 1.190 748 N HN 0.735 nan 8.380 nan 0.000 0.495 749 L N 0.553 121.834 121.223 0.098 0.000 3.410 749 L HA 0.218 4.558 4.340 -0.001 0.000 0.309 749 L C -0.109 176.735 176.870 -0.044 0.000 1.254 749 L CA -0.027 54.859 54.840 0.077 0.000 1.048 749 L CB -0.015 42.179 42.059 0.225 0.000 1.442 749 L HN 0.483 nan 8.230 nan 0.000 0.615 750 M N -1.813 117.756 119.600 -0.052 0.000 2.781 750 M HA -0.350 4.130 4.480 -0.001 0.000 0.138 750 M C 0.915 177.133 176.300 -0.136 0.000 0.709 750 M CA 2.294 57.481 55.300 -0.188 0.000 0.527 750 M CB -1.510 30.781 32.600 -0.516 0.000 1.956 750 M HN 0.153 nan 8.290 nan 0.000 0.254 751 F N -1.596 118.428 119.950 0.123 0.000 2.387 751 F HA 0.352 4.880 4.527 0.001 0.000 0.278 751 F C 1.899 177.787 175.800 0.146 0.000 1.010 751 F CA 0.599 58.662 58.000 0.106 0.000 1.236 751 F CB -1.048 38.018 39.000 0.110 0.000 1.137 751 F HN 0.050 nan 8.300 nan 0.000 0.604 752 L N -0.045 121.405 121.223 0.379 0.000 2.450 752 L HA 0.172 4.511 4.340 -0.001 0.000 0.224 752 L C 1.344 178.428 176.870 0.356 0.000 1.149 752 L CA 1.356 56.395 54.840 0.332 0.000 0.816 752 L CB -1.420 40.769 42.059 0.217 0.000 0.932 752 L HN 0.432 nan 8.230 nan 0.000 0.449 753 G N -1.337 107.635 108.800 0.287 0.000 2.341 753 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.196 753 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.196 753 G C -0.988 174.049 174.900 0.228 0.000 1.231 753 G CA -0.150 45.094 45.100 0.239 0.000 1.155 753 G HN 0.195 nan 8.290 nan 0.000 0.529 754 Q N -0.310 119.611 119.800 0.201 0.000 2.359 754 Q HA 0.692 5.031 4.340 -0.001 0.000 0.274 754 Q C -1.568 174.517 176.000 0.141 0.000 1.074 754 Q CA -1.026 54.860 55.803 0.138 0.000 0.810 754 Q CB 2.001 30.767 28.738 0.047 0.000 1.342 754 Q HN 1.398 nan 8.270 nan 0.000 0.427 755 F N 0.000 119.772 119.950 -0.297 0.000 2.608 755 F HA 0.692 5.219 4.527 -0.001 0.000 0.309 755 F C -1.127 174.541 175.800 -0.221 0.000 1.103 755 F CA -1.161 56.637 58.000 -0.337 0.000 0.954 755 F CB 0.873 39.414 39.000 -0.765 0.000 1.267 755 F HN 0.477 nan 8.300 nan 0.000 0.444 756 R N 1.619 122.039 120.500 -0.133 0.000 2.527 756 R HA 0.886 5.226 4.340 -0.001 0.000 0.236 756 R C -1.365 174.861 176.300 -0.123 0.000 1.257 756 R CA -0.980 55.019 56.100 -0.168 0.000 1.088 756 R CB 0.413 30.672 30.300 -0.069 0.000 1.396 756 R HN 0.896 nan 8.270 nan 0.000 0.571 757 L N -0.168 121.007 121.223 -0.080 0.000 3.206 757 L HA 0.101 4.441 4.340 -0.001 0.000 0.260 757 L C -1.544 175.311 176.870 -0.025 0.000 0.959 757 L CA -0.774 54.049 54.840 -0.029 0.000 1.061 757 L CB 1.852 43.885 42.059 -0.044 0.000 1.760 757 L HN 0.513 nan 8.230 nan 0.000 0.495 758 Q N 5.064 124.863 119.800 -0.001 0.000 2.398 758 Q HA 0.103 4.442 4.340 -0.001 0.000 0.329 758 Q C -2.246 173.749 176.000 -0.009 0.000 1.079 758 Q CA 0.016 55.818 55.803 -0.002 0.000 1.041 758 Q CB 0.494 29.238 28.738 0.009 0.000 1.084 758 Q HN 0.222 nan 8.270 nan 0.000 0.386 759 P HA -0.098 nan 4.420 nan 0.000 0.264 759 P C 0.205 177.500 177.300 -0.008 0.000 1.179 759 P CA 0.512 63.603 63.100 -0.016 0.000 0.763 759 P CB 0.661 32.353 31.700 -0.014 0.000 0.806 760 T N 0.536 115.084 114.554 -0.010 0.000 2.735 760 T HA 0.007 4.357 4.350 -0.001 0.000 0.256 760 T C 0.912 175.612 174.700 -0.001 0.000 1.042 760 T CA 0.560 62.659 62.100 -0.003 0.000 1.147 760 T CB -0.652 68.213 68.868 -0.005 0.000 0.865 760 T HN 0.231 nan 8.240 nan 0.000 0.421 761 I N 3.015 123.582 120.570 -0.004 0.000 2.436 761 I HA 0.134 4.304 4.170 -0.001 0.000 0.289 761 I C 0.015 176.131 176.117 -0.002 0.000 1.083 761 I CA -0.322 60.977 61.300 -0.003 0.000 1.372 761 I CB -0.018 37.979 38.000 -0.005 0.000 1.408 761 I HN 0.292 nan 8.210 nan 0.000 0.516 762 N N 6.056 124.756 118.700 0.000 0.000 2.383 762 N HA 0.052 4.792 4.740 -0.001 0.000 0.295 762 N C -0.875 174.634 175.510 -0.001 0.000 1.281 762 N CA 0.282 53.332 53.050 0.000 0.000 1.048 762 N CB 0.093 38.582 38.487 0.002 0.000 1.455 762 N HN 0.599 nan 8.380 nan 0.000 0.488 763 T N 1.599 116.151 114.554 -0.003 0.000 3.933 763 T HA 0.246 4.595 4.350 -0.001 0.000 0.357 763 T C -0.625 174.072 174.700 -0.005 0.000 1.077 763 T CA -0.805 61.292 62.100 -0.004 0.000 1.082 763 T CB 0.760 69.626 68.868 -0.004 0.000 1.158 763 T HN 0.440 nan 8.240 nan 0.000 0.472 764 N N 1.399 120.096 118.700 -0.005 0.000 3.409 764 N HA -0.016 4.724 4.740 -0.001 0.000 0.152 764 N C 0.985 176.491 175.510 -0.007 0.000 1.074 764 N CA -0.320 52.727 53.050 -0.006 0.000 2.735 764 N CB 0.159 38.642 38.487 -0.007 0.000 1.246 764 N HN 0.429 nan 8.380 nan 0.000 0.773 765 K N 0.575 120.971 120.400 -0.007 0.000 2.015 765 K HA -0.195 4.125 4.320 -0.001 0.000 0.220 765 K C 0.610 177.202 176.600 -0.013 0.000 1.055 765 K CA 2.065 58.347 56.287 -0.009 0.000 0.951 765 K CB 0.108 32.602 32.500 -0.009 0.000 0.725 765 K HN 0.143 nan 8.250 nan 0.000 0.449 766 D N -1.722 118.671 120.400 -0.013 0.000 2.320 766 D HA -0.004 4.636 4.640 -0.001 0.000 0.228 766 D C 1.329 177.621 176.300 -0.014 0.000 0.978 766 D CA 1.066 55.056 54.000 -0.018 0.000 0.905 766 D CB 0.499 41.288 40.800 -0.019 0.000 1.051 766 D HN 0.171 nan 8.370 nan 0.000 0.471 767 S N -1.134 114.561 115.700 -0.008 0.000 4.424 767 S HA -0.120 4.350 4.470 -0.001 0.000 0.062 767 S C -1.078 173.524 174.600 0.003 0.000 0.840 767 S CA 0.715 58.913 58.200 -0.004 0.000 1.089 767 S CB -0.723 62.474 63.200 -0.004 0.000 0.540 767 S HN 0.346 nan 8.310 nan 0.000 0.778 768 E N 1.232 121.436 120.200 0.006 0.000 7.438 768 E HA -0.139 4.211 4.350 -0.001 0.000 0.230 768 E C -0.775 175.843 176.600 0.030 0.000 0.890 768 E CA 0.606 57.015 56.400 0.015 0.000 1.606 768 E CB -1.241 28.465 29.700 0.010 0.000 0.905 768 E HN 0.623 nan 8.360 nan 0.000 0.266 769 I N 3.739 124.332 120.570 0.038 0.000 2.710 769 I HA -0.029 4.140 4.170 -0.001 0.000 0.286 769 I C 1.024 177.191 176.117 0.082 0.000 1.181 769 I CA 0.428 61.767 61.300 0.065 0.000 1.430 769 I CB 0.328 38.366 38.000 0.063 0.000 1.367 769 I HN 0.419 nan 8.210 nan 0.000 0.577 770 D N 6.599 127.073 120.400 0.123 0.000 2.453 770 D HA 0.178 4.817 4.640 -0.001 0.000 0.223 770 D C 0.895 177.282 176.300 0.146 0.000 1.183 770 D CA -0.123 53.950 54.000 0.121 0.000 0.933 770 D CB 1.203 42.075 40.800 0.119 0.000 1.038 770 D HN 0.663 nan 8.370 nan 0.000 0.513 771 A N 4.104 126.993 122.820 0.115 0.000 2.131 771 A HA -0.228 4.092 4.320 -0.001 0.000 0.220 771 A C 1.897 179.547 177.584 0.111 0.000 1.158 771 A CA 1.118 53.217 52.037 0.103 0.000 0.665 771 A CB -0.500 18.543 19.000 0.071 0.000 0.795 771 A HN 0.742 nan 8.150 nan 0.000 0.460 772 H N -0.134 118.951 119.070 0.026 0.000 2.306 772 H HA 0.088 4.643 4.556 -0.001 0.000 0.307 772 H C 1.796 177.117 175.328 -0.012 0.000 1.061 772 H CA 1.634 57.685 56.048 0.005 0.000 1.359 772 H CB -0.153 29.600 29.762 -0.014 0.000 1.407 772 H HN 0.450 nan 8.280 nan 0.000 0.517 773 K N 0.271 120.788 120.400 0.195 0.000 2.063 773 K HA -0.134 4.186 4.320 -0.001 0.000 0.208 773 K C 2.275 178.879 176.600 0.008 0.000 1.048 773 K CA 1.130 57.359 56.287 -0.096 0.000 0.928 773 K CB 0.102 32.261 32.500 -0.568 0.000 0.713 773 K HN 0.299 nan 8.250 nan 0.000 0.442 774 Q N 0.552 120.507 119.800 0.259 0.000 2.197 774 Q HA -0.227 4.113 4.340 -0.001 0.000 0.207 774 Q C 1.809 177.952 176.000 0.239 0.000 0.984 774 Q CA 1.530 57.567 55.803 0.390 0.000 0.869 774 Q CB -0.004 28.896 28.738 0.269 0.000 0.906 774 Q HN 0.487 nan 8.270 nan 0.000 0.426 775 E N -0.364 119.894 120.200 0.097 0.000 2.216 775 E HA -0.063 4.286 4.350 -0.001 0.000 0.192 775 E C 1.864 178.480 176.600 0.026 0.000 0.973 775 E CA 0.723 57.143 56.400 0.034 0.000 0.851 775 E CB 0.253 29.925 29.700 -0.046 0.000 0.804 775 E HN 0.280 nan 8.360 nan 0.000 0.477 776 S N -0.865 114.824 115.700 -0.018 0.000 2.436 776 S HA 0.047 4.516 4.470 -0.001 0.000 0.228 776 S C 1.920 176.590 174.600 0.116 0.000 1.014 776 S CA 0.706 58.913 58.200 0.012 0.000 0.950 776 S CB 0.305 63.483 63.200 -0.036 0.000 0.784 776 S HN 0.282 nan 8.310 nan 0.000 0.504 777 G N 1.277 110.196 108.800 0.197 0.000 2.510 777 G HA2 0.079 4.038 3.960 -0.001 0.000 0.212 777 G HA3 0.079 4.038 3.960 -0.001 0.000 0.212 777 G C 1.183 176.281 174.900 0.329 0.000 1.151 777 G CA 0.388 45.687 45.100 0.331 0.000 0.817 777 G HN 0.434 nan 8.290 nan 0.000 0.534 778 I N 2.251 123.014 120.570 0.323 0.000 2.121 778 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 778 I C 2.857 179.032 176.117 0.096 0.000 1.047 778 I CA 1.803 63.243 61.300 0.233 0.000 1.308 778 I CB -0.449 37.640 38.000 0.149 0.000 1.015 778 I HN 0.204 nan 8.210 nan 0.000 0.410 779 A N 1.066 123.957 122.820 0.118 0.000 1.835 779 A HA -0.083 4.237 4.320 -0.001 0.000 0.215 779 A C 0.200 177.808 177.584 0.039 0.000 1.199 779 A CA 2.195 54.330 52.037 0.162 0.000 0.615 779 A CB -2.302 16.872 19.000 0.291 0.000 0.838 779 A HN 0.471 nan 8.150 nan 0.000 0.444 780 P HA -0.199 nan 4.420 nan 0.000 0.215 780 P C 0.799 177.839 177.300 -0.433 0.000 1.157 780 P CA 1.775 64.492 63.100 -0.639 0.000 0.874 780 P CB -0.481 30.936 31.700 -0.473 0.000 0.790 781 N N -1.296 117.401 118.700 -0.005 0.000 2.149 781 N HA -0.173 4.567 4.740 -0.001 0.000 0.188 781 N C 1.737 177.336 175.510 0.147 0.000 1.019 781 N CA 0.542 53.675 53.050 0.138 0.000 0.857 781 N CB -0.542 38.178 38.487 0.388 0.000 0.997 781 N HN 0.033 nan 8.380 nan 0.000 0.426 782 F N 1.920 121.738 119.950 -0.219 0.000 2.075 782 F HA -0.158 4.368 4.527 -0.001 0.000 0.297 782 F C 2.317 177.897 175.800 -0.367 0.000 1.113 782 F CA 1.102 58.766 58.000 -0.561 0.000 1.218 782 F CB -0.599 37.873 39.000 -0.880 0.000 0.984 782 F HN -0.133 nan 8.300 nan 0.000 0.472 783 V N -1.917 117.753 119.914 -0.407 0.000 2.515 783 V HA -0.222 3.898 4.120 -0.001 0.000 0.250 783 V C 2.435 178.245 176.094 -0.474 0.000 1.058 783 V CA 2.050 64.034 62.300 -0.526 0.000 1.064 783 V CB -1.187 30.311 31.823 -0.543 0.000 0.675 783 V HN 0.342 nan 8.190 nan 0.000 0.461 784 H N 1.985 120.846 119.070 -0.348 0.000 2.352 784 H HA -0.089 4.466 4.556 -0.001 0.000 0.299 784 H C 2.777 177.936 175.328 -0.283 0.000 1.097 784 H CA 2.317 58.183 56.048 -0.305 0.000 1.311 784 H CB -0.542 29.042 29.762 -0.296 0.000 1.377 784 H HN 0.730 nan 8.280 nan 0.000 0.504 785 S N 0.310 115.950 115.700 -0.100 0.000 2.515 785 S HA -0.079 4.391 4.470 -0.001 0.000 0.231 785 S C 1.759 176.251 174.600 -0.181 0.000 0.987 785 S CA 0.531 58.695 58.200 -0.059 0.000 0.936 785 S CB 0.201 63.538 63.200 0.229 0.000 0.766 785 S HN 0.231 nan 8.310 nan 0.000 0.528 786 Q N 1.703 121.280 119.800 -0.373 0.000 2.163 786 Q HA 0.011 4.350 4.340 -0.001 0.000 0.198 786 Q C 1.691 177.479 176.000 -0.354 0.000 0.954 786 Q CA 1.743 57.300 55.803 -0.410 0.000 0.851 786 Q CB -0.462 27.977 28.738 -0.499 0.000 0.928 786 Q HN 0.957 nan 8.270 nan 0.000 0.459 787 D N -1.130 118.982 120.400 -0.479 0.000 2.183 787 D HA -0.058 4.582 4.640 -0.001 0.000 0.205 787 D C 1.846 178.144 176.300 -0.003 0.000 0.962 787 D CA 1.189 55.080 54.000 -0.182 0.000 0.849 787 D CB -0.748 39.988 40.800 -0.107 0.000 0.978 787 D HN 0.161 nan 8.370 nan 0.000 0.488 788 G N 0.077 108.813 108.800 -0.108 0.000 2.440 788 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.218 788 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.218 788 G C 1.764 176.574 174.900 -0.149 0.000 1.154 788 G CA 1.017 46.026 45.100 -0.151 0.000 0.767 788 G HN 0.385 nan 8.290 nan 0.000 0.552 789 S N -0.305 115.331 115.700 -0.106 0.000 2.383 789 S HA -0.160 4.310 4.470 -0.001 0.000 0.227 789 S C 2.188 176.795 174.600 0.011 0.000 1.026 789 S CA 1.569 59.727 58.200 -0.069 0.000 0.981 789 S CB -0.403 62.768 63.200 -0.048 0.000 0.818 789 S HN 0.634 nan 8.310 nan 0.000 0.472 790 H N 1.071 120.129 119.070 -0.020 0.000 2.423 790 H HA 0.095 4.651 4.556 -0.001 0.000 0.297 790 H C 1.949 177.369 175.328 0.153 0.000 1.075 790 H CA 1.777 57.874 56.048 0.082 0.000 1.342 790 H CB -0.526 29.387 29.762 0.251 0.000 1.395 790 H HN 0.425 nan 8.280 nan 0.000 0.530 791 L N -0.262 120.934 121.223 -0.045 0.000 2.056 791 L HA -0.072 4.268 4.340 -0.001 0.000 0.207 791 L C 2.453 179.230 176.870 -0.155 0.000 1.078 791 L CA 1.257 56.017 54.840 -0.133 0.000 0.749 791 L CB -0.221 41.660 42.059 -0.296 0.000 0.901 791 L HN 0.163 nan 8.230 nan 0.000 0.433 792 R N -0.315 120.083 120.500 -0.169 0.000 2.075 792 R HA -0.166 4.173 4.340 -0.001 0.000 0.232 792 R C 2.329 178.568 176.300 -0.102 0.000 1.126 792 R CA 1.416 57.404 56.100 -0.187 0.000 0.963 792 R CB -0.206 29.971 30.300 -0.204 0.000 0.858 792 R HN 0.207 nan 8.270 nan 0.000 0.435 793 K N -0.072 120.310 120.400 -0.030 0.000 2.097 793 K HA -0.086 4.234 4.320 -0.001 0.000 0.206 793 K C 1.884 178.550 176.600 0.110 0.000 1.049 793 K CA 1.640 57.963 56.287 0.061 0.000 0.933 793 K CB 0.005 32.565 32.500 0.100 0.000 0.717 793 K HN 0.052 nan 8.250 nan 0.000 0.442 794 T N -0.227 114.337 114.554 0.017 0.000 2.857 794 T HA -0.064 4.286 4.350 -0.001 0.000 0.266 794 T C 1.730 176.474 174.700 0.073 0.000 1.048 794 T CA 1.144 63.258 62.100 0.022 0.000 1.139 794 T CB -0.042 68.766 68.868 -0.099 0.000 0.874 794 T HN -0.060 nan 8.240 nan 0.000 0.455 795 V N 1.315 121.150 119.914 -0.132 0.000 2.343 795 V HA -0.129 3.991 4.120 -0.001 0.000 0.247 795 V C 2.629 178.618 176.094 -0.176 0.000 1.051 795 V CA 1.320 63.305 62.300 -0.524 0.000 1.036 795 V CB -0.639 30.738 31.823 -0.743 0.000 0.654 795 V HN 0.308 nan 8.190 nan 0.000 0.451 796 V N -0.980 118.915 119.914 -0.032 0.000 2.358 796 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 796 V C 2.107 178.329 176.094 0.213 0.000 1.047 796 V CA 2.019 64.369 62.300 0.083 0.000 1.035 796 V CB -0.686 31.164 31.823 0.045 0.000 0.658 796 V HN 0.764 nan 8.190 nan 0.000 0.452 797 W N 1.363 122.693 121.300 0.051 0.000 2.354 797 W HA -0.200 4.460 4.660 -0.001 0.000 0.315 797 W C 2.530 179.129 176.519 0.133 0.000 1.206 797 W CA 2.333 59.714 57.345 0.059 0.000 1.290 797 W CB -0.636 28.853 29.460 0.049 0.000 1.152 797 W HN 0.280 nan 8.180 nan 0.000 0.489 798 A N -0.449 122.759 122.820 0.647 0.000 1.978 798 A HA -0.280 4.039 4.320 -0.001 0.000 0.220 798 A C 2.137 180.065 177.584 0.574 0.000 1.170 798 A CA 1.964 54.424 52.037 0.705 0.000 0.636 798 A CB -1.463 17.962 19.000 0.708 0.000 0.810 798 A HN 0.604 nan 8.150 nan 0.000 0.448 799 H N -0.296 119.029 119.070 0.425 0.000 2.343 799 H HA 0.003 4.559 4.556 -0.001 0.000 0.303 799 H C 1.732 177.139 175.328 0.132 0.000 1.068 799 H CA 1.591 57.823 56.048 0.306 0.000 1.359 799 H CB 0.114 30.063 29.762 0.313 0.000 1.402 799 H HN 0.644 nan 8.280 nan 0.000 0.515 800 E N 0.038 120.248 120.200 0.016 0.000 2.230 800 E HA -0.058 4.292 4.350 -0.001 0.000 0.192 800 E C 1.870 178.327 176.600 -0.238 0.000 0.987 800 E CA 0.350 56.664 56.400 -0.143 0.000 0.841 800 E CB 0.389 30.041 29.700 -0.080 0.000 0.783 800 E HN 0.248 nan 8.360 nan 0.000 0.481 801 K N -0.205 120.004 120.400 -0.320 0.000 2.334 801 K HA 0.068 4.387 4.320 -0.001 0.000 0.195 801 K C 0.738 176.992 176.600 -0.575 0.000 1.045 801 K CA 0.631 56.586 56.287 -0.554 0.000 1.004 801 K CB 0.394 32.349 32.500 -0.907 0.000 0.837 801 K HN 0.194 nan 8.250 nan 0.000 0.510 802 Y N -0.318 120.004 120.300 0.036 0.000 2.527 802 Y HA 0.273 4.822 4.550 -0.001 0.000 0.247 802 Y C 1.007 176.905 175.900 -0.003 0.000 1.138 802 Y CA -0.292 57.835 58.100 0.045 0.000 1.228 802 Y CB 0.647 39.170 38.460 0.105 0.000 1.252 802 Y HN 0.175 nan 8.280 nan 0.000 0.531 803 G N 1.691 110.519 108.800 0.047 0.000 2.246 803 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.273 803 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.273 803 G C -0.028 174.882 174.900 0.015 0.000 1.055 803 G CA 0.157 45.228 45.100 -0.048 0.000 0.851 803 G HN 0.327 nan 8.290 nan 0.000 0.500 804 I N -0.328 120.299 120.570 0.095 0.000 2.441 804 I HA 0.263 4.432 4.170 -0.001 0.000 0.287 804 I C 1.231 177.392 176.117 0.072 0.000 1.049 804 I CA -0.191 61.092 61.300 -0.029 0.000 1.381 804 I CB 1.134 39.010 38.000 -0.206 0.000 1.409 804 I HN 0.240 nan 8.210 nan 0.000 0.523 805 E N 2.520 122.688 120.200 -0.053 0.000 2.372 805 E HA 0.093 4.443 4.350 -0.001 0.000 0.201 805 E C -0.067 176.504 176.600 -0.049 0.000 0.938 805 E CA 0.144 56.597 56.400 0.088 0.000 0.944 805 E CB 0.600 30.357 29.700 0.094 0.000 0.937 805 E HN 0.541 nan 8.360 nan 0.000 0.495 806 S N 0.713 116.225 115.700 -0.313 0.000 2.442 806 S HA 0.500 4.969 4.470 -0.001 0.000 0.297 806 S C -0.750 173.545 174.600 -0.509 0.000 1.131 806 S CA -0.467 57.535 58.200 -0.330 0.000 1.092 806 S CB 0.528 63.510 63.200 -0.364 0.000 0.998 806 S HN 0.041 nan 8.310 nan 0.000 0.478 807 F N 1.041 120.947 119.950 -0.072 0.000 2.561 807 F HA 0.608 5.134 4.527 -0.001 0.000 0.313 807 F C 0.023 175.890 175.800 0.111 0.000 1.126 807 F CA -0.852 57.147 58.000 -0.003 0.000 0.918 807 F CB 1.722 40.724 39.000 0.003 0.000 1.199 807 F HN 0.611 nan 8.300 nan 0.000 0.444 808 A N 5.404 128.410 122.820 0.311 0.000 2.328 808 A HA 0.791 5.111 4.320 -0.001 0.000 0.318 808 A C -1.179 176.505 177.584 0.168 0.000 1.347 808 A CA -0.461 51.824 52.037 0.412 0.000 0.842 808 A CB 0.119 19.326 19.000 0.344 0.000 1.148 808 A HN 0.742 nan 8.150 nan 0.000 0.499 809 L N 2.555 123.800 121.223 0.037 0.000 2.317 809 L HA 0.628 4.967 4.340 -0.001 0.000 0.281 809 L C -0.241 176.454 176.870 -0.292 0.000 1.024 809 L CA -0.390 54.326 54.840 -0.207 0.000 0.810 809 L CB 1.624 43.483 42.059 -0.334 0.000 1.240 809 L HN 0.616 nan 8.230 nan 0.000 0.427 810 I N 2.783 123.130 120.570 -0.371 0.000 2.831 810 I HA 0.216 4.385 4.170 -0.001 0.000 0.326 810 I C 0.106 176.003 176.117 -0.366 0.000 1.449 810 I CA -0.152 60.913 61.300 -0.392 0.000 0.809 810 I CB -0.126 37.766 38.000 -0.181 0.000 2.112 810 I HN 0.746 nan 8.210 nan 0.000 0.584 811 H N 1.676 120.527 119.070 -0.365 0.000 4.741 811 H HA -0.220 4.335 4.556 -0.001 0.000 0.062 811 H C 0.809 175.954 175.328 -0.305 0.000 0.612 811 H CA 2.157 58.005 56.048 -0.334 0.000 0.934 811 H CB -0.938 28.664 29.762 -0.265 0.000 0.498 811 H HN 0.708 nan 8.280 nan 0.000 0.813 812 D N 1.507 121.891 120.400 -0.027 0.000 2.593 812 D HA 0.339 4.978 4.640 -0.001 0.000 0.241 812 D C -0.116 176.225 176.300 0.068 0.000 1.257 812 D CA 0.427 54.461 54.000 0.057 0.000 0.828 812 D CB 0.430 41.366 40.800 0.227 0.000 1.049 812 D HN 0.204 nan 8.370 nan 0.000 0.490 813 S N 0.107 115.695 115.700 -0.187 0.000 2.519 813 S HA 0.619 5.089 4.470 -0.001 0.000 0.309 813 S C -1.588 172.869 174.600 -0.238 0.000 1.100 813 S CA -0.670 57.522 58.200 -0.013 0.000 1.059 813 S CB 0.275 63.489 63.200 0.024 0.000 1.008 813 S HN 0.064 nan 8.310 nan 0.000 0.478 814 F N 2.697 122.696 119.950 0.082 0.000 2.467 814 F HA 0.737 5.264 4.527 -0.001 0.000 0.336 814 F C 0.843 176.705 175.800 0.103 0.000 1.123 814 F CA -0.621 57.432 58.000 0.087 0.000 0.964 814 F CB 2.112 41.156 39.000 0.073 0.000 1.136 814 F HN 0.682 nan 8.300 nan 0.000 0.447 815 G N 1.004 109.947 108.800 0.237 0.000 2.612 815 G HA2 0.761 4.720 3.960 -0.001 0.000 0.298 815 G HA3 0.761 4.720 3.960 -0.001 0.000 0.298 815 G C -1.221 173.687 174.900 0.013 0.000 1.336 815 G CA -0.667 44.483 45.100 0.082 0.000 0.953 815 G HN 0.610 nan 8.290 nan 0.000 0.482 816 T N -0.576 113.904 114.554 -0.123 0.000 2.626 816 T HA 0.537 4.887 4.350 -0.001 0.000 0.299 816 T C -0.005 174.557 174.700 -0.231 0.000 1.181 816 T CA -0.656 61.316 62.100 -0.213 0.000 1.053 816 T CB 0.696 69.434 68.868 -0.215 0.000 1.566 816 T HN 0.953 nan 8.240 nan 0.000 0.486 817 I N -0.329 120.109 120.570 -0.221 0.000 2.612 817 I HA 0.426 4.596 4.170 -0.001 0.000 0.295 817 I C -2.133 173.916 176.117 -0.113 0.000 1.011 817 I CA -2.474 58.721 61.300 -0.174 0.000 1.326 817 I CB 0.946 38.846 38.000 -0.167 0.000 1.427 817 I HN 0.270 nan 8.210 nan 0.000 0.537 818 P HA -0.282 nan 4.420 nan 0.000 0.218 818 P C 1.466 178.806 177.300 0.067 0.000 1.154 818 P CA 2.549 65.671 63.100 0.036 0.000 0.872 818 P CB 0.081 31.840 31.700 0.098 0.000 0.790 819 A N -0.887 121.949 122.820 0.026 0.000 2.070 819 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 819 A C 1.652 179.241 177.584 0.009 0.000 1.159 819 A CA 1.838 53.893 52.037 0.029 0.000 0.656 819 A CB -0.890 18.109 19.000 -0.001 0.000 0.800 819 A HN 0.157 nan 8.150 nan 0.000 0.453 820 D N -1.031 119.349 120.400 -0.033 0.000 2.398 820 D HA 0.314 4.954 4.640 -0.001 0.000 0.210 820 D C 1.856 178.121 176.300 -0.058 0.000 1.094 820 D CA 0.741 54.706 54.000 -0.058 0.000 0.839 820 D CB 0.133 40.867 40.800 -0.109 0.000 0.963 820 D HN 0.376 nan 8.370 nan 0.000 0.506 821 A N 1.657 124.456 122.820 -0.035 0.000 1.892 821 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 821 A C 2.373 179.892 177.584 -0.108 0.000 1.188 821 A CA 2.167 54.196 52.037 -0.013 0.000 0.631 821 A CB -0.602 18.310 19.000 -0.147 0.000 0.822 821 A HN 0.240 nan 8.150 nan 0.000 0.447 822 A N 0.245 122.991 122.820 -0.123 0.000 1.892 822 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 822 A C 1.911 179.402 177.584 -0.155 0.000 1.188 822 A CA 2.023 54.004 52.037 -0.094 0.000 0.631 822 A CB -0.680 18.373 19.000 0.088 0.000 0.822 822 A HN 0.586 nan 8.150 nan 0.000 0.447 823 N N -0.663 117.912 118.700 -0.210 0.000 2.331 823 N HA -0.064 4.676 4.740 -0.001 0.000 0.180 823 N C 1.497 176.794 175.510 -0.354 0.000 1.019 823 N CA 1.134 53.916 53.050 -0.448 0.000 0.881 823 N CB -0.398 37.779 38.487 -0.516 0.000 0.972 823 N HN 0.421 nan 8.380 nan 0.000 0.435 824 L N -0.053 121.068 121.223 -0.169 0.000 2.156 824 L HA 0.073 4.413 4.340 -0.001 0.000 0.208 824 L C 1.923 178.608 176.870 -0.309 0.000 1.095 824 L CA 0.986 55.771 54.840 -0.092 0.000 0.770 824 L CB -0.612 41.495 42.059 0.080 0.000 0.914 824 L HN -0.010 nan 8.230 nan 0.000 0.439 825 F N 0.071 119.619 119.950 -0.669 0.000 2.161 825 F HA -0.254 4.273 4.527 -0.001 0.000 0.300 825 F C 2.253 177.724 175.800 -0.548 0.000 1.089 825 F CA 1.795 59.205 58.000 -0.984 0.000 1.282 825 F CB 0.050 38.373 39.000 -1.128 0.000 1.010 825 F HN 0.026 nan 8.300 nan 0.000 0.485 826 K N -0.393 119.851 120.400 -0.261 0.000 2.099 826 K HA 0.088 4.407 4.320 -0.001 0.000 0.203 826 K C 2.311 178.762 176.600 -0.248 0.000 1.047 826 K CA 0.740 56.898 56.287 -0.214 0.000 0.963 826 K CB -0.468 31.948 32.500 -0.139 0.000 0.759 826 K HN 0.223 nan 8.250 nan 0.000 0.451 827 A N 1.456 124.163 122.820 -0.188 0.000 1.852 827 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 827 A C 1.287 178.626 177.584 -0.407 0.000 1.215 827 A CA 1.371 53.334 52.037 -0.122 0.000 0.641 827 A CB -0.936 18.151 19.000 0.146 0.000 0.838 827 A HN 0.170 nan 8.150 nan 0.000 0.450 828 V N -0.110 119.533 119.914 -0.453 0.000 2.763 828 V HA 0.304 4.423 4.120 -0.001 0.000 0.306 828 V C 1.238 177.042 176.094 -0.483 0.000 1.059 828 V CA 1.270 63.206 62.300 -0.608 0.000 1.138 828 V CB 0.400 31.608 31.823 -1.025 0.000 0.940 828 V HN 0.820 nan 8.190 nan 0.000 0.489 829 R N 1.717 122.011 120.500 -0.343 0.000 1.222 829 R HA -0.173 4.166 4.340 -0.001 0.000 0.037 829 R C 1.611 177.723 176.300 -0.313 0.000 0.955 829 R CA 1.269 57.181 56.100 -0.313 0.000 1.981 829 R CB -1.325 28.759 30.300 -0.360 0.000 0.214 829 R HN 0.813 nan 8.270 nan 0.000 0.728 830 E N 0.525 120.476 120.200 -0.415 0.000 2.085 830 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 830 E C 1.497 177.661 176.600 -0.726 0.000 0.994 830 E CA 1.932 58.009 56.400 -0.538 0.000 0.801 830 E CB -0.130 29.164 29.700 -0.677 0.000 0.743 830 E HN 0.402 nan 8.360 nan 0.000 0.453 831 T N 0.856 114.961 114.554 -0.749 0.000 2.812 831 T HA -0.136 4.214 4.350 -0.001 0.000 0.264 831 T C 1.766 176.374 174.700 -0.154 0.000 1.042 831 T CA 1.121 62.950 62.100 -0.451 0.000 1.140 831 T CB -0.134 68.593 68.868 -0.235 0.000 0.870 831 T HN 0.039 nan 8.240 nan 0.000 0.445 832 M N 1.196 120.724 119.600 -0.120 0.000 2.073 832 M HA -0.101 4.379 4.480 -0.001 0.000 0.258 832 M C 2.116 178.376 176.300 -0.068 0.000 1.070 832 M CA 1.617 56.785 55.300 -0.220 0.000 1.103 832 M CB -0.845 31.584 32.600 -0.284 0.000 1.321 832 M HN 0.060 nan 8.290 nan 0.000 0.405 833 V N 0.470 120.319 119.914 -0.110 0.000 2.223 833 V HA -0.327 3.792 4.120 -0.001 0.000 0.244 833 V C 1.871 177.952 176.094 -0.021 0.000 1.045 833 V CA 2.508 64.775 62.300 -0.056 0.000 1.000 833 V CB -1.109 30.663 31.823 -0.085 0.000 0.635 833 V HN 0.461 nan 8.190 nan 0.000 0.445 834 D N -0.597 119.770 120.400 -0.055 0.000 2.182 834 D HA -0.157 4.483 4.640 -0.001 0.000 0.201 834 D C 2.189 178.502 176.300 0.021 0.000 0.986 834 D CA 1.737 55.753 54.000 0.027 0.000 0.847 834 D CB -0.245 40.626 40.800 0.119 0.000 0.942 834 D HN 0.392 nan 8.370 nan 0.000 0.467 835 T N -0.605 113.924 114.554 -0.042 0.000 2.668 835 T HA -0.148 4.201 4.350 -0.001 0.000 0.262 835 T C 1.263 175.853 174.700 -0.185 0.000 1.045 835 T CA 0.948 62.964 62.100 -0.140 0.000 1.152 835 T CB -0.397 68.302 68.868 -0.283 0.000 0.864 835 T HN 0.206 nan 8.240 nan 0.000 0.419 836 Y N 0.917 121.201 120.300 -0.027 0.000 2.578 836 Y HA 0.197 4.747 4.550 -0.001 0.000 0.297 836 Y C 2.217 178.109 175.900 -0.014 0.000 1.176 836 Y CA 0.128 58.215 58.100 -0.022 0.000 1.315 836 Y CB -0.077 38.353 38.460 -0.051 0.000 1.031 836 Y HN 0.325 nan 8.280 nan 0.000 0.524 837 E N -1.368 118.892 120.200 0.100 0.000 2.340 837 E HA 0.002 4.352 4.350 -0.001 0.000 0.198 837 E C 1.852 178.484 176.600 0.053 0.000 0.961 837 E CA 0.581 57.022 56.400 0.067 0.000 0.905 837 E CB 0.235 29.965 29.700 0.050 0.000 0.884 837 E HN 0.120 nan 8.360 nan 0.000 0.491 838 S N -0.376 115.351 115.700 0.045 0.000 2.458 838 S HA 0.062 4.532 4.470 -0.001 0.000 0.223 838 S C 0.368 174.992 174.600 0.039 0.000 1.019 838 S CA 0.424 58.650 58.200 0.042 0.000 0.937 838 S CB 0.108 63.335 63.200 0.045 0.000 0.788 838 S HN 0.525 nan 8.310 nan 0.000 0.511 839 C N 0.257 119.578 119.300 0.035 0.000 2.985 839 C HA 0.656 5.115 4.460 -0.001 0.000 0.314 839 C C -1.356 173.677 174.990 0.072 0.000 1.215 839 C CA -1.520 57.526 59.018 0.046 0.000 1.414 839 C CB 1.274 29.036 27.740 0.036 0.000 1.842 839 C HN 0.175 nan 8.230 nan 0.000 0.477 840 D N 1.850 122.299 120.400 0.083 0.000 2.479 840 D HA 0.254 4.894 4.640 -0.001 0.000 0.218 840 D C 1.450 177.832 176.300 0.137 0.000 1.131 840 D CA -0.111 53.948 54.000 0.098 0.000 0.916 840 D CB 1.427 42.261 40.800 0.057 0.000 1.022 840 D HN 0.784 nan 8.370 nan 0.000 0.515 841 V N 2.558 122.584 119.914 0.185 0.000 2.546 841 V HA -0.225 3.895 4.120 -0.001 0.000 0.254 841 V C 1.893 178.192 176.094 0.342 0.000 1.076 841 V CA 1.260 63.724 62.300 0.274 0.000 1.087 841 V CB -0.698 31.304 31.823 0.297 0.000 0.674 841 V HN 0.495 nan 8.190 nan 0.000 0.470 842 L N 0.064 121.391 121.223 0.172 0.000 2.202 842 L HA 0.216 4.555 4.340 -0.001 0.000 0.205 842 L C 2.944 179.869 176.870 0.092 0.000 1.083 842 L CA 1.114 55.956 54.840 0.003 0.000 0.790 842 L CB -0.734 41.087 42.059 -0.396 0.000 0.942 842 L HN 0.392 nan 8.230 nan 0.000 0.452 843 A N 0.036 122.897 122.820 0.068 0.000 1.929 843 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 843 A C 1.788 179.504 177.584 0.220 0.000 1.176 843 A CA 1.560 53.666 52.037 0.116 0.000 0.628 843 A CB -0.334 18.693 19.000 0.045 0.000 0.816 843 A HN 0.305 nan 8.150 nan 0.000 0.444 844 D N -0.978 119.557 120.400 0.225 0.000 2.178 844 D HA -0.095 4.544 4.640 -0.001 0.000 0.202 844 D C 1.505 177.999 176.300 0.323 0.000 0.974 844 D CA 0.888 55.025 54.000 0.227 0.000 0.841 844 D CB -0.406 40.520 40.800 0.210 0.000 0.953 844 D HN 0.433 nan 8.370 nan 0.000 0.478 845 F N 0.537 120.651 119.950 0.272 0.000 2.113 845 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 845 F C 2.193 178.238 175.800 0.408 0.000 1.103 845 F CA 0.933 59.157 58.000 0.372 0.000 1.248 845 F CB -0.809 38.394 39.000 0.337 0.000 0.999 845 F HN -0.044 nan 8.300 nan 0.000 0.475 846 Y N 1.565 122.006 120.300 0.235 0.000 2.070 846 Y HA -0.290 4.259 4.550 -0.001 0.000 0.280 846 Y C 2.364 177.846 175.900 -0.697 0.000 1.148 846 Y CA 2.287 60.151 58.100 -0.394 0.000 1.125 846 Y CB -0.688 37.801 38.460 0.049 0.000 0.975 846 Y HN 0.079 nan 8.280 nan 0.000 0.492 847 D N -0.134 120.165 120.400 -0.168 0.000 2.315 847 D HA -0.219 4.420 4.640 -0.001 0.000 0.211 847 D C 1.821 177.974 176.300 -0.244 0.000 0.977 847 D CA 1.363 55.254 54.000 -0.181 0.000 0.894 847 D CB -0.262 40.546 40.800 0.013 0.000 0.910 847 D HN 0.443 nan 8.370 nan 0.000 0.490 848 Q N -0.226 119.444 119.800 -0.217 0.000 2.245 848 Q HA -0.068 4.271 4.340 -0.001 0.000 0.201 848 Q C 1.449 177.401 176.000 -0.081 0.000 0.955 848 Q CA 0.846 56.608 55.803 -0.069 0.000 0.870 848 Q CB -0.037 28.765 28.738 0.106 0.000 0.945 848 Q HN 0.509 nan 8.270 nan 0.000 0.461 849 F N -3.901 115.845 119.950 -0.340 0.000 2.784 849 F HA 0.630 5.157 4.527 -0.001 0.000 0.323 849 F C 1.417 176.954 175.800 -0.438 0.000 1.085 849 F CA -0.091 57.696 58.000 -0.354 0.000 1.196 849 F CB -0.707 38.004 39.000 -0.481 0.000 1.053 849 F HN -0.031 nan 8.300 nan 0.000 0.578 850 A N 2.605 124.656 122.820 -1.282 0.000 1.836 850 A HA -0.260 4.059 4.320 -0.001 0.000 0.215 850 A C 2.167 179.562 177.584 -0.314 0.000 1.214 850 A CA 2.471 53.883 52.037 -1.042 0.000 0.636 850 A CB -1.365 16.948 19.000 -1.146 0.000 0.847 850 A HN 0.575 nan 8.150 nan 0.000 0.451 851 D N -0.725 119.545 120.400 -0.217 0.000 2.144 851 D HA -0.129 4.511 4.640 -0.001 0.000 0.200 851 D C 1.262 177.546 176.300 -0.027 0.000 0.978 851 D CA 0.899 54.856 54.000 -0.072 0.000 0.833 851 D CB -0.641 40.130 40.800 -0.048 0.000 0.961 851 D HN 0.495 nan 8.370 nan 0.000 0.470 852 Q N 0.755 120.532 119.800 -0.038 0.000 2.535 852 Q HA 0.032 4.372 4.340 -0.001 0.000 0.228 852 Q C -0.112 175.929 176.000 0.068 0.000 1.062 852 Q CA -0.594 55.223 55.803 0.023 0.000 0.967 852 Q CB 0.638 29.402 28.738 0.044 0.000 1.273 852 Q HN 0.108 nan 8.270 nan 0.000 0.554 853 L N 3.868 125.139 121.223 0.080 0.000 3.163 853 L HA -0.218 4.121 4.340 -0.001 0.000 0.327 853 L C 0.622 177.603 176.870 0.186 0.000 1.030 853 L CA 1.675 56.575 54.840 0.101 0.000 0.897 853 L CB -1.050 41.060 42.059 0.085 0.000 1.389 853 L HN 0.834 nan 8.230 nan 0.000 0.530 854 H N -1.303 117.780 119.070 0.022 0.000 2.423 854 H HA 0.140 4.696 4.556 -0.001 0.000 0.162 854 H C 0.943 176.283 175.328 0.020 0.000 1.008 854 H CA 0.410 56.477 56.048 0.032 0.000 0.723 854 H CB 0.381 30.169 29.762 0.044 0.000 0.681 854 H HN 0.511 nan 8.280 nan 0.000 0.481 855 E N 0.874 121.016 120.200 -0.096 0.000 4.569 855 E HA 0.315 4.664 4.350 -0.001 0.000 0.455 855 E C 0.036 176.574 176.600 -0.104 0.000 1.200 855 E CA 0.919 57.225 56.400 -0.156 0.000 2.838 855 E CB 0.435 30.090 29.700 -0.075 0.000 1.844 855 E HN 0.224 nan 8.360 nan 0.000 0.714 856 S N -0.010 115.649 115.700 -0.068 0.000 3.990 856 S HA -0.212 4.257 4.470 -0.001 0.000 0.346 856 S C 0.675 175.244 174.600 -0.052 0.000 1.030 856 S CA 1.337 59.510 58.200 -0.044 0.000 1.011 856 S CB -1.251 61.932 63.200 -0.029 0.000 0.863 856 S HN 0.599 nan 8.310 nan 0.000 0.485 857 Q N -1.263 118.500 119.800 -0.062 0.000 7.756 857 Q HA -0.215 4.125 4.340 -0.001 0.000 0.361 857 Q C -0.451 175.498 176.000 -0.084 0.000 1.108 857 Q CA 0.982 56.752 55.803 -0.056 0.000 0.531 857 Q CB -1.412 27.303 28.738 -0.038 0.000 0.169 857 Q HN 0.646 nan 8.270 nan 0.000 0.885 858 L N 2.957 124.103 121.223 -0.128 0.000 2.737 858 L HA -0.033 4.307 4.340 -0.001 0.000 0.275 858 L C -0.271 176.453 176.870 -0.243 0.000 1.179 858 L CA 1.538 56.264 54.840 -0.189 0.000 0.970 858 L CB -0.132 41.756 42.059 -0.285 0.000 1.268 858 L HN 0.357 nan 8.230 nan 0.000 0.485 859 D N 0.949 121.296 120.400 -0.087 0.000 3.710 859 D HA 0.021 4.661 4.640 -0.001 0.000 0.274 859 D C 0.224 176.551 176.300 0.045 0.000 1.572 859 D CA -0.147 53.851 54.000 -0.004 0.000 0.782 859 D CB 0.368 41.162 40.800 -0.009 0.000 1.393 859 D HN 0.227 nan 8.370 nan 0.000 0.671 860 K N 0.105 120.532 120.400 0.045 0.000 2.410 860 K HA 0.244 4.564 4.320 -0.001 0.000 0.200 860 K C 0.648 177.284 176.600 0.059 0.000 1.023 860 K CA -0.456 55.855 56.287 0.041 0.000 1.149 860 K CB -0.120 32.393 32.500 0.022 0.000 0.859 860 K HN 0.186 nan 8.250 nan 0.000 0.514 861 M N 3.349 123.014 119.600 0.110 0.000 2.612 861 M HA 0.079 4.558 4.480 -0.001 0.000 0.336 861 M C -2.319 174.032 176.300 0.086 0.000 1.699 861 M CA -2.249 53.120 55.300 0.115 0.000 1.284 861 M CB -0.216 32.562 32.600 0.297 0.000 1.957 861 M HN -0.149 nan 8.290 nan 0.000 0.456 862 P HA 0.095 nan 4.420 nan 0.000 0.266 862 P C -1.000 176.446 177.300 0.243 0.000 1.186 862 P CA 0.041 63.210 63.100 0.115 0.000 0.767 862 P CB 0.363 32.132 31.700 0.115 0.000 0.820 863 A N 3.041 125.984 122.820 0.205 0.000 2.425 863 A HA 0.252 4.571 4.320 -0.001 0.000 0.242 863 A C -0.147 177.590 177.584 0.255 0.000 1.077 863 A CA -0.350 51.801 52.037 0.189 0.000 0.781 863 A CB -0.436 18.600 19.000 0.060 0.000 1.020 863 A HN 0.490 nan 8.150 nan 0.000 0.494 864 L N 3.135 124.403 121.223 0.075 0.000 2.525 864 L HA 0.174 4.514 4.340 -0.001 0.000 0.278 864 L C -1.484 175.218 176.870 -0.280 0.000 1.218 864 L CA -0.471 54.126 54.840 -0.404 0.000 0.878 864 L CB -0.670 41.148 42.059 -0.402 0.000 1.127 864 L HN 0.534 nan 8.230 nan 0.000 0.492 865 P HA 0.052 nan 4.420 nan 0.000 0.265 865 P C -0.675 176.530 177.300 -0.158 0.000 1.187 865 P CA -0.387 62.597 63.100 -0.193 0.000 0.766 865 P CB 0.577 32.151 31.700 -0.209 0.000 0.820 866 A N 3.960 126.717 122.820 -0.105 0.000 2.477 866 A HA 0.170 4.489 4.320 -0.001 0.000 0.246 866 A C 0.616 178.147 177.584 -0.089 0.000 1.078 866 A CA -0.276 51.710 52.037 -0.085 0.000 0.770 866 A CB -0.135 18.828 19.000 -0.063 0.000 1.011 866 A HN 0.368 nan 8.150 nan 0.000 0.494 867 K N 1.700 122.052 120.400 -0.079 0.000 2.295 867 K HA 0.293 4.612 4.320 -0.001 0.000 0.270 867 K C 0.873 177.434 176.600 -0.065 0.000 1.011 867 K CA 0.494 56.738 56.287 -0.072 0.000 0.953 867 K CB 0.597 33.062 32.500 -0.059 0.000 0.956 867 K HN 0.795 nan 8.250 nan 0.000 0.477 868 G N 0.881 109.640 108.800 -0.068 0.000 2.535 868 G HA2 0.027 3.986 3.960 -0.001 0.000 0.282 868 G HA3 0.027 3.986 3.960 -0.001 0.000 0.282 868 G C 0.417 175.284 174.900 -0.054 0.000 1.350 868 G CA -0.476 44.586 45.100 -0.064 0.000 1.039 868 G HN 0.570 nan 8.290 nan 0.000 0.509 869 N N -0.690 117.979 118.700 -0.052 0.000 2.230 869 N HA 0.034 4.773 4.740 -0.001 0.000 0.202 869 N C 0.351 175.833 175.510 -0.046 0.000 1.119 869 N CA -0.357 52.667 53.050 -0.044 0.000 0.851 869 N CB 0.506 38.969 38.487 -0.040 0.000 0.990 869 N HN 0.266 nan 8.380 nan 0.000 0.497 870 L N 1.820 123.009 121.223 -0.056 0.000 2.499 870 L HA 0.060 4.399 4.340 -0.001 0.000 0.273 870 L C 0.519 177.358 176.870 -0.052 0.000 1.195 870 L CA 0.306 55.110 54.840 -0.060 0.000 0.882 870 L CB 0.075 42.087 42.059 -0.079 0.000 1.133 870 L HN 0.051 nan 8.230 nan 0.000 0.483 871 N N 5.110 123.782 118.700 -0.047 0.000 2.767 871 N HA 0.107 4.847 4.740 -0.001 0.000 0.238 871 N C 1.027 176.511 175.510 -0.044 0.000 1.083 871 N CA -0.418 52.609 53.050 -0.037 0.000 0.964 871 N CB 0.332 38.801 38.487 -0.029 0.000 1.252 871 N HN 0.864 nan 8.380 nan 0.000 0.512 872 L N 1.972 123.167 121.223 -0.046 0.000 2.054 872 L HA -0.288 4.051 4.340 -0.001 0.000 0.220 872 L C 2.439 179.279 176.870 -0.050 0.000 1.081 872 L CA 1.312 56.120 54.840 -0.053 0.000 0.780 872 L CB -0.429 41.612 42.059 -0.030 0.000 0.893 872 L HN 0.560 nan 8.230 nan 0.000 0.438 873 R N 0.153 120.633 120.500 -0.032 0.000 2.261 873 R HA -0.181 4.159 4.340 -0.001 0.000 0.236 873 R C 1.617 177.896 176.300 -0.036 0.000 1.141 873 R CA 1.284 57.367 56.100 -0.028 0.000 1.001 873 R CB -0.855 29.439 30.300 -0.011 0.000 0.866 873 R HN 0.493 nan 8.270 nan 0.000 0.468 874 D N 0.418 120.794 120.400 -0.041 0.000 2.178 874 D HA -0.078 4.562 4.640 -0.001 0.000 0.202 874 D C 1.896 178.162 176.300 -0.056 0.000 0.974 874 D CA 0.645 54.620 54.000 -0.041 0.000 0.841 874 D CB -0.209 40.567 40.800 -0.041 0.000 0.953 874 D HN 0.234 nan 8.370 nan 0.000 0.478 875 I N 0.706 121.228 120.570 -0.080 0.000 2.300 875 I HA -0.281 3.889 4.170 -0.001 0.000 0.252 875 I C 2.143 178.190 176.117 -0.116 0.000 1.119 875 I CA 0.764 61.998 61.300 -0.110 0.000 1.384 875 I CB -0.310 37.607 38.000 -0.139 0.000 1.062 875 I HN 0.053 nan 8.210 nan 0.000 0.426 876 L N 0.168 121.337 121.223 -0.091 0.000 2.191 876 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 876 L C 2.077 178.932 176.870 -0.026 0.000 1.103 876 L CA 1.069 55.865 54.840 -0.074 0.000 0.769 876 L CB -0.527 41.508 42.059 -0.041 0.000 0.908 876 L HN 0.297 nan 8.230 nan 0.000 0.438 877 E N -0.666 119.522 120.200 -0.019 0.000 2.474 877 E HA 0.064 4.414 4.350 -0.001 0.000 0.195 877 E C 0.702 177.303 176.600 0.001 0.000 1.039 877 E CA 0.060 56.467 56.400 0.011 0.000 0.881 877 E CB 0.435 30.138 29.700 0.005 0.000 0.970 877 E HN 0.087 nan 8.360 nan 0.000 0.486 878 S N 1.550 117.227 115.700 -0.038 0.000 2.481 878 S HA 0.054 4.524 4.470 -0.001 0.000 0.276 878 S C 0.528 175.088 174.600 -0.067 0.000 1.247 878 S CA -0.469 57.691 58.200 -0.067 0.000 1.053 878 S CB 0.602 63.753 63.200 -0.081 0.000 0.925 878 S HN -0.121 nan 8.310 nan 0.000 0.491 879 D N 3.858 124.136 120.400 -0.204 0.000 2.194 879 D HA 0.053 4.692 4.640 -0.001 0.000 0.204 879 D C 0.845 176.933 176.300 -0.353 0.000 0.964 879 D CA 1.070 54.964 54.000 -0.177 0.000 0.846 879 D CB -0.012 40.341 40.800 -0.745 0.000 0.962 879 D HN 0.670 nan 8.370 nan 0.000 0.490 880 F N 0.369 120.251 119.950 -0.114 0.000 2.776 880 F HA 0.360 4.887 4.527 -0.001 0.000 0.300 880 F C 2.123 177.671 175.800 -0.420 0.000 1.116 880 F CA -0.274 57.499 58.000 -0.379 0.000 1.375 880 F CB -0.592 38.196 39.000 -0.354 0.000 1.109 880 F HN -0.132 nan 8.300 nan 0.000 0.585 881 A N 0.355 123.111 122.820 -0.106 0.000 1.845 881 A HA -0.037 4.283 4.320 -0.001 0.000 0.215 881 A C 1.578 179.169 177.584 0.012 0.000 1.195 881 A CA 1.883 53.862 52.037 -0.096 0.000 0.616 881 A CB -0.818 18.106 19.000 -0.127 0.000 0.832 881 A HN 0.413 nan 8.150 nan 0.000 0.443 882 F N -2.703 117.104 119.950 -0.237 0.000 2.527 882 F HA -0.365 4.162 4.527 -0.001 0.000 0.755 882 F C 1.449 177.049 175.800 -0.334 0.000 0.485 882 F CA 0.246 58.074 58.000 -0.286 0.000 0.751 882 F CB -1.681 37.357 39.000 0.063 0.000 1.601 882 F HN 0.565 nan 8.300 nan 0.000 0.279 883 A N 0.000 122.908 122.820 0.146 0.000 2.254 883 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 883 A CA 0.000 52.082 52.037 0.076 0.000 0.836 883 A CB 0.000 19.292 19.000 0.487 0.000 0.831 883 A HN 0.000 nan 8.150 nan 0.000 0.486