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 3c69_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADNYKNVINR TGAPQYMKDY DYDDHQRFNP FFDLGAWHGH LLPDGPNTMG DATA SEQUENCE GFPGVALLTE EYINFMASNF DRLTVWQDGK KVDFTLEAYS IPGALVQKLT DATA SEQUENCE AKDVQVEMTL RFATPRTSLL ETKITSNKPL DLVWDGELLE KLEAKEGKPL DATA SEQUENCE SDKTIAGEYP DYQRKISATR DGLKVTFGKV RATWDLLTSG ESEYQVHKSL DATA SEQUENCE PVQTEINGNR FTSKAHINGS TTLYTTYSHL LTAQEVSKEQ MQIRDILARP DATA SEQUENCE AFYLTASQQR WEEYLKKGLT NPDATPEQTR VAVKAIETLN GNWRSPGGAV DATA SEQUENCE KFNTVTPSVT GRWFSGNQTW PWDTWKQAFA MAHFNPDIAK ENIRAVFSWQ DATA SEQUENCE IQPGDSVRPQ DVGFVPDLIA WNLSPERGGD GGNWNERNTK PSLAAWSVME DATA SEQUENCE VYNVTQDKTW VAEMYPKLVA YHDWWLRNRD HNGNGVPEYG ATRDKAHNTE DATA SEQUENCE SGEMLFTVKK GDKEETQSGL NNYARVVEKG QYDSLEIPAQ VAASWESGRD DATA SEQUENCE DAAVFGFIDK EQLDKYVANG GKRSDWTVKF AENRSQDGTL LGYSLLQESV DATA SEQUENCE DQASYMYSDN HYLAEMATIL GKPEEAKRYR QLAQQLADYI NTcMFDPTTQ DATA SEQUENCE FYYDVRIEDK PLANGcAGKP IVERGKGPEG WSPLFNGAAT QANADAVVKV DATA SEQUENCE MLDPKEFNTF VPLGTAALTN PAFGADIYWR GRVWVDQFWF GLKGMERYGY DATA SEQUENCE RDDALKLADT FFRHAKGLTA DGPIQENYNP LTGAQQGAPN FSWSAAHLYM DATA SEQUENCE LYNDFFRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.665 177.584 0.136 0.000 1.274 2 A CA 0.000 52.182 52.037 0.241 0.000 0.836 2 A CB 0.000 19.114 19.000 0.191 0.000 0.831 3 D N 1.441 121.869 120.400 0.047 0.000 2.351 3 D HA -0.085 4.559 4.640 0.007 0.000 0.216 3 D C 0.619 176.835 176.300 -0.141 0.000 0.968 3 D CA 0.806 54.790 54.000 -0.026 0.000 0.899 3 D CB -0.104 40.682 40.800 -0.023 0.000 0.907 3 D HN 0.499 nan 8.370 nan 0.000 0.514 4 N N 0.077 118.624 118.700 -0.255 0.000 2.398 4 N HA -0.071 4.673 4.740 0.007 0.000 0.188 4 N C -0.325 174.714 175.510 -0.785 0.000 1.122 4 N CA 0.260 52.992 53.050 -0.530 0.000 0.866 4 N CB 0.268 38.346 38.487 -0.683 0.000 0.970 4 N HN 0.289 nan 8.380 nan 0.000 0.462 5 Y N 0.847 121.145 120.300 -0.004 0.000 2.562 5 Y HA 0.339 4.893 4.550 0.007 0.000 0.363 5 Y C -0.097 175.799 175.900 -0.007 0.000 0.991 5 Y CA -0.798 57.304 58.100 0.003 0.000 1.121 5 Y CB 0.270 38.745 38.460 0.025 0.000 1.159 5 Y HN -0.348 nan 8.280 nan 0.000 0.651 6 K N 1.847 122.265 120.400 0.029 0.000 2.205 6 K HA 0.193 4.518 4.320 0.007 0.000 0.279 6 K C 0.126 176.767 176.600 0.067 0.000 1.027 6 K CA -0.468 55.827 56.287 0.013 0.000 0.932 6 K CB 0.455 32.851 32.500 -0.173 0.000 1.032 6 K HN 0.447 nan 8.250 nan 0.000 0.466 7 N N 1.107 119.872 118.700 0.108 0.000 2.725 7 N HA -0.178 4.566 4.740 0.007 0.000 0.251 7 N C 0.706 176.274 175.510 0.096 0.000 1.031 7 N CA 0.382 53.494 53.050 0.103 0.000 0.720 7 N CB -1.513 37.034 38.487 0.099 0.000 0.930 7 N HN 0.319 nan 8.380 nan 0.000 0.543 8 V N -0.486 119.490 119.914 0.104 0.000 2.392 8 V HA -0.104 4.020 4.120 0.007 0.000 0.249 8 V C 1.409 177.561 176.094 0.097 0.000 1.059 8 V CA 1.577 63.941 62.300 0.106 0.000 1.051 8 V CB -0.043 31.842 31.823 0.103 0.000 0.658 8 V HN 0.397 nan 8.190 nan 0.000 0.455 9 I N -0.044 120.586 120.570 0.100 0.000 2.569 9 I HA 0.303 4.478 4.170 0.007 0.000 0.296 9 I C -0.162 176.025 176.117 0.118 0.000 1.028 9 I CA -0.641 60.725 61.300 0.110 0.000 1.082 9 I CB 1.717 39.793 38.000 0.127 0.000 1.264 9 I HN 0.012 nan 8.210 nan 0.000 0.429 10 N N 5.221 123.994 118.700 0.121 0.000 2.416 10 N HA 0.108 4.852 4.740 0.007 0.000 0.265 10 N C 0.012 175.621 175.510 0.165 0.000 1.195 10 N CA 0.411 53.540 53.050 0.131 0.000 0.943 10 N CB 0.446 39.009 38.487 0.127 0.000 1.115 10 N HN 0.501 nan 8.380 nan 0.000 0.481 11 R N 1.265 121.860 120.500 0.158 0.000 2.586 11 R HA 0.098 4.443 4.340 0.007 0.000 0.336 11 R C 0.175 176.573 176.300 0.162 0.000 1.060 11 R CA -0.263 55.949 56.100 0.187 0.000 1.079 11 R CB 0.195 30.601 30.300 0.175 0.000 1.317 11 R HN 0.581 nan 8.270 nan 0.000 0.568 12 T N -1.837 112.799 114.554 0.136 0.000 2.874 12 T HA 0.739 5.093 4.350 0.007 0.000 0.281 12 T C 0.524 175.223 174.700 -0.002 0.000 0.994 12 T CA -0.421 61.718 62.100 0.064 0.000 1.015 12 T CB 2.112 71.014 68.868 0.057 0.000 1.028 12 T HN 0.240 nan 8.240 nan 0.000 0.523 13 G N -0.846 107.826 108.800 -0.215 0.000 2.343 13 G HA2 0.565 4.529 3.960 0.007 0.000 0.298 13 G HA3 0.565 4.529 3.960 0.007 0.000 0.298 13 G C -1.139 173.304 174.900 -0.761 0.000 1.644 13 G CA -0.436 44.219 45.100 -0.742 0.000 0.958 13 G HN 1.308 nan 8.290 nan 0.000 0.702 14 A N 2.095 124.434 122.820 -0.802 0.000 2.893 14 A HA 0.811 5.135 4.320 0.007 0.000 0.333 14 A C -2.475 174.840 177.584 -0.448 0.000 1.152 14 A CA -1.329 50.425 52.037 -0.473 0.000 0.782 14 A CB 0.962 19.823 19.000 -0.232 0.000 1.108 14 A HN 0.435 nan 8.150 nan 0.000 0.469 15 P HA 0.087 nan 4.420 nan 0.000 0.265 15 P C 0.222 177.429 177.300 -0.155 0.000 1.187 15 P CA 0.407 63.306 63.100 -0.335 0.000 0.766 15 P CB 0.713 31.852 31.700 -0.935 0.000 0.820 16 Q N 0.851 120.641 119.800 -0.017 0.000 2.185 16 Q HA 0.191 4.535 4.340 0.007 0.000 0.234 16 Q C -0.481 175.230 176.000 -0.481 0.000 0.819 16 Q CA 0.391 56.053 55.803 -0.235 0.000 0.961 16 Q CB 0.518 29.081 28.738 -0.291 0.000 1.140 16 Q HN 0.571 nan 8.270 nan 0.000 0.492 17 Y N -0.962 119.347 120.300 0.015 0.000 2.545 17 Y HA 0.310 4.859 4.550 -0.001 0.000 0.348 17 Y C 1.145 177.098 175.900 0.089 0.000 1.002 17 Y CA -0.726 57.390 58.100 0.026 0.000 1.039 17 Y CB 1.534 39.984 38.460 -0.017 0.000 1.271 17 Y HN -0.191 nan 8.280 nan 0.000 0.467 18 M N 0.907 120.642 119.600 0.227 0.000 2.159 18 M HA -0.069 4.415 4.480 0.007 0.000 0.263 18 M C -0.147 176.258 176.300 0.176 0.000 1.063 18 M CA 1.990 57.419 55.300 0.215 0.000 1.110 18 M CB 0.078 32.767 32.600 0.147 0.000 1.374 18 M HN 0.554 nan 8.290 nan 0.000 0.411 19 K N 1.289 121.674 120.400 -0.025 0.000 2.459 19 K HA 0.122 4.446 4.320 0.007 0.000 0.218 19 K C -1.095 175.244 176.600 -0.435 0.000 1.067 19 K CA -0.236 55.742 56.287 -0.516 0.000 1.045 19 K CB 0.399 32.290 32.500 -1.014 0.000 1.623 19 K HN -0.008 nan 8.250 nan 0.000 0.509 20 D N 2.346 122.789 120.400 0.072 0.000 2.563 20 D HA 0.032 4.676 4.640 0.007 0.000 0.222 20 D C -0.533 175.864 176.300 0.162 0.000 1.145 20 D CA -0.196 53.876 54.000 0.119 0.000 1.001 20 D CB 0.154 41.122 40.800 0.280 0.000 1.049 20 D HN 0.216 nan 8.370 nan 0.000 0.515 21 Y N 1.243 121.523 120.300 -0.034 0.000 2.300 21 Y HA 0.162 4.717 4.550 0.008 0.000 0.328 21 Y C 1.196 177.037 175.900 -0.100 0.000 1.270 21 Y CA -1.377 56.678 58.100 -0.075 0.000 1.352 21 Y CB 0.429 38.816 38.460 -0.121 0.000 1.286 21 Y HN 0.270 nan 8.280 nan 0.000 0.536 22 D N -0.895 119.553 120.400 0.080 0.000 2.507 22 D HA 0.023 4.667 4.640 0.007 0.000 0.280 22 D C 0.962 177.296 176.300 0.057 0.000 1.219 22 D CA -0.413 53.612 54.000 0.042 0.000 1.085 22 D CB -0.225 40.601 40.800 0.044 0.000 1.134 22 D HN 0.464 nan 8.370 nan 0.000 0.583 23 Y N -0.320 119.944 120.300 -0.060 0.000 2.241 23 Y HA -0.124 4.429 4.550 0.004 0.000 0.286 23 Y C 0.773 176.604 175.900 -0.116 0.000 1.166 23 Y CA 1.715 59.772 58.100 -0.071 0.000 1.203 23 Y CB -0.043 38.383 38.460 -0.056 0.000 0.977 23 Y HN 0.295 nan 8.280 nan 0.000 0.529 24 D N 0.216 120.517 120.400 -0.165 0.000 2.491 24 D HA 0.061 4.705 4.640 0.007 0.000 0.228 24 D C -0.308 175.529 176.300 -0.773 0.000 1.183 24 D CA 0.465 54.231 54.000 -0.389 0.000 0.827 24 D CB -0.131 40.569 40.800 -0.167 0.000 0.989 24 D HN 0.271 nan 8.370 nan 0.000 0.494 25 D N 0.771 120.788 120.400 -0.638 0.000 3.041 25 D HA -0.160 4.485 4.640 0.007 0.000 0.220 25 D C -0.112 175.314 176.300 -1.458 0.000 1.157 25 D CA 0.867 54.264 54.000 -1.004 0.000 0.876 25 D CB -1.401 38.871 40.800 -0.879 0.000 1.107 25 D HN 0.500 nan 8.370 nan 0.000 0.422 26 H N 0.319 119.056 119.070 -0.555 0.000 2.479 26 H HA 0.286 4.847 4.556 0.008 0.000 0.335 26 H C 1.039 176.303 175.328 -0.107 0.000 1.142 26 H CA -0.375 55.448 56.048 -0.375 0.000 1.234 26 H CB 0.809 30.462 29.762 -0.182 0.000 1.503 26 H HN -0.059 nan 8.280 nan 0.000 0.510 27 Q N 2.171 122.079 119.800 0.180 0.000 2.269 27 Q HA -0.057 4.287 4.340 0.007 0.000 0.300 27 Q C 1.319 177.445 176.000 0.210 0.000 1.070 27 Q CA 0.223 56.239 55.803 0.355 0.000 0.957 27 Q CB 0.739 29.690 28.738 0.356 0.000 1.131 27 Q HN 0.702 nan 8.270 nan 0.000 0.377 28 R N 1.097 121.617 120.500 0.034 0.000 2.323 28 R HA 0.067 4.412 4.340 0.007 0.000 0.198 28 R C -0.253 175.817 176.300 -0.384 0.000 0.988 28 R CA 0.517 56.468 56.100 -0.248 0.000 1.041 28 R CB 0.134 30.163 30.300 -0.453 0.000 0.926 28 R HN 0.168 nan 8.270 nan 0.000 0.476 29 F N 0.637 120.762 119.950 0.291 0.000 2.541 29 F HA 0.398 4.928 4.527 0.005 0.000 0.331 29 F C 0.230 176.211 175.800 0.303 0.000 1.057 29 F CA -1.662 56.498 58.000 0.266 0.000 0.975 29 F CB 1.015 40.168 39.000 0.255 0.000 1.246 29 F HN -0.141 nan 8.300 nan 0.000 0.484 30 N N 1.981 120.961 118.700 0.466 0.000 2.898 30 N HA 0.297 5.042 4.740 0.007 0.000 0.245 30 N C -2.916 172.822 175.510 0.380 0.000 1.185 30 N CA -1.312 51.960 53.050 0.369 0.000 0.879 30 N CB 0.959 39.611 38.487 0.276 0.000 1.157 30 N HN 0.113 nan 8.380 nan 0.000 0.503 31 P HA 0.085 nan 4.420 nan 0.000 0.272 31 P C -0.360 177.096 177.300 0.259 0.000 1.223 31 P CA -0.258 63.005 63.100 0.272 0.000 0.784 31 P CB 0.435 32.192 31.700 0.095 0.000 0.923 32 F N 3.629 123.565 119.950 -0.023 0.000 2.424 32 F HA 0.509 5.040 4.527 0.006 0.000 0.356 32 F C -1.247 174.441 175.800 -0.187 0.000 1.110 32 F CA -0.752 57.266 58.000 0.029 0.000 1.161 32 F CB -0.354 38.703 39.000 0.096 0.000 1.115 32 F HN 0.118 nan 8.300 nan 0.000 0.507 33 F N 4.383 124.003 119.950 -0.550 0.000 2.563 33 F HA 0.482 5.013 4.527 0.006 0.000 0.316 33 F C -0.432 174.627 175.800 -1.235 0.000 1.076 33 F CA -0.778 56.632 58.000 -0.985 0.000 0.921 33 F CB 1.984 40.652 39.000 -0.553 0.000 1.209 33 F HN 0.421 nan 8.300 nan 0.000 0.462 34 D N 0.644 120.082 120.400 -1.604 0.000 2.622 34 D HA 0.449 5.093 4.640 0.007 0.000 0.255 34 D C -0.232 175.515 176.300 -0.921 0.000 1.246 34 D CA -0.361 53.106 54.000 -0.888 0.000 0.795 34 D CB 1.642 42.204 40.800 -0.396 0.000 1.369 34 D HN 0.345 nan 8.370 nan 0.000 0.425 35 L N 1.883 122.617 121.223 -0.816 0.000 4.625 35 L HA -0.112 4.232 4.340 0.007 0.000 0.428 35 L C 1.190 177.316 176.870 -1.240 0.000 1.129 35 L CA 2.051 56.346 54.840 -0.907 0.000 0.978 35 L CB -1.600 40.363 42.059 -0.161 0.000 2.043 35 L HN 1.074 nan 8.230 nan 0.000 0.847 36 G N -2.203 105.581 108.800 -1.692 0.000 2.160 36 G HA2 -0.004 3.961 3.960 0.007 0.000 0.251 36 G HA3 -0.004 3.961 3.960 0.007 0.000 0.251 36 G C 0.718 175.320 174.900 -0.498 0.000 1.008 36 G CA 0.715 45.093 45.100 -1.203 0.000 0.724 36 G HN 1.662 nan 8.290 nan 0.000 0.514 37 A N -1.186 121.378 122.820 -0.427 0.000 2.366 37 A HA 0.534 4.858 4.320 0.007 0.000 0.250 37 A C 0.501 178.080 177.584 -0.010 0.000 1.099 37 A CA 0.715 52.733 52.037 -0.032 0.000 0.794 37 A CB 0.334 19.331 19.000 -0.006 0.000 1.056 37 A HN 0.822 nan 8.150 nan 0.000 0.499 38 W N 0.666 122.094 121.300 0.213 0.000 2.862 38 W HA 0.284 4.948 4.660 0.007 0.000 0.426 38 W C 0.417 177.255 176.519 0.530 0.000 0.950 38 W CA 0.278 57.807 57.345 0.308 0.000 2.150 38 W CB 0.117 29.724 29.460 0.245 0.000 1.161 38 W HN 0.795 nan 8.180 nan 0.000 0.696 39 H N -2.075 117.302 119.070 0.510 0.000 3.046 39 H HA 0.782 5.343 4.556 0.007 0.000 0.361 39 H C -0.555 174.702 175.328 -0.118 0.000 1.235 39 H CA -0.891 55.327 56.048 0.284 0.000 1.146 39 H CB 1.273 31.198 29.762 0.271 0.000 1.859 39 H HN -0.044 nan 8.280 nan 0.000 0.548 40 G N 0.623 109.011 108.800 -0.687 0.000 2.730 40 G HA2 0.496 4.460 3.960 0.007 0.000 0.289 40 G HA3 0.496 4.460 3.960 0.007 0.000 0.289 40 G C -1.513 172.904 174.900 -0.805 0.000 1.341 40 G CA -0.641 43.641 45.100 -1.363 0.000 0.932 40 G HN 0.706 nan 8.290 nan 0.000 0.481 41 H N -0.863 118.115 119.070 -0.153 0.000 2.895 41 H HA 0.552 5.112 4.556 0.007 0.000 0.373 41 H C -0.727 174.701 175.328 0.167 0.000 1.174 41 H CA -0.351 55.748 56.048 0.084 0.000 1.144 41 H CB 2.239 32.081 29.762 0.133 0.000 1.793 41 H HN 0.229 nan 8.280 nan 0.000 0.551 42 L N 1.276 122.698 121.223 0.331 0.000 2.286 42 L HA 0.464 4.809 4.340 0.007 0.000 0.265 42 L C -0.197 176.844 176.870 0.285 0.000 1.012 42 L CA -1.005 53.985 54.840 0.250 0.000 0.818 42 L CB 1.833 43.961 42.059 0.115 0.000 1.337 42 L HN 0.188 nan 8.230 nan 0.000 0.438 43 L N 2.269 123.608 121.223 0.193 0.000 2.343 43 L HA 0.457 4.802 4.340 0.007 0.000 0.275 43 L C -2.143 174.736 176.870 0.014 0.000 1.056 43 L CA -1.724 53.210 54.840 0.156 0.000 0.804 43 L CB 1.759 43.892 42.059 0.122 0.000 1.203 43 L HN 0.286 nan 8.230 nan 0.000 0.440 44 P HA 0.075 nan 4.420 nan 0.000 0.272 44 P C -1.152 176.107 177.300 -0.069 0.000 1.223 44 P CA -0.200 62.832 63.100 -0.114 0.000 0.784 44 P CB 1.117 32.699 31.700 -0.197 0.000 0.923 45 D N -0.019 120.344 120.400 -0.061 0.000 2.498 45 D HA 0.296 4.940 4.640 0.007 0.000 0.223 45 D C 0.960 177.243 176.300 -0.029 0.000 1.125 45 D CA -0.080 53.901 54.000 -0.032 0.000 0.835 45 D CB 0.223 41.010 40.800 -0.022 0.000 1.086 45 D HN 0.512 nan 8.370 nan 0.000 0.510 46 G N -0.234 108.540 108.800 -0.043 0.000 2.706 46 G HA2 0.412 4.376 3.960 0.007 0.000 0.307 46 G HA3 0.412 4.376 3.960 0.007 0.000 0.307 46 G C -2.297 172.577 174.900 -0.043 0.000 1.307 46 G CA -0.998 44.081 45.100 -0.035 0.000 0.790 46 G HN -0.285 nan 8.290 nan 0.000 0.503 47 P HA -0.018 nan 4.420 nan 0.000 0.220 47 P C 1.183 178.458 177.300 -0.042 0.000 1.148 47 P CA 1.129 64.207 63.100 -0.036 0.000 0.803 47 P CB 0.090 31.771 31.700 -0.032 0.000 0.782 48 N N -1.869 116.805 118.700 -0.043 0.000 2.463 48 N HA -0.024 4.720 4.740 0.007 0.000 0.181 48 N C 0.913 176.390 175.510 -0.055 0.000 1.078 48 N CA 1.108 54.131 53.050 -0.045 0.000 0.902 48 N CB 0.013 38.475 38.487 -0.041 0.000 0.970 48 N HN 0.269 nan 8.380 nan 0.000 0.451 49 T N -2.683 111.830 114.554 -0.068 0.000 2.975 49 T HA 0.166 4.521 4.350 0.007 0.000 0.261 49 T C 0.598 175.229 174.700 -0.115 0.000 0.984 49 T CA -0.438 61.611 62.100 -0.085 0.000 0.911 49 T CB 0.100 68.911 68.868 -0.095 0.000 1.127 49 T HN 0.008 nan 8.240 nan 0.000 0.514 50 M N 2.408 121.943 119.600 -0.107 0.000 2.290 50 M HA 0.369 4.854 4.480 0.007 0.000 0.356 50 M C 1.199 177.410 176.300 -0.148 0.000 1.448 50 M CA 1.994 57.213 55.300 -0.135 0.000 0.993 50 M CB -0.227 32.323 32.600 -0.084 0.000 1.934 50 M HN 0.588 nan 8.290 nan 0.000 0.461 51 G N 2.673 111.338 108.800 -0.225 0.000 2.211 51 G HA2 -0.069 3.895 3.960 0.007 0.000 0.201 51 G HA3 -0.069 3.895 3.960 0.007 0.000 0.201 51 G C -0.085 174.715 174.900 -0.167 0.000 0.997 51 G CA -0.304 44.675 45.100 -0.202 0.000 0.652 51 G HN 1.303 nan 8.290 nan 0.000 0.500 52 G N -1.093 107.560 108.800 -0.245 0.000 2.682 52 G HA2 0.625 4.589 3.960 0.007 0.000 0.290 52 G HA3 0.625 4.589 3.960 0.007 0.000 0.290 52 G C -1.402 173.256 174.900 -0.402 0.000 1.425 52 G CA -0.892 44.098 45.100 -0.182 0.000 0.807 52 G HN 0.456 nan 8.290 nan 0.000 0.482 53 F N 2.513 122.496 119.950 0.055 0.000 2.293 53 F HA 0.379 4.910 4.527 0.007 0.000 0.370 53 F C -1.483 174.365 175.800 0.080 0.000 1.090 53 F CA -1.757 56.272 58.000 0.048 0.000 1.133 53 F CB 1.754 40.768 39.000 0.025 0.000 1.360 53 F HN 0.133 nan 8.300 nan 0.000 0.489 54 P HA 0.174 nan 4.420 nan 0.000 0.274 54 P C 0.384 177.734 177.300 0.083 0.000 1.260 54 P CA 0.005 63.148 63.100 0.070 0.000 0.793 54 P CB 0.921 32.595 31.700 -0.044 0.000 1.048 55 G N -0.801 108.008 108.800 0.014 0.000 2.324 55 G HA2 -0.167 3.797 3.960 0.007 0.000 0.292 55 G HA3 -0.167 3.797 3.960 0.007 0.000 0.292 55 G C -0.077 174.981 174.900 0.262 0.000 1.079 55 G CA -0.287 44.844 45.100 0.053 0.000 1.026 55 G HN 0.475 nan 8.290 nan 0.000 0.506 56 V N 0.405 120.396 119.914 0.127 0.000 2.458 56 V HA 0.388 4.512 4.120 0.007 0.000 0.287 56 V C 1.093 177.185 176.094 -0.003 0.000 1.009 56 V CA 0.846 63.119 62.300 -0.045 0.000 1.091 56 V CB 0.766 32.383 31.823 -0.344 0.000 0.960 56 V HN 1.375 nan 8.190 nan 0.000 0.476 57 A N 7.584 130.353 122.820 -0.084 0.000 2.258 57 A HA 0.752 5.077 4.320 0.007 0.000 0.316 57 A C -0.573 176.952 177.584 -0.098 0.000 1.279 57 A CA -0.572 51.365 52.037 -0.166 0.000 0.876 57 A CB 0.428 19.311 19.000 -0.196 0.000 1.170 57 A HN 0.794 nan 8.150 nan 0.000 0.520 58 L N 3.185 124.307 121.223 -0.169 0.000 2.295 58 L HA 0.376 4.720 4.340 0.007 0.000 0.285 58 L C -0.410 176.473 176.870 0.021 0.000 1.035 58 L CA -0.422 54.311 54.840 -0.177 0.000 0.806 58 L CB 1.423 43.160 42.059 -0.536 0.000 1.214 58 L HN 0.581 nan 8.230 nan 0.000 0.426 59 L N 3.503 124.888 121.223 0.270 0.000 2.358 59 L HA 0.165 4.509 4.340 0.007 0.000 0.274 59 L C 0.643 177.736 176.870 0.373 0.000 1.136 59 L CA -0.366 54.639 54.840 0.275 0.000 0.970 59 L CB 0.298 42.491 42.059 0.224 0.000 1.314 59 L HN 0.669 nan 8.230 nan 0.000 0.427 60 T N -1.124 113.522 114.554 0.153 0.000 4.219 60 T HA 0.177 4.531 4.350 0.007 0.000 0.263 60 T C 0.750 175.407 174.700 -0.072 0.000 1.217 60 T CA -0.336 61.779 62.100 0.026 0.000 1.145 60 T CB -0.026 68.796 68.868 -0.077 0.000 1.298 60 T HN 0.745 nan 8.240 nan 0.000 0.999 61 E N 1.139 121.232 120.200 -0.179 0.000 4.609 61 E HA -0.318 4.036 4.350 0.007 0.000 0.178 61 E C 0.805 177.448 176.600 0.072 0.000 1.274 61 E CA 2.202 58.368 56.400 -0.391 0.000 2.344 61 E CB -1.113 28.109 29.700 -0.797 0.000 1.833 61 E HN 0.802 nan 8.360 nan 0.000 0.404 62 E N -1.309 118.837 120.200 -0.090 0.000 2.743 62 E HA 0.227 4.581 4.350 0.007 0.000 0.222 62 E C -0.946 175.238 176.600 -0.693 0.000 0.959 62 E CA -0.058 56.150 56.400 -0.321 0.000 1.198 62 E CB 0.879 30.304 29.700 -0.457 0.000 1.100 62 E HN 0.174 nan 8.360 nan 0.000 0.518 63 Y N -0.319 120.004 120.300 0.039 0.000 2.615 63 Y HA 0.448 5.003 4.550 0.008 0.000 0.341 63 Y C -0.728 175.148 175.900 -0.039 0.000 1.089 63 Y CA -1.139 56.953 58.100 -0.013 0.000 1.049 63 Y CB 1.436 39.868 38.460 -0.046 0.000 1.296 63 Y HN -0.117 nan 8.280 nan 0.000 0.470 64 I N 2.574 123.211 120.570 0.112 0.000 2.354 64 I HA 0.479 4.654 4.170 0.007 0.000 0.292 64 I C -1.429 174.663 176.117 -0.042 0.000 0.989 64 I CA -0.404 60.892 61.300 -0.007 0.000 1.188 64 I CB 0.468 38.432 38.000 -0.059 0.000 1.342 64 I HN 0.629 nan 8.210 nan 0.000 0.457 65 N N 6.832 125.462 118.700 -0.118 0.000 2.310 65 N HA 0.353 5.097 4.740 0.007 0.000 0.292 65 N C -1.333 174.077 175.510 -0.167 0.000 1.049 65 N CA -0.359 52.625 53.050 -0.111 0.000 0.849 65 N CB 1.898 40.337 38.487 -0.081 0.000 1.532 65 N HN 0.342 nan 8.380 nan 0.000 0.479 66 F N 1.614 121.589 119.950 0.042 0.000 2.443 66 F HA 0.201 4.733 4.527 0.009 0.000 0.353 66 F C 1.944 177.719 175.800 -0.040 0.000 1.101 66 F CA -0.136 57.873 58.000 0.014 0.000 1.226 66 F CB 1.020 40.063 39.000 0.073 0.000 1.140 66 F HN 0.454 nan 8.300 nan 0.000 0.557 67 M N 2.395 122.036 119.600 0.069 0.000 2.552 67 M HA 0.407 4.891 4.480 0.007 0.000 0.264 67 M C 0.010 176.273 176.300 -0.061 0.000 1.159 67 M CA 0.843 56.103 55.300 -0.067 0.000 1.176 67 M CB 0.397 32.815 32.600 -0.304 0.000 1.327 67 M HN 0.622 nan 8.290 nan 0.000 0.481 68 A N -1.334 121.458 122.820 -0.047 0.000 2.601 68 A HA 0.518 4.842 4.320 0.007 0.000 0.291 68 A C -0.085 177.503 177.584 0.006 0.000 1.075 68 A CA -0.402 51.624 52.037 -0.017 0.000 0.671 68 A CB 0.910 19.885 19.000 -0.042 0.000 1.277 68 A HN 0.146 nan 8.150 nan 0.000 0.417 69 S N -0.256 115.446 115.700 0.003 0.000 2.338 69 S HA 0.162 4.637 4.470 0.007 0.000 0.197 69 S C 0.661 175.276 174.600 0.024 0.000 0.990 69 S CA 0.479 58.650 58.200 -0.048 0.000 0.920 69 S CB -0.347 62.804 63.200 -0.081 0.000 0.903 69 S HN 0.719 nan 8.310 nan 0.000 0.542 70 N N 0.074 118.804 118.700 0.050 0.000 2.455 70 N HA 0.426 5.170 4.740 0.007 0.000 0.280 70 N C -1.642 174.002 175.510 0.222 0.000 1.055 70 N CA -0.041 53.057 53.050 0.081 0.000 0.961 70 N CB 0.867 39.359 38.487 0.008 0.000 1.121 70 N HN 0.241 nan 8.380 nan 0.000 0.476 71 F N 2.009 121.998 119.950 0.064 0.000 2.991 71 F HA 0.149 4.679 4.527 0.006 0.000 0.355 71 F C -0.691 175.265 175.800 0.259 0.000 1.262 71 F CA -0.559 57.545 58.000 0.173 0.000 1.127 71 F CB 0.848 39.944 39.000 0.161 0.000 1.447 71 F HN 0.482 nan 8.300 nan 0.000 0.584 72 D N 2.812 123.273 120.400 0.101 0.000 2.914 72 D HA -0.214 4.431 4.640 0.007 0.000 0.226 72 D C -0.158 176.365 176.300 0.372 0.000 1.112 72 D CA 0.606 54.806 54.000 0.333 0.000 0.778 72 D CB -0.413 40.616 40.800 0.380 0.000 1.095 72 D HN 0.685 nan 8.370 nan 0.000 0.436 73 R N 0.621 121.241 120.500 0.200 0.000 2.298 73 R HA 0.428 4.772 4.340 0.007 0.000 0.310 73 R C -0.370 176.003 176.300 0.121 0.000 1.068 73 R CA -0.585 55.590 56.100 0.126 0.000 0.957 73 R CB 0.499 30.809 30.300 0.016 0.000 1.003 73 R HN 0.250 nan 8.270 nan 0.000 0.454 74 L N 4.369 125.624 121.223 0.053 0.000 2.292 74 L HA 0.383 4.728 4.340 0.007 0.000 0.284 74 L C -0.706 176.074 176.870 -0.150 0.000 1.065 74 L CA 0.270 54.999 54.840 -0.185 0.000 0.806 74 L CB 1.699 43.635 42.059 -0.204 0.000 1.175 74 L HN 0.794 nan 8.230 nan 0.000 0.431 75 T N 2.201 116.669 114.554 -0.144 0.000 2.876 75 T HA 0.751 5.106 4.350 0.007 0.000 0.289 75 T C -0.648 174.062 174.700 0.016 0.000 1.014 75 T CA -0.781 61.313 62.100 -0.009 0.000 0.986 75 T CB 1.493 70.435 68.868 0.123 0.000 1.021 75 T HN 0.373 nan 8.240 nan 0.000 0.458 76 V N 2.217 122.129 119.914 -0.004 0.000 2.581 76 V HA 0.658 4.782 4.120 0.007 0.000 0.303 76 V C -1.183 174.769 176.094 -0.237 0.000 1.041 76 V CA -0.835 61.480 62.300 0.025 0.000 0.907 76 V CB 1.427 33.355 31.823 0.175 0.000 0.994 76 V HN 0.956 nan 8.190 nan 0.000 0.442 77 W N 2.639 123.891 121.300 -0.080 0.000 2.785 77 W HA 0.728 5.392 4.660 0.006 0.000 0.333 77 W C -0.603 175.879 176.519 -0.061 0.000 1.062 77 W CA -0.786 56.514 57.345 -0.075 0.000 1.233 77 W CB 1.713 31.136 29.460 -0.063 0.000 1.413 77 W HN 0.532 nan 8.180 nan 0.000 0.489 78 Q N 0.733 120.595 119.800 0.104 0.000 2.309 78 Q HA 0.448 4.793 4.340 0.007 0.000 0.270 78 Q C -0.605 175.440 176.000 0.074 0.000 1.023 78 Q CA -0.885 54.954 55.803 0.059 0.000 0.758 78 Q CB 1.801 30.530 28.738 -0.016 0.000 1.247 78 Q HN 0.508 nan 8.270 nan 0.000 0.455 79 D N 2.764 123.219 120.400 0.091 0.000 2.689 79 D HA -0.185 4.459 4.640 0.007 0.000 0.237 79 D C 0.859 177.214 176.300 0.092 0.000 1.148 79 D CA 2.052 56.097 54.000 0.075 0.000 0.656 79 D CB -1.098 39.727 40.800 0.043 0.000 1.050 79 D HN 1.364 nan 8.370 nan 0.000 0.426 80 G N -0.029 108.858 108.800 0.145 0.000 2.189 80 G HA2 -0.388 3.577 3.960 0.007 0.000 0.267 80 G HA3 -0.388 3.577 3.960 0.007 0.000 0.267 80 G C 0.354 175.425 174.900 0.284 0.000 0.975 80 G CA 0.750 45.960 45.100 0.182 0.000 0.644 80 G HN 0.719 nan 8.290 nan 0.000 0.537 81 K N 0.364 120.891 120.400 0.212 0.000 2.292 81 K HA 0.506 4.830 4.320 0.007 0.000 0.257 81 K C 0.157 176.676 176.600 -0.135 0.000 0.940 81 K CA -0.888 55.443 56.287 0.072 0.000 0.811 81 K CB 0.881 33.368 32.500 -0.021 0.000 1.120 81 K HN 0.108 nan 8.250 nan 0.000 0.428 82 K N 3.179 123.247 120.400 -0.554 0.000 2.368 82 K HA 0.118 4.442 4.320 0.007 0.000 0.282 82 K C -0.669 175.521 176.600 -0.683 0.000 1.035 82 K CA -0.488 55.102 56.287 -1.162 0.000 0.973 82 K CB 0.843 32.347 32.500 -1.660 0.000 0.957 82 K HN 0.311 nan 8.250 nan 0.000 0.474 83 V N 4.060 123.568 119.914 -0.676 0.000 2.555 83 V HA -0.024 4.100 4.120 0.007 0.000 0.286 83 V C 0.029 175.629 176.094 -0.823 0.000 1.044 83 V CA -0.241 61.640 62.300 -0.698 0.000 1.026 83 V CB 1.099 32.426 31.823 -0.826 0.000 0.981 83 V HN 0.816 nan 8.190 nan 0.000 0.480 84 D N 4.109 124.123 120.400 -0.645 0.000 2.347 84 D HA 0.416 5.060 4.640 0.007 0.000 0.235 84 D C -0.714 175.295 176.300 -0.485 0.000 1.149 84 D CA -0.120 53.604 54.000 -0.461 0.000 0.850 84 D CB 0.365 41.000 40.800 -0.275 0.000 1.061 84 D HN 0.230 nan 8.370 nan 0.000 0.487 85 F N 1.509 121.382 119.950 -0.129 0.000 2.483 85 F HA 0.446 4.976 4.527 0.006 0.000 0.329 85 F C 0.941 176.691 175.800 -0.084 0.000 1.064 85 F CA -0.817 57.122 58.000 -0.103 0.000 0.986 85 F CB 1.757 40.692 39.000 -0.109 0.000 1.218 85 F HN 0.157 nan 8.300 nan 0.000 0.484 86 T N 0.713 115.362 114.554 0.157 0.000 2.895 86 T HA 0.675 5.029 4.350 0.007 0.000 0.283 86 T C -0.999 173.732 174.700 0.052 0.000 1.014 86 T CA -0.751 61.389 62.100 0.066 0.000 1.037 86 T CB 1.804 70.695 68.868 0.038 0.000 1.006 86 T HN 0.486 nan 8.240 nan 0.000 0.468 87 L N 0.988 122.221 121.223 0.016 0.000 2.331 87 L HA 0.703 5.047 4.340 0.007 0.000 0.275 87 L C -0.395 176.475 176.870 0.001 0.000 1.022 87 L CA -0.488 54.343 54.840 -0.014 0.000 0.812 87 L CB 1.607 43.643 42.059 -0.038 0.000 1.257 87 L HN 0.941 nan 8.230 nan 0.000 0.435 88 E N 3.709 123.909 120.200 -0.001 0.000 2.281 88 E HA 0.723 5.077 4.350 0.007 0.000 0.266 88 E C -1.971 174.651 176.600 0.037 0.000 0.893 88 E CA -0.696 55.736 56.400 0.053 0.000 0.798 88 E CB 1.580 31.335 29.700 0.091 0.000 1.245 88 E HN 0.841 nan 8.360 nan 0.000 0.410 89 A N 3.822 126.680 122.820 0.065 0.000 2.414 89 A HA 0.789 5.113 4.320 0.007 0.000 0.306 89 A C -1.758 175.906 177.584 0.134 0.000 1.054 89 A CA -0.622 51.414 52.037 -0.001 0.000 0.724 89 A CB 0.813 19.790 19.000 -0.039 0.000 1.267 89 A HN 0.643 nan 8.150 nan 0.000 0.418 90 Y N -0.714 119.607 120.300 0.036 0.000 2.641 90 Y HA 0.729 5.283 4.550 0.007 0.000 0.333 90 Y C -0.292 175.609 175.900 0.003 0.000 1.174 90 Y CA -0.648 57.465 58.100 0.021 0.000 1.057 90 Y CB 0.536 39.001 38.460 0.008 0.000 1.322 90 Y HN 0.988 nan 8.280 nan 0.000 0.457 91 S N 2.688 118.504 115.700 0.193 0.000 2.681 91 S HA 0.935 5.410 4.470 0.007 0.000 0.299 91 S C -0.576 174.088 174.600 0.107 0.000 1.113 91 S CA -0.376 57.835 58.200 0.019 0.000 1.013 91 S CB 1.755 64.926 63.200 -0.049 0.000 1.076 91 S HN 1.231 nan 8.310 nan 0.000 0.534 92 I N -3.635 116.896 120.570 -0.065 0.000 3.102 92 I HA 0.606 4.781 4.170 0.007 0.000 0.310 92 I C -3.308 172.667 176.117 -0.236 0.000 1.246 92 I CA -3.314 57.970 61.300 -0.027 0.000 0.979 92 I CB 1.802 39.831 38.000 0.049 0.000 1.267 92 I HN 0.283 nan 8.210 nan 0.000 0.451 93 P HA 0.183 nan 4.420 nan 0.000 0.261 93 P C 0.684 177.356 177.300 -1.045 0.000 1.203 93 P CA 1.178 64.021 63.100 -0.429 0.000 0.767 93 P CB 0.445 32.198 31.700 0.089 0.000 0.785 94 G N 2.200 109.930 108.800 -1.784 0.000 2.176 94 G HA2 0.034 3.998 3.960 0.007 0.000 0.232 94 G HA3 0.034 3.998 3.960 0.007 0.000 0.232 94 G C 0.118 174.642 174.900 -0.625 0.000 0.986 94 G CA -0.068 44.000 45.100 -1.720 0.000 0.643 94 G HN 0.892 nan 8.290 nan 0.000 0.522 95 A N -0.854 121.465 122.820 -0.835 0.000 2.601 95 A HA 0.782 5.106 4.320 0.007 0.000 0.291 95 A C -1.216 175.962 177.584 -0.677 0.000 1.075 95 A CA -0.530 51.136 52.037 -0.618 0.000 0.671 95 A CB 0.956 19.813 19.000 -0.238 0.000 1.277 95 A HN 0.865 nan 8.150 nan 0.000 0.417 96 L N 1.059 121.990 121.223 -0.486 0.000 2.346 96 L HA 0.750 5.094 4.340 0.007 0.000 0.276 96 L C -0.975 175.763 176.870 -0.220 0.000 1.006 96 L CA -0.981 53.664 54.840 -0.326 0.000 0.817 96 L CB 1.814 43.698 42.059 -0.291 0.000 1.272 96 L HN 0.514 nan 8.230 nan 0.000 0.421 97 V N 2.591 122.377 119.914 -0.214 0.000 2.876 97 V HA 0.521 4.645 4.120 0.007 0.000 0.312 97 V C -0.862 175.071 176.094 -0.269 0.000 1.085 97 V CA -0.604 61.532 62.300 -0.274 0.000 0.945 97 V CB 2.211 33.634 31.823 -0.666 0.000 1.017 97 V HN 0.884 nan 8.190 nan 0.000 0.428 98 Q N 2.393 122.117 119.800 -0.125 0.000 2.284 98 Q HA 0.666 5.011 4.340 0.007 0.000 0.269 98 Q C -1.810 174.104 176.000 -0.143 0.000 1.026 98 Q CA -1.040 54.657 55.803 -0.177 0.000 0.831 98 Q CB 2.693 31.266 28.738 -0.275 0.000 1.322 98 Q HN 0.624 nan 8.270 nan 0.000 0.419 99 K N 3.127 123.461 120.400 -0.111 0.000 2.323 99 K HA 0.545 4.870 4.320 0.007 0.000 0.259 99 K C -0.997 175.530 176.600 -0.122 0.000 0.947 99 K CA -0.547 55.686 56.287 -0.091 0.000 0.819 99 K CB 1.775 34.267 32.500 -0.013 0.000 1.109 99 K HN 0.532 nan 8.250 nan 0.000 0.429 100 L N 2.558 123.654 121.223 -0.213 0.000 2.296 100 L HA 0.439 4.784 4.340 0.007 0.000 0.286 100 L C -0.344 176.482 176.870 -0.073 0.000 1.023 100 L CA -0.674 53.994 54.840 -0.287 0.000 0.812 100 L CB 1.762 43.284 42.059 -0.896 0.000 1.223 100 L HN 0.581 nan 8.230 nan 0.000 0.421 101 T N 2.204 116.845 114.554 0.146 0.000 2.824 101 T HA 0.809 5.163 4.350 0.007 0.000 0.282 101 T C -0.303 174.558 174.700 0.269 0.000 0.993 101 T CA -0.523 61.694 62.100 0.196 0.000 0.967 101 T CB 2.097 71.017 68.868 0.087 0.000 0.960 101 T HN 0.728 nan 8.240 nan 0.000 0.441 102 A N 2.038 124.975 122.820 0.194 0.000 2.583 102 A HA 0.696 5.020 4.320 0.007 0.000 0.289 102 A C 1.069 178.646 177.584 -0.012 0.000 1.151 102 A CA -0.793 51.239 52.037 -0.009 0.000 0.695 102 A CB 1.363 20.195 19.000 -0.280 0.000 1.290 102 A HN 0.749 nan 8.150 nan 0.000 0.419 103 K N -0.330 120.033 120.400 -0.061 0.000 1.973 103 K HA -0.161 4.163 4.320 0.007 0.000 0.212 103 K C 0.363 176.948 176.600 -0.026 0.000 1.047 103 K CA 2.194 58.457 56.287 -0.039 0.000 0.937 103 K CB -0.136 32.331 32.500 -0.054 0.000 0.721 103 K HN 0.685 nan 8.250 nan 0.000 0.440 104 D N -0.108 120.266 120.400 -0.044 0.000 2.349 104 D HA 0.050 4.694 4.640 0.007 0.000 0.215 104 D C -0.149 176.152 176.300 0.001 0.000 1.016 104 D CA 0.315 54.300 54.000 -0.025 0.000 0.870 104 D CB 0.800 41.577 40.800 -0.039 0.000 0.917 104 D HN -0.028 nan 8.370 nan 0.000 0.524 105 V N 0.594 120.524 119.914 0.028 0.000 2.888 105 V HA 0.364 4.488 4.120 0.007 0.000 0.309 105 V C -0.867 175.364 176.094 0.228 0.000 1.114 105 V CA -0.884 61.484 62.300 0.113 0.000 0.940 105 V CB 2.479 34.391 31.823 0.149 0.000 1.021 105 V HN -0.213 nan 8.190 nan 0.000 0.426 106 Q N 1.657 121.546 119.800 0.148 0.000 2.421 106 Q HA 0.857 5.201 4.340 0.007 0.000 0.280 106 Q C -1.423 174.560 176.000 -0.028 0.000 1.085 106 Q CA -0.597 55.257 55.803 0.086 0.000 0.807 106 Q CB 2.908 31.672 28.738 0.044 0.000 1.405 106 Q HN 0.555 nan 8.270 nan 0.000 0.419 107 V N 0.753 120.575 119.914 -0.154 0.000 2.686 107 V HA 0.497 4.621 4.120 0.007 0.000 0.306 107 V C -1.155 174.849 176.094 -0.149 0.000 1.065 107 V CA -0.758 61.430 62.300 -0.187 0.000 0.894 107 V CB 2.103 33.720 31.823 -0.344 0.000 1.004 107 V HN 0.765 nan 8.190 nan 0.000 0.424 108 E N 4.353 124.500 120.200 -0.088 0.000 2.191 108 E HA 0.650 5.005 4.350 0.007 0.000 0.263 108 E C -1.296 175.285 176.600 -0.032 0.000 0.881 108 E CA -0.613 55.754 56.400 -0.056 0.000 0.757 108 E CB 1.512 31.199 29.700 -0.022 0.000 1.147 108 E HN 0.676 nan 8.360 nan 0.000 0.414 109 M N 2.917 122.515 119.600 -0.002 0.000 2.227 109 M HA 0.342 4.826 4.480 0.007 0.000 0.335 109 M C -0.963 175.420 176.300 0.138 0.000 1.053 109 M CA -0.497 54.863 55.300 0.099 0.000 0.973 109 M CB 2.252 34.965 32.600 0.187 0.000 1.623 109 M HN 0.358 nan 8.290 nan 0.000 0.434 110 T N 3.797 118.391 114.554 0.068 0.000 2.812 110 T HA 0.580 4.935 4.350 0.007 0.000 0.282 110 T C -1.287 173.362 174.700 -0.086 0.000 0.990 110 T CA -0.548 61.545 62.100 -0.010 0.000 0.960 110 T CB 1.507 70.380 68.868 0.008 0.000 0.948 110 T HN 0.422 nan 8.240 nan 0.000 0.438 111 L N 4.591 125.661 121.223 -0.254 0.000 2.319 111 L HA 0.675 5.019 4.340 0.007 0.000 0.281 111 L C -0.394 176.436 176.870 -0.066 0.000 1.005 111 L CA -0.167 54.482 54.840 -0.318 0.000 0.828 111 L CB 0.624 42.178 42.059 -0.841 0.000 1.227 111 L HN 0.573 nan 8.230 nan 0.000 0.415 112 R N 3.380 123.894 120.500 0.023 0.000 2.855 112 R HA 0.560 4.904 4.340 0.007 0.000 0.266 112 R C -1.452 174.921 176.300 0.121 0.000 1.034 112 R CA -0.793 55.445 56.100 0.230 0.000 0.944 112 R CB 1.755 32.173 30.300 0.196 0.000 1.219 112 R HN 0.336 nan 8.270 nan 0.000 0.474 113 F N 0.065 120.126 119.950 0.184 0.000 2.404 113 F HA 0.388 4.919 4.527 0.006 0.000 0.339 113 F C 0.895 176.782 175.800 0.144 0.000 1.105 113 F CA -0.082 57.983 58.000 0.108 0.000 1.087 113 F CB 1.880 40.882 39.000 0.003 0.000 1.143 113 F HN 0.697 nan 8.300 nan 0.000 0.491 114 A N 1.392 124.338 122.820 0.210 0.000 2.055 114 A HA 0.292 4.616 4.320 0.007 0.000 0.205 114 A C 0.704 178.422 177.584 0.222 0.000 1.235 114 A CA 0.992 53.142 52.037 0.187 0.000 0.822 114 A CB -0.088 18.830 19.000 -0.136 0.000 0.903 114 A HN 0.695 nan 8.150 nan 0.000 0.473 115 T N -5.512 109.159 114.554 0.195 0.000 2.787 115 T HA 0.507 4.861 4.350 0.007 0.000 0.297 115 T C -2.937 171.890 174.700 0.213 0.000 1.221 115 T CA -1.217 60.999 62.100 0.194 0.000 1.006 115 T CB 1.224 70.168 68.868 0.127 0.000 1.328 115 T HN -0.169 nan 8.240 nan 0.000 0.509 116 P HA 0.198 nan 4.420 nan 0.000 0.239 116 P C 0.725 178.192 177.300 0.278 0.000 1.184 116 P CA 0.367 63.574 63.100 0.177 0.000 0.760 116 P CB 0.117 31.926 31.700 0.183 0.000 0.884 117 R N -2.992 117.682 120.500 0.291 0.000 2.526 117 R HA 0.264 4.609 4.340 0.007 0.000 0.346 117 R C -0.175 176.387 176.300 0.437 0.000 0.926 117 R CA 0.353 56.673 56.100 0.366 0.000 1.147 117 R CB 0.524 30.958 30.300 0.224 0.000 1.629 117 R HN 0.053 nan 8.270 nan 0.000 0.516 118 T N 1.053 115.825 114.554 0.364 0.000 2.916 118 T HA 0.347 4.702 4.350 0.007 0.000 0.298 118 T C -0.446 174.333 174.700 0.131 0.000 1.031 118 T CA -0.544 61.714 62.100 0.264 0.000 0.993 118 T CB 2.489 71.386 68.868 0.049 0.000 1.045 118 T HN 0.079 nan 8.240 nan 0.000 0.454 119 S N 2.317 118.033 115.700 0.026 0.000 2.549 119 S HA 0.807 5.281 4.470 0.007 0.000 0.297 119 S C -0.821 173.665 174.600 -0.190 0.000 1.115 119 S CA -0.956 57.026 58.200 -0.365 0.000 1.059 119 S CB 1.424 64.186 63.200 -0.731 0.000 1.046 119 S HN 0.561 nan 8.310 nan 0.000 0.506 120 L N 2.591 123.701 121.223 -0.189 0.000 2.313 120 L HA 0.716 5.060 4.340 0.007 0.000 0.283 120 L C -1.245 175.557 176.870 -0.113 0.000 1.013 120 L CA -0.911 53.846 54.840 -0.139 0.000 0.816 120 L CB 1.422 43.448 42.059 -0.056 0.000 1.236 120 L HN 0.815 nan 8.230 nan 0.000 0.419 121 L N 4.793 125.927 121.223 -0.148 0.000 2.280 121 L HA 0.515 4.859 4.340 0.007 0.000 0.287 121 L C -0.453 176.420 176.870 0.004 0.000 1.023 121 L CA 0.048 54.839 54.840 -0.082 0.000 0.819 121 L CB 1.308 43.309 42.059 -0.097 0.000 1.212 121 L HN 0.776 nan 8.230 nan 0.000 0.420 122 E N 3.166 123.385 120.200 0.033 0.000 2.146 122 E HA 0.338 4.693 4.350 0.007 0.000 0.282 122 E C -1.139 175.398 176.600 -0.105 0.000 0.989 122 E CA -0.397 55.957 56.400 -0.077 0.000 0.799 122 E CB 0.877 30.624 29.700 0.078 0.000 1.088 122 E HN 0.691 nan 8.360 nan 0.000 0.397 123 T N 5.484 119.920 114.554 -0.196 0.000 2.947 123 T HA 0.190 4.544 4.350 0.007 0.000 0.337 123 T C -0.316 174.306 174.700 -0.131 0.000 1.139 123 T CA -0.525 61.526 62.100 -0.080 0.000 0.992 123 T CB 0.508 69.394 68.868 0.029 0.000 1.043 123 T HN 0.301 nan 8.240 nan 0.000 0.498 124 K N 4.664 125.005 120.400 -0.098 0.000 2.263 124 K HA 0.436 4.760 4.320 0.007 0.000 0.282 124 K C -0.662 175.905 176.600 -0.055 0.000 1.089 124 K CA -0.454 55.786 56.287 -0.079 0.000 0.907 124 K CB 0.259 32.731 32.500 -0.046 0.000 1.148 124 K HN 0.561 nan 8.250 nan 0.000 0.470 125 I N 3.669 124.212 120.570 -0.045 0.000 2.339 125 I HA 0.164 4.339 4.170 0.007 0.000 0.290 125 I C -0.214 175.895 176.117 -0.012 0.000 0.994 125 I CA -0.640 60.642 61.300 -0.031 0.000 1.191 125 I CB 2.012 39.997 38.000 -0.025 0.000 1.343 125 I HN 0.476 nan 8.210 nan 0.000 0.458 126 T N 4.426 118.979 114.554 -0.001 0.000 2.758 126 T HA 0.467 4.821 4.350 0.007 0.000 0.285 126 T C -0.369 174.342 174.700 0.018 0.000 0.981 126 T CA -0.539 61.566 62.100 0.009 0.000 0.965 126 T CB 1.081 69.957 68.868 0.013 0.000 0.927 126 T HN 0.586 nan 8.240 nan 0.000 0.448 127 S N 2.342 118.049 115.700 0.012 0.000 2.563 127 S HA 0.232 4.706 4.470 0.007 0.000 0.279 127 S C 0.602 175.206 174.600 0.006 0.000 1.155 127 S CA -0.866 57.340 58.200 0.010 0.000 0.928 127 S CB 0.769 63.972 63.200 0.005 0.000 1.107 127 S HN 0.744 nan 8.310 nan 0.000 0.462 128 N N 3.463 122.166 118.700 0.006 0.000 2.463 128 N HA 0.062 4.806 4.740 0.007 0.000 0.181 128 N C -0.051 175.463 175.510 0.007 0.000 1.078 128 N CA 0.141 53.196 53.050 0.007 0.000 0.902 128 N CB 0.045 38.535 38.487 0.006 0.000 0.970 128 N HN 0.561 nan 8.380 nan 0.000 0.451 129 K N 0.136 120.538 120.400 0.004 0.000 2.433 129 K HA 0.535 4.859 4.320 0.007 0.000 0.252 129 K C -2.880 173.718 176.600 -0.003 0.000 1.015 129 K CA -2.108 54.184 56.287 0.008 0.000 0.860 129 K CB 1.593 34.099 32.500 0.010 0.000 1.359 129 K HN -0.174 nan 8.250 nan 0.000 0.452 130 P HA 0.135 nan 4.420 nan 0.000 0.269 130 P C -0.948 176.304 177.300 -0.080 0.000 1.217 130 P CA 0.073 63.150 63.100 -0.039 0.000 0.783 130 P CB 0.486 32.249 31.700 0.105 0.000 0.898 131 L N 0.771 121.848 121.223 -0.244 0.000 2.479 131 L HA 0.469 4.814 4.340 0.007 0.000 0.255 131 L C -0.750 176.002 176.870 -0.196 0.000 1.026 131 L CA -0.819 53.939 54.840 -0.136 0.000 0.842 131 L CB 2.314 44.328 42.059 -0.076 0.000 1.444 131 L HN 0.181 nan 8.230 nan 0.000 0.409 132 D N 2.248 122.655 120.400 0.012 0.000 2.308 132 D HA 0.583 5.227 4.640 0.007 0.000 0.242 132 D C -0.855 175.462 176.300 0.027 0.000 1.059 132 D CA -0.224 53.809 54.000 0.056 0.000 0.830 132 D CB 2.500 43.371 40.800 0.119 0.000 1.161 132 D HN 0.210 nan 8.370 nan 0.000 0.494 133 L N 1.233 122.400 121.223 -0.093 0.000 2.331 133 L HA 0.663 5.007 4.340 0.007 0.000 0.275 133 L C -0.286 176.351 176.870 -0.388 0.000 1.022 133 L CA -1.038 53.605 54.840 -0.328 0.000 0.812 133 L CB 1.961 43.658 42.059 -0.602 0.000 1.257 133 L HN -0.037 nan 8.230 nan 0.000 0.435 134 V N 0.806 120.427 119.914 -0.489 0.000 2.733 134 V HA 0.450 4.574 4.120 0.007 0.000 0.306 134 V C -1.156 174.738 176.094 -0.333 0.000 1.084 134 V CA -0.578 61.563 62.300 -0.265 0.000 0.905 134 V CB 2.443 34.222 31.823 -0.074 0.000 1.010 134 V HN 0.600 nan 8.190 nan 0.000 0.424 135 W N 3.695 125.032 121.300 0.063 0.000 2.702 135 W HA 0.617 5.280 4.660 0.006 0.000 0.331 135 W C -0.661 175.786 176.519 -0.119 0.000 1.049 135 W CA -0.488 56.884 57.345 0.045 0.000 1.230 135 W CB 2.289 31.841 29.460 0.153 0.000 1.408 135 W HN 0.742 nan 8.180 nan 0.000 0.492 136 D N 0.549 120.880 120.400 -0.115 0.000 2.552 136 D HA 0.756 5.400 4.640 0.007 0.000 0.239 136 D C -0.530 175.257 176.300 -0.856 0.000 1.139 136 D CA -0.485 53.150 54.000 -0.609 0.000 0.914 136 D CB 2.601 43.216 40.800 -0.307 0.000 1.461 136 D HN 0.432 nan 8.370 nan 0.000 0.462 137 G N -0.597 107.480 108.800 -1.205 0.000 2.601 137 G HA2 0.492 4.456 3.960 0.007 0.000 0.291 137 G HA3 0.492 4.456 3.960 0.007 0.000 0.291 137 G C -1.873 172.908 174.900 -0.199 0.000 1.456 137 G CA -0.764 43.969 45.100 -0.611 0.000 0.804 137 G HN 0.610 nan 8.290 nan 0.000 0.499 138 E N 0.036 120.359 120.200 0.205 0.000 2.347 138 E HA 0.364 4.718 4.350 0.007 0.000 0.285 138 E C -0.756 175.985 176.600 0.235 0.000 0.925 138 E CA -0.670 55.842 56.400 0.188 0.000 0.779 138 E CB 1.811 31.542 29.700 0.051 0.000 1.233 138 E HN 0.477 nan 8.360 nan 0.000 0.414 139 L N 4.165 125.506 121.223 0.196 0.000 2.417 139 L HA 0.306 4.650 4.340 0.007 0.000 0.268 139 L C 0.499 177.403 176.870 0.058 0.000 1.158 139 L CA -0.482 54.417 54.840 0.098 0.000 0.819 139 L CB 0.226 42.329 42.059 0.074 0.000 1.112 139 L HN 0.484 nan 8.230 nan 0.000 0.458 140 L N 1.961 123.208 121.223 0.039 0.000 2.483 140 L HA -0.003 4.341 4.340 0.007 0.000 0.275 140 L C 1.268 178.157 176.870 0.031 0.000 1.220 140 L CA 0.517 55.368 54.840 0.019 0.000 0.833 140 L CB 0.550 42.629 42.059 0.033 0.000 1.102 140 L HN 0.777 nan 8.230 nan 0.000 0.490 141 E N 1.385 121.580 120.200 -0.008 0.000 2.288 141 E HA 0.079 4.433 4.350 0.007 0.000 0.200 141 E C 0.085 176.691 176.600 0.009 0.000 0.880 141 E CA -0.169 56.236 56.400 0.009 0.000 0.971 141 E CB 0.524 30.217 29.700 -0.013 0.000 0.954 141 E HN 0.483 nan 8.360 nan 0.000 0.489 142 K N 1.360 121.724 120.400 -0.060 0.000 2.326 142 K HA 0.078 4.402 4.320 0.007 0.000 0.275 142 K C 0.811 177.474 176.600 0.105 0.000 1.018 142 K CA -0.344 55.929 56.287 -0.022 0.000 0.962 142 K CB 1.647 34.009 32.500 -0.230 0.000 0.953 142 K HN 0.075 nan 8.250 nan 0.000 0.475 143 L N 2.534 123.851 121.223 0.158 0.000 2.022 143 L HA -0.058 4.286 4.340 0.007 0.000 0.204 143 L C 0.248 177.192 176.870 0.123 0.000 1.076 143 L CA 1.590 56.509 54.840 0.133 0.000 0.749 143 L CB 0.060 42.148 42.059 0.048 0.000 0.903 143 L HN 0.774 nan 8.230 nan 0.000 0.439 144 E N -0.961 119.293 120.200 0.090 0.000 2.367 144 E HA 0.727 5.082 4.350 0.007 0.000 0.273 144 E C -1.254 175.100 176.600 -0.409 0.000 0.903 144 E CA -0.823 55.488 56.400 -0.149 0.000 0.764 144 E CB 1.982 31.576 29.700 -0.175 0.000 1.252 144 E HN 0.211 nan 8.360 nan 0.000 0.446 145 A N 1.588 124.067 122.820 -0.568 0.000 2.612 145 A HA 0.710 5.034 4.320 0.007 0.000 0.293 145 A C -1.625 175.762 177.584 -0.328 0.000 1.075 145 A CA -0.896 50.733 52.037 -0.681 0.000 0.680 145 A CB 2.167 20.311 19.000 -1.426 0.000 1.279 145 A HN 0.575 nan 8.150 nan 0.000 0.411 146 K N 0.761 121.034 120.400 -0.211 0.000 2.482 146 K HA 0.505 4.829 4.320 0.007 0.000 0.251 146 K C -0.602 175.968 176.600 -0.050 0.000 0.936 146 K CA -0.295 55.952 56.287 -0.067 0.000 0.791 146 K CB 0.899 33.385 32.500 -0.023 0.000 1.213 146 K HN 0.638 nan 8.250 nan 0.000 0.428 147 E N 2.042 122.231 120.200 -0.019 0.000 3.170 147 E HA -0.252 4.102 4.350 0.007 0.000 0.284 147 E C 0.523 177.102 176.600 -0.034 0.000 0.967 147 E CA 1.440 57.830 56.400 -0.017 0.000 0.919 147 E CB -1.657 28.048 29.700 0.008 0.000 1.469 147 E HN 1.202 nan 8.360 nan 0.000 0.444 148 G N -0.276 108.486 108.800 -0.063 0.000 2.195 148 G HA2 -0.329 3.635 3.960 0.007 0.000 0.246 148 G HA3 -0.329 3.635 3.960 0.007 0.000 0.246 148 G C 0.174 175.045 174.900 -0.049 0.000 0.984 148 G CA 0.630 45.717 45.100 -0.023 0.000 0.633 148 G HN 0.200 nan 8.290 nan 0.000 0.525 149 K N 1.893 122.233 120.400 -0.101 0.000 2.235 149 K HA 0.413 4.738 4.320 0.007 0.000 0.266 149 K C -2.438 174.036 176.600 -0.209 0.000 0.980 149 K CA -1.861 54.370 56.287 -0.094 0.000 0.849 149 K CB 2.415 34.889 32.500 -0.043 0.000 1.098 149 K HN 0.096 nan 8.250 nan 0.000 0.445 150 P HA -0.035 nan 4.420 nan 0.000 0.265 150 P C 0.220 177.438 177.300 -0.137 0.000 1.193 150 P CA 0.224 63.179 63.100 -0.241 0.000 0.765 150 P CB 0.729 32.451 31.700 0.036 0.000 0.823 151 L N 1.506 122.638 121.223 -0.153 0.000 2.446 151 L HA 0.040 4.384 4.340 0.007 0.000 0.219 151 L C 1.347 178.188 176.870 -0.048 0.000 1.116 151 L CA 0.731 55.517 54.840 -0.089 0.000 0.844 151 L CB -0.141 41.860 42.059 -0.097 0.000 0.970 151 L HN 0.602 nan 8.230 nan 0.000 0.457 152 S N -2.319 113.362 115.700 -0.031 0.000 2.683 152 S HA 0.137 4.611 4.470 0.007 0.000 0.269 152 S C -0.810 173.806 174.600 0.027 0.000 1.165 152 S CA -0.333 57.864 58.200 -0.005 0.000 0.840 152 S CB 0.999 64.190 63.200 -0.016 0.000 1.169 152 S HN 0.116 nan 8.310 nan 0.000 0.490 153 D N -0.368 120.046 120.400 0.023 0.000 2.368 153 D HA 0.218 4.862 4.640 0.007 0.000 0.218 153 D C 0.015 176.331 176.300 0.027 0.000 1.112 153 D CA -0.317 53.705 54.000 0.036 0.000 0.834 153 D CB -0.181 40.633 40.800 0.023 0.000 0.953 153 D HN 0.503 nan 8.370 nan 0.000 0.505 154 K N 0.618 121.027 120.400 0.014 0.000 2.414 154 K HA 0.256 4.580 4.320 0.007 0.000 0.272 154 K C 0.550 177.158 176.600 0.014 0.000 0.993 154 K CA 0.268 56.551 56.287 -0.007 0.000 0.964 154 K CB 0.584 33.061 32.500 -0.039 0.000 0.925 154 K HN 0.268 nan 8.250 nan 0.000 0.487 155 T N -1.311 113.243 114.554 0.000 0.000 2.949 155 T HA 0.316 4.670 4.350 0.007 0.000 0.287 155 T C 1.382 176.100 174.700 0.030 0.000 1.034 155 T CA -1.018 61.098 62.100 0.026 0.000 1.018 155 T CB 0.790 69.675 68.868 0.028 0.000 1.135 155 T HN 0.234 nan 8.240 nan 0.000 0.532 156 I N 0.911 121.541 120.570 0.100 0.000 2.163 156 I HA -0.053 4.122 4.170 0.007 0.000 0.240 156 I C 3.020 179.271 176.117 0.223 0.000 1.081 156 I CA 1.780 63.204 61.300 0.208 0.000 1.353 156 I CB -2.013 36.163 38.000 0.293 0.000 1.054 156 I HN 0.897 nan 8.210 nan 0.000 0.407 157 A N 1.066 123.993 122.820 0.180 0.000 1.908 157 A HA -0.118 4.206 4.320 0.007 0.000 0.218 157 A C 2.501 180.138 177.584 0.088 0.000 1.181 157 A CA 1.997 54.133 52.037 0.164 0.000 0.627 157 A CB -1.363 17.704 19.000 0.112 0.000 0.818 157 A HN 0.442 nan 8.150 nan 0.000 0.445 158 G N -0.629 108.188 108.800 0.028 0.000 2.402 158 G HA2 -0.211 3.753 3.960 0.007 0.000 0.216 158 G HA3 -0.211 3.753 3.960 0.007 0.000 0.216 158 G C 1.471 176.312 174.900 -0.098 0.000 1.162 158 G CA 1.307 46.395 45.100 -0.020 0.000 0.777 158 G HN 0.557 nan 8.290 nan 0.000 0.539 159 E N -0.114 119.957 120.200 -0.215 0.000 2.150 159 E HA -0.042 4.313 4.350 0.007 0.000 0.193 159 E C -0.135 176.033 176.600 -0.720 0.000 0.985 159 E CA 0.516 56.597 56.400 -0.532 0.000 0.814 159 E CB -0.150 29.075 29.700 -0.791 0.000 0.752 159 E HN 0.485 nan 8.360 nan 0.000 0.466 160 Y N -0.967 119.346 120.300 0.022 0.000 2.787 160 Y HA 0.340 4.894 4.550 0.008 0.000 0.352 160 Y C -2.018 173.932 175.900 0.083 0.000 1.027 160 Y CA -2.806 55.304 58.100 0.016 0.000 1.219 160 Y CB 1.420 39.837 38.460 -0.072 0.000 1.110 160 Y HN 0.020 nan 8.280 nan 0.000 0.614 161 P HA -0.155 nan 4.420 nan 0.000 0.218 161 P C 0.711 178.103 177.300 0.154 0.000 1.146 161 P CA 1.684 64.859 63.100 0.125 0.000 0.813 161 P CB 0.453 32.198 31.700 0.076 0.000 0.778 162 D N -3.071 117.436 120.400 0.177 0.000 2.339 162 D HA -0.047 4.598 4.640 0.007 0.000 0.217 162 D C 1.493 177.944 176.300 0.252 0.000 1.050 162 D CA 0.165 54.266 54.000 0.169 0.000 0.856 162 D CB -0.420 40.456 40.800 0.127 0.000 0.922 162 D HN 0.137 nan 8.370 nan 0.000 0.518 163 Y N 1.958 122.339 120.300 0.135 0.000 2.181 163 Y HA -0.166 4.388 4.550 0.006 0.000 0.288 163 Y C 0.950 176.932 175.900 0.136 0.000 1.146 163 Y CA 1.036 59.222 58.100 0.143 0.000 1.164 163 Y CB -0.239 38.327 38.460 0.176 0.000 0.982 163 Y HN 0.023 nan 8.280 nan 0.000 0.515 164 Q N 1.246 121.167 119.800 0.202 0.000 2.395 164 Q HA -0.299 4.045 4.340 0.007 0.000 0.326 164 Q C -0.166 175.801 176.000 -0.055 0.000 1.302 164 Q CA 0.659 56.500 55.803 0.065 0.000 0.949 164 Q CB -1.329 27.448 28.738 0.064 0.000 1.204 164 Q HN 0.509 nan 8.270 nan 0.000 0.444 165 R N 1.094 121.501 120.500 -0.153 0.000 2.585 165 R HA 0.165 4.509 4.340 0.007 0.000 0.275 165 R C 0.363 176.546 176.300 -0.196 0.000 1.018 165 R CA 0.719 56.641 56.100 -0.297 0.000 1.072 165 R CB 0.505 30.622 30.300 -0.305 0.000 0.953 165 R HN 0.137 nan 8.270 nan 0.000 0.419 166 K N 3.306 123.554 120.400 -0.252 0.000 2.525 166 K HA 0.336 4.661 4.320 0.007 0.000 0.254 166 K C -1.194 175.314 176.600 -0.153 0.000 0.934 166 K CA -0.563 55.636 56.287 -0.148 0.000 0.802 166 K CB 1.326 33.761 32.500 -0.108 0.000 1.295 166 K HN 0.433 nan 8.250 nan 0.000 0.433 167 I N 2.523 123.053 120.570 -0.067 0.000 2.359 167 I HA 0.303 4.477 4.170 0.007 0.000 0.294 167 I C -0.455 175.631 176.117 -0.052 0.000 0.987 167 I CA -0.554 60.725 61.300 -0.036 0.000 1.225 167 I CB 1.952 39.992 38.000 0.066 0.000 1.366 167 I HN 0.493 nan 8.210 nan 0.000 0.466 168 S N 3.817 119.468 115.700 -0.081 0.000 2.541 168 S HA 0.683 5.157 4.470 0.007 0.000 0.280 168 S C -0.263 174.272 174.600 -0.109 0.000 1.112 168 S CA -0.691 57.462 58.200 -0.080 0.000 0.925 168 S CB 2.018 65.172 63.200 -0.076 0.000 1.067 168 S HN 0.724 nan 8.310 nan 0.000 0.479 169 A N 2.113 124.877 122.820 -0.094 0.000 2.386 169 A HA 0.702 5.027 4.320 0.007 0.000 0.248 169 A C 0.691 178.209 177.584 -0.111 0.000 1.082 169 A CA -0.131 51.839 52.037 -0.112 0.000 0.789 169 A CB -0.044 18.911 19.000 -0.075 0.000 1.025 169 A HN 0.887 nan 8.150 nan 0.000 0.490 170 T N -1.747 112.726 114.554 -0.136 0.000 2.724 170 T HA 0.481 4.835 4.350 0.007 0.000 0.274 170 T C 0.951 175.589 174.700 -0.104 0.000 0.984 170 T CA -0.138 61.886 62.100 -0.127 0.000 1.024 170 T CB 0.943 69.698 68.868 -0.188 0.000 1.320 170 T HN 0.743 nan 8.240 nan 0.000 0.555 171 R N 0.288 120.739 120.500 -0.083 0.000 2.236 171 R HA 0.110 4.454 4.340 0.007 0.000 0.208 171 R C 0.091 176.354 176.300 -0.062 0.000 1.036 171 R CA 1.317 57.384 56.100 -0.056 0.000 1.001 171 R CB -0.431 29.851 30.300 -0.030 0.000 0.896 171 R HN 0.707 nan 8.270 nan 0.000 0.464 172 D N -1.188 119.151 120.400 -0.101 0.000 2.785 172 D HA 0.272 4.917 4.640 0.007 0.000 0.324 172 D C 0.429 176.617 176.300 -0.188 0.000 1.523 172 D CA 0.052 53.991 54.000 -0.101 0.000 0.789 172 D CB 0.633 41.417 40.800 -0.026 0.000 1.171 172 D HN 0.276 nan 8.370 nan 0.000 0.447 173 G N 0.327 108.994 108.800 -0.221 0.000 2.272 173 G HA2 0.309 4.273 3.960 0.007 0.000 0.068 173 G HA3 0.309 4.273 3.960 0.007 0.000 0.068 173 G C -1.381 173.342 174.900 -0.295 0.000 1.073 173 G CA -0.146 44.784 45.100 -0.284 0.000 1.154 173 G HN 0.682 nan 8.290 nan 0.000 0.429 174 L N -1.864 119.152 121.223 -0.345 0.000 2.892 174 L HA 0.941 5.285 4.340 0.007 0.000 0.269 174 L C -1.413 175.305 176.870 -0.253 0.000 1.058 174 L CA -1.030 53.627 54.840 -0.306 0.000 0.923 174 L CB 2.028 43.835 42.059 -0.419 0.000 1.518 174 L HN 1.080 nan 8.230 nan 0.000 0.402 175 K N -0.006 120.292 120.400 -0.170 0.000 2.556 175 K HA 0.809 5.133 4.320 0.007 0.000 0.274 175 K C -1.974 174.583 176.600 -0.071 0.000 0.966 175 K CA -0.945 55.283 56.287 -0.098 0.000 0.865 175 K CB 2.589 35.023 32.500 -0.109 0.000 1.444 175 K HN 0.400 nan 8.250 nan 0.000 0.433 176 V N 1.763 121.639 119.914 -0.063 0.000 2.448 176 V HA 0.447 4.571 4.120 0.007 0.000 0.295 176 V C -0.377 175.413 176.094 -0.508 0.000 1.025 176 V CA -0.501 61.642 62.300 -0.262 0.000 0.859 176 V CB 1.547 33.213 31.823 -0.261 0.000 0.988 176 V HN 0.993 nan 8.190 nan 0.000 0.431 177 T N 1.565 115.785 114.554 -0.557 0.000 2.895 177 T HA 0.814 5.168 4.350 0.007 0.000 0.283 177 T C -0.912 173.338 174.700 -0.750 0.000 1.014 177 T CA -0.474 61.344 62.100 -0.471 0.000 1.037 177 T CB 1.384 70.131 68.868 -0.201 0.000 1.006 177 T HN 0.177 nan 8.240 nan 0.000 0.468 178 F N 0.240 120.168 119.950 -0.037 0.000 2.540 178 F HA 0.660 5.191 4.527 0.006 0.000 0.317 178 F C 0.941 176.766 175.800 0.041 0.000 1.104 178 F CA -0.881 57.083 58.000 -0.061 0.000 0.913 178 F CB 1.892 40.899 39.000 0.012 0.000 1.170 178 F HN 1.007 nan 8.300 nan 0.000 0.450 179 G N 1.088 110.045 108.800 0.262 0.000 2.599 179 G HA2 0.268 4.232 3.960 0.007 0.000 0.264 179 G HA3 0.268 4.232 3.960 0.007 0.000 0.264 179 G C -0.899 174.140 174.900 0.231 0.000 1.200 179 G CA -0.780 44.446 45.100 0.209 0.000 0.896 179 G HN 0.627 nan 8.290 nan 0.000 0.536 180 K N -0.223 120.261 120.400 0.140 0.000 2.349 180 K HA 0.380 4.705 4.320 0.007 0.000 0.288 180 K C -0.944 175.696 176.600 0.066 0.000 1.058 180 K CA -0.253 56.088 56.287 0.090 0.000 0.953 180 K CB 0.504 33.039 32.500 0.059 0.000 0.997 180 K HN 0.110 nan 8.250 nan 0.000 0.477 181 V N 5.949 125.866 119.914 0.005 0.000 2.483 181 V HA 0.330 4.454 4.120 0.007 0.000 0.297 181 V C -0.242 175.786 176.094 -0.110 0.000 1.027 181 V CA -0.930 61.326 62.300 -0.074 0.000 0.855 181 V CB 1.625 33.294 31.823 -0.256 0.000 0.995 181 V HN 0.706 nan 8.190 nan 0.000 0.424 182 R N 3.377 123.835 120.500 -0.070 0.000 3.472 182 R HA 0.464 4.809 4.340 0.007 0.000 0.322 182 R C 0.281 176.529 176.300 -0.088 0.000 1.330 182 R CA -0.250 55.802 56.100 -0.079 0.000 1.387 182 R CB 1.052 31.322 30.300 -0.049 0.000 1.446 182 R HN 0.723 nan 8.270 nan 0.000 0.628 183 A N 0.784 123.532 122.820 -0.120 0.000 2.807 183 A HA 0.191 4.515 4.320 0.007 0.000 0.307 183 A C 1.198 178.684 177.584 -0.163 0.000 1.532 183 A CA -0.226 51.759 52.037 -0.086 0.000 1.215 183 A CB -0.113 18.848 19.000 -0.066 0.000 1.127 183 A HN 0.372 nan 8.150 nan 0.000 0.543 184 T N 1.208 115.588 114.554 -0.290 0.000 2.755 184 T HA -0.254 4.101 4.350 0.007 0.000 0.266 184 T C 0.680 175.044 174.700 -0.561 0.000 1.041 184 T CA 2.448 64.189 62.100 -0.598 0.000 1.147 184 T CB -0.317 67.889 68.868 -1.103 0.000 0.847 184 T HN 0.897 nan 8.240 nan 0.000 0.478 185 W N 0.310 121.679 121.300 0.116 0.000 2.846 185 W HA 0.405 5.069 4.660 0.006 0.000 0.391 185 W C 1.026 177.174 176.519 -0.620 0.000 1.011 185 W CA -0.710 56.685 57.345 0.084 0.000 1.832 185 W CB 0.639 30.277 29.460 0.296 0.000 1.151 185 W HN 0.157 nan 8.180 nan 0.000 0.582 186 D N -0.830 119.226 120.400 -0.573 0.000 2.135 186 D HA 0.132 4.776 4.640 0.007 0.000 0.318 186 D C -0.502 175.469 176.300 -0.548 0.000 1.109 186 D CA 0.237 53.867 54.000 -0.616 0.000 0.952 186 D CB 0.921 41.640 40.800 -0.136 0.000 1.816 186 D HN -0.127 nan 8.370 nan 0.000 0.528 187 L N 1.618 122.604 121.223 -0.395 0.000 2.543 187 L HA 0.438 4.782 4.340 0.007 0.000 0.265 187 L C -2.189 174.520 176.870 -0.269 0.000 0.945 187 L CA -0.394 54.215 54.840 -0.384 0.000 0.869 187 L CB 1.853 43.421 42.059 -0.819 0.000 1.294 187 L HN -0.138 nan 8.230 nan 0.000 0.405 188 L N 4.718 125.844 121.223 -0.161 0.000 2.372 188 L HA 0.797 5.142 4.340 0.007 0.000 0.274 188 L C -0.455 176.286 176.870 -0.215 0.000 0.988 188 L CA -0.347 54.395 54.840 -0.164 0.000 0.833 188 L CB 2.178 44.169 42.059 -0.113 0.000 1.236 188 L HN 0.765 nan 8.230 nan 0.000 0.410 189 T N -2.463 111.987 114.554 -0.173 0.000 2.903 189 T HA 0.310 4.665 4.350 0.007 0.000 0.299 189 T C 0.695 175.355 174.700 -0.067 0.000 1.093 189 T CA -0.148 61.881 62.100 -0.119 0.000 1.002 189 T CB 1.893 70.759 68.868 -0.003 0.000 1.127 189 T HN 0.472 nan 8.240 nan 0.000 0.488 190 S N 0.169 115.845 115.700 -0.040 0.000 2.501 190 S HA 0.411 4.885 4.470 0.007 0.000 0.220 190 S C 1.914 176.540 174.600 0.044 0.000 0.997 190 S CA 0.627 58.831 58.200 0.007 0.000 0.919 190 S CB -0.581 62.634 63.200 0.025 0.000 0.778 190 S HN 2.260 nan 8.310 nan 0.000 0.523 191 G N 1.024 109.870 108.800 0.077 0.000 2.176 191 G HA2 -0.183 3.782 3.960 0.007 0.000 0.232 191 G HA3 -0.183 3.782 3.960 0.007 0.000 0.232 191 G C 0.532 175.487 174.900 0.092 0.000 0.986 191 G CA 0.326 45.482 45.100 0.095 0.000 0.643 191 G HN 0.500 nan 8.290 nan 0.000 0.522 192 E N 0.282 120.535 120.200 0.088 0.000 2.601 192 E HA 0.166 4.520 4.350 0.007 0.000 0.219 192 E C 1.210 177.873 176.600 0.105 0.000 0.964 192 E CA 0.656 57.104 56.400 0.079 0.000 1.050 192 E CB 0.800 30.533 29.700 0.056 0.000 1.068 192 E HN 0.752 nan 8.360 nan 0.000 0.496 193 S N 1.211 117.000 115.700 0.150 0.000 2.585 193 S HA 0.328 4.803 4.470 0.007 0.000 0.273 193 S C 0.125 174.947 174.600 0.371 0.000 1.339 193 S CA -0.270 58.056 58.200 0.210 0.000 1.028 193 S CB 1.463 64.783 63.200 0.200 0.000 0.906 193 S HN 0.012 nan 8.310 nan 0.000 0.528 194 E N 0.299 120.724 120.200 0.376 0.000 2.413 194 E HA 0.303 4.658 4.350 0.007 0.000 0.277 194 E C -2.076 174.813 176.600 0.482 0.000 0.958 194 E CA -0.705 55.908 56.400 0.355 0.000 0.779 194 E CB 1.540 31.324 29.700 0.141 0.000 1.278 194 E HN 0.689 nan 8.360 nan 0.000 0.456 195 Y N 1.743 122.187 120.300 0.241 0.000 2.376 195 Y HA 0.257 4.812 4.550 0.009 0.000 0.326 195 Y C -0.943 175.017 175.900 0.099 0.000 0.970 195 Y CA -0.339 57.868 58.100 0.180 0.000 1.248 195 Y CB 1.036 39.568 38.460 0.120 0.000 1.117 195 Y HN 0.367 nan 8.280 nan 0.000 0.476 196 Q N 4.127 123.792 119.800 -0.226 0.000 2.235 196 Q HA 0.702 5.046 4.340 0.007 0.000 0.256 196 Q C -1.321 174.559 176.000 -0.200 0.000 0.951 196 Q CA -1.222 54.487 55.803 -0.156 0.000 0.890 196 Q CB 2.833 31.602 28.738 0.051 0.000 1.279 196 Q HN 0.448 nan 8.270 nan 0.000 0.444 197 V N 2.571 122.370 119.914 -0.191 0.000 2.443 197 V HA 0.306 4.430 4.120 0.007 0.000 0.293 197 V C -1.220 174.692 176.094 -0.304 0.000 1.021 197 V CA -0.795 61.434 62.300 -0.117 0.000 0.848 197 V CB 1.111 32.909 31.823 -0.043 0.000 0.998 197 V HN 0.718 nan 8.190 nan 0.000 0.424 198 H N 2.786 121.735 119.070 -0.201 0.000 2.524 198 H HA 0.725 5.285 4.556 0.007 0.000 0.353 198 H C -0.389 174.809 175.328 -0.216 0.000 1.136 198 H CA -0.653 55.285 56.048 -0.184 0.000 1.193 198 H CB 1.795 31.468 29.762 -0.148 0.000 1.558 198 H HN 0.504 nan 8.280 nan 0.000 0.515 199 K N 0.232 120.575 120.400 -0.095 0.000 2.395 199 K HA 0.261 4.585 4.320 0.007 0.000 0.247 199 K C 0.360 176.928 176.600 -0.054 0.000 0.973 199 K CA -0.647 55.559 56.287 -0.136 0.000 0.828 199 K CB 2.182 34.517 32.500 -0.275 0.000 1.272 199 K HN 0.689 nan 8.250 nan 0.000 0.439 200 S N 0.579 116.269 115.700 -0.016 0.000 2.562 200 S HA 0.024 4.498 4.470 0.007 0.000 0.221 200 S C 0.757 175.375 174.600 0.030 0.000 0.975 200 S CA -0.187 58.037 58.200 0.039 0.000 0.918 200 S CB -0.658 62.617 63.200 0.126 0.000 0.772 200 S HN 0.526 nan 8.310 nan 0.000 0.531 201 L N -1.898 119.328 121.223 0.005 0.000 2.333 201 L HA 0.833 5.178 4.340 0.007 0.000 0.263 201 L C -3.367 173.509 176.870 0.011 0.000 1.014 201 L CA -2.712 52.146 54.840 0.030 0.000 0.820 201 L CB 0.890 42.991 42.059 0.070 0.000 1.352 201 L HN -0.276 nan 8.230 nan 0.000 0.421 202 P HA 0.296 nan 4.420 nan 0.000 0.271 202 P C -0.846 176.483 177.300 0.048 0.000 1.216 202 P CA -0.261 62.854 63.100 0.025 0.000 0.771 202 P CB 1.380 33.102 31.700 0.036 0.000 0.864 203 V N 0.514 120.441 119.914 0.022 0.000 3.040 203 V HA 0.625 4.750 4.120 0.007 0.000 0.312 203 V C -1.073 175.050 176.094 0.049 0.000 1.115 203 V CA -1.033 61.306 62.300 0.065 0.000 0.998 203 V CB 2.281 34.110 31.823 0.010 0.000 1.042 203 V HN 0.287 nan 8.190 nan 0.000 0.433 204 Q N 1.231 121.081 119.800 0.084 0.000 2.333 204 Q HA 0.707 5.051 4.340 0.007 0.000 0.265 204 Q C -0.616 175.426 176.000 0.070 0.000 0.989 204 Q CA -0.174 55.662 55.803 0.055 0.000 0.842 204 Q CB 2.064 30.832 28.738 0.050 0.000 1.262 204 Q HN 0.925 nan 8.270 nan 0.000 0.451 205 T N 1.805 116.383 114.554 0.040 0.000 2.829 205 T HA 0.395 4.749 4.350 0.007 0.000 0.280 205 T C -0.937 173.796 174.700 0.054 0.000 0.999 205 T CA -0.742 61.394 62.100 0.061 0.000 0.983 205 T CB 1.288 70.156 68.868 0.001 0.000 0.968 205 T HN 0.487 nan 8.240 nan 0.000 0.446 206 E N 3.127 123.380 120.200 0.089 0.000 2.187 206 E HA 0.452 4.806 4.350 0.007 0.000 0.268 206 E C -0.989 175.671 176.600 0.100 0.000 0.896 206 E CA -0.740 55.699 56.400 0.065 0.000 0.766 206 E CB 0.750 30.475 29.700 0.042 0.000 1.142 206 E HN 0.366 nan 8.360 nan 0.000 0.408 207 I N 3.531 124.144 120.570 0.071 0.000 2.404 207 I HA 0.294 4.468 4.170 0.007 0.000 0.293 207 I C -0.744 175.408 176.117 0.059 0.000 0.992 207 I CA -0.848 60.505 61.300 0.088 0.000 1.149 207 I CB 1.307 39.341 38.000 0.057 0.000 1.315 207 I HN 0.552 nan 8.210 nan 0.000 0.446 208 N N 4.289 123.028 118.700 0.065 0.000 2.716 208 N HA 0.502 5.247 4.740 0.007 0.000 0.253 208 N C 0.623 176.159 175.510 0.043 0.000 1.170 208 N CA -0.005 53.069 53.050 0.039 0.000 0.807 208 N CB 1.626 40.128 38.487 0.025 0.000 1.183 208 N HN 0.947 nan 8.380 nan 0.000 0.524 209 G N 2.019 110.841 108.800 0.037 0.000 2.602 209 G HA2 -0.404 3.560 3.960 0.007 0.000 0.310 209 G HA3 -0.404 3.560 3.960 0.007 0.000 0.310 209 G C 0.418 175.350 174.900 0.054 0.000 1.183 209 G CA 0.121 45.242 45.100 0.035 0.000 0.979 209 G HN 0.510 nan 8.290 nan 0.000 0.545 210 N N 2.298 121.034 118.700 0.060 0.000 2.313 210 N HA 0.199 4.944 4.740 0.007 0.000 0.207 210 N C 0.904 176.499 175.510 0.142 0.000 1.141 210 N CA 1.016 54.120 53.050 0.090 0.000 0.830 210 N CB 0.047 38.574 38.487 0.067 0.000 1.008 210 N HN 0.890 nan 8.380 nan 0.000 0.481 211 R N -0.281 120.293 120.500 0.124 0.000 2.888 211 R HA 0.655 4.999 4.340 0.007 0.000 0.266 211 R C -1.051 175.347 176.300 0.164 0.000 1.020 211 R CA -0.822 55.342 56.100 0.106 0.000 0.963 211 R CB 1.224 31.530 30.300 0.011 0.000 1.197 211 R HN -0.089 nan 8.270 nan 0.000 0.481 212 F N -1.809 118.139 119.950 -0.003 0.000 2.662 212 F HA 0.700 5.232 4.527 0.008 0.000 0.312 212 F C -1.816 173.969 175.800 -0.025 0.000 1.113 212 F CA -0.792 57.192 58.000 -0.026 0.000 0.951 212 F CB 2.308 41.273 39.000 -0.058 0.000 1.344 212 F HN 0.510 nan 8.300 nan 0.000 0.462 213 T N 1.531 116.188 114.554 0.172 0.000 2.991 213 T HA 0.595 4.949 4.350 0.007 0.000 0.303 213 T C -1.225 173.638 174.700 0.273 0.000 1.015 213 T CA -0.719 61.429 62.100 0.081 0.000 1.007 213 T CB 1.533 70.401 68.868 0.001 0.000 1.034 213 T HN 0.723 nan 8.240 nan 0.000 0.446 214 S N 2.659 118.575 115.700 0.360 0.000 2.513 214 S HA 0.657 5.132 4.470 0.007 0.000 0.299 214 S C -0.627 174.204 174.600 0.385 0.000 1.087 214 S CA -0.998 57.428 58.200 0.377 0.000 1.012 214 S CB 1.386 64.850 63.200 0.440 0.000 1.044 214 S HN 0.524 nan 8.310 nan 0.000 0.485 215 K N 1.088 121.660 120.400 0.287 0.000 2.426 215 K HA 0.862 5.186 4.320 0.007 0.000 0.251 215 K C -1.101 175.662 176.600 0.272 0.000 0.941 215 K CA -0.841 55.571 56.287 0.208 0.000 0.808 215 K CB 2.231 34.769 32.500 0.063 0.000 1.265 215 K HN 0.660 nan 8.250 nan 0.000 0.432 216 A N 1.478 124.445 122.820 0.246 0.000 2.604 216 A HA 0.448 4.772 4.320 0.007 0.000 0.295 216 A C -1.988 175.704 177.584 0.181 0.000 1.067 216 A CA -0.657 51.535 52.037 0.260 0.000 0.683 216 A CB 1.502 20.762 19.000 0.433 0.000 1.281 216 A HN 0.777 nan 8.150 nan 0.000 0.407 217 H N 1.873 120.992 119.070 0.082 0.000 2.529 217 H HA 0.718 5.278 4.556 0.007 0.000 0.348 217 H C -1.170 174.194 175.328 0.060 0.000 1.079 217 H CA -0.332 55.748 56.048 0.052 0.000 1.198 217 H CB 1.286 31.068 29.762 0.033 0.000 1.521 217 H HN 0.835 nan 8.280 nan 0.000 0.514 218 I N 1.410 121.724 120.570 -0.427 0.000 2.846 218 I HA 0.390 4.564 4.170 0.007 0.000 0.307 218 I C 0.071 176.009 176.117 -0.299 0.000 1.053 218 I CA -1.077 60.103 61.300 -0.200 0.000 1.050 218 I CB 1.983 39.929 38.000 -0.091 0.000 1.239 218 I HN 0.356 nan 8.210 nan 0.000 0.439 219 N N 2.251 120.917 118.700 -0.058 0.000 2.424 219 N HA 0.246 4.990 4.740 0.007 0.000 0.178 219 N C 0.458 175.961 175.510 -0.012 0.000 1.060 219 N CA 0.794 53.848 53.050 0.007 0.000 0.901 219 N CB 0.852 39.377 38.487 0.064 0.000 0.979 219 N HN 0.969 nan 8.380 nan 0.000 0.451 220 G N -0.738 108.045 108.800 -0.028 0.000 2.360 220 G HA2 0.056 4.021 3.960 0.007 0.000 0.276 220 G HA3 0.056 4.021 3.960 0.007 0.000 0.276 220 G C -1.376 173.518 174.900 -0.010 0.000 1.256 220 G CA -0.685 44.406 45.100 -0.014 0.000 0.890 220 G HN -0.017 nan 8.290 nan 0.000 0.486 221 S N -0.068 115.633 115.700 0.000 0.000 2.593 221 S HA 0.472 4.946 4.470 0.007 0.000 0.300 221 S C 0.280 174.883 174.600 0.005 0.000 1.267 221 S CA 1.293 59.495 58.200 0.003 0.000 1.065 221 S CB 0.677 63.882 63.200 0.009 0.000 0.807 221 S HN 1.192 nan 8.310 nan 0.000 0.499 222 T N 1.933 116.487 114.554 -0.000 0.000 2.827 222 T HA 0.444 4.798 4.350 0.007 0.000 0.328 222 T C -1.502 173.184 174.700 -0.023 0.000 1.598 222 T CA -0.598 61.504 62.100 0.002 0.000 1.043 222 T CB 1.460 70.335 68.868 0.011 0.000 1.447 222 T HN 0.432 nan 8.240 nan 0.000 0.491 223 T N 4.030 118.560 114.554 -0.040 0.000 2.815 223 T HA 0.636 4.990 4.350 0.007 0.000 0.289 223 T C -0.516 174.033 174.700 -0.252 0.000 1.000 223 T CA -0.522 61.488 62.100 -0.151 0.000 0.958 223 T CB 0.385 69.172 68.868 -0.134 0.000 0.944 223 T HN 0.617 nan 8.240 nan 0.000 0.442 224 L N 0.935 121.971 121.223 -0.311 0.000 2.332 224 L HA 0.870 5.214 4.340 0.007 0.000 0.269 224 L C -1.151 175.369 176.870 -0.583 0.000 1.016 224 L CA -1.219 53.462 54.840 -0.266 0.000 0.809 224 L CB 0.417 42.454 42.059 -0.036 0.000 1.280 224 L HN 0.425 nan 8.230 nan 0.000 0.447 225 Y N -1.394 118.893 120.300 -0.022 0.000 2.442 225 Y HA 0.762 5.316 4.550 0.007 0.000 0.344 225 Y C -0.293 175.521 175.900 -0.144 0.000 0.976 225 Y CA -0.648 57.412 58.100 -0.067 0.000 1.040 225 Y CB 2.723 41.154 38.460 -0.048 0.000 1.228 225 Y HN 0.656 nan 8.280 nan 0.000 0.451 226 T N 1.555 116.058 114.554 -0.085 0.000 2.886 226 T HA 0.502 4.857 4.350 0.007 0.000 0.292 226 T C -0.548 173.890 174.700 -0.437 0.000 1.012 226 T CA -1.009 60.911 62.100 -0.299 0.000 0.982 226 T CB 1.331 69.930 68.868 -0.449 0.000 1.018 226 T HN 0.629 nan 8.240 nan 0.000 0.451 227 T N 0.422 114.741 114.554 -0.392 0.000 2.859 227 T HA 0.735 5.089 4.350 0.007 0.000 0.281 227 T C -1.371 173.098 174.700 -0.385 0.000 1.005 227 T CA -0.725 61.164 62.100 -0.352 0.000 1.025 227 T CB 0.794 69.539 68.868 -0.204 0.000 0.977 227 T HN 0.412 nan 8.240 nan 0.000 0.458 228 Y N 0.531 120.777 120.300 -0.089 0.000 2.361 228 Y HA 0.626 5.181 4.550 0.008 0.000 0.337 228 Y C 0.036 175.749 175.900 -0.311 0.000 0.965 228 Y CA -1.138 56.828 58.100 -0.224 0.000 1.091 228 Y CB 2.323 40.793 38.460 0.018 0.000 1.182 228 Y HN 0.819 nan 8.280 nan 0.000 0.450 229 S N 1.898 117.387 115.700 -0.351 0.000 2.571 229 S HA 0.269 4.744 4.470 0.007 0.000 0.284 229 S C -1.710 172.812 174.600 -0.130 0.000 1.128 229 S CA -0.745 57.341 58.200 -0.190 0.000 0.970 229 S CB 1.005 64.190 63.200 -0.025 0.000 1.039 229 S HN 0.623 nan 8.310 nan 0.000 0.485 230 H N 3.158 122.206 119.070 -0.036 0.000 2.581 230 H HA 0.609 5.169 4.556 0.008 0.000 0.308 230 H C -1.339 174.114 175.328 0.209 0.000 1.040 230 H CA -0.794 55.385 56.048 0.218 0.000 1.231 230 H CB 0.017 29.997 29.762 0.364 0.000 1.396 230 H HN 0.492 nan 8.280 nan 0.000 0.467 231 L N 6.327 127.584 121.223 0.058 0.000 2.333 231 L HA 0.220 4.564 4.340 0.007 0.000 0.280 231 L C 0.164 176.943 176.870 -0.153 0.000 1.004 231 L CA -0.757 54.051 54.840 -0.053 0.000 0.820 231 L CB 1.737 43.820 42.059 0.040 0.000 1.247 231 L HN 0.539 nan 8.230 nan 0.000 0.416 232 L N 1.444 122.524 121.223 -0.238 0.000 2.529 232 L HA 0.167 4.511 4.340 0.007 0.000 0.223 232 L C 1.012 177.857 176.870 -0.043 0.000 1.113 232 L CA 0.531 55.233 54.840 -0.230 0.000 0.861 232 L CB -0.082 41.697 42.059 -0.467 0.000 1.012 232 L HN 0.773 nan 8.230 nan 0.000 0.461 233 T N -5.891 108.674 114.554 0.018 0.000 2.883 233 T HA 0.675 5.030 4.350 0.007 0.000 0.296 233 T C 0.968 175.691 174.700 0.038 0.000 1.117 233 T CA -0.239 61.892 62.100 0.053 0.000 1.006 233 T CB 1.756 70.672 68.868 0.080 0.000 1.191 233 T HN -0.137 nan 8.240 nan 0.000 0.508 234 A N 0.620 123.462 122.820 0.038 0.000 1.908 234 A HA -0.081 4.243 4.320 0.007 0.000 0.218 234 A C 2.166 179.762 177.584 0.021 0.000 1.181 234 A CA 1.847 53.902 52.037 0.030 0.000 0.627 234 A CB -1.148 17.867 19.000 0.026 0.000 0.818 234 A HN 0.808 nan 8.150 nan 0.000 0.445 235 Q N 0.077 119.887 119.800 0.016 0.000 2.124 235 Q HA -0.122 4.222 4.340 0.007 0.000 0.202 235 Q C 1.844 177.848 176.000 0.006 0.000 0.977 235 Q CA 1.761 57.568 55.803 0.007 0.000 0.850 235 Q CB -0.326 28.411 28.738 -0.002 0.000 0.901 235 Q HN 0.804 nan 8.270 nan 0.000 0.429 236 E N -0.295 119.910 120.200 0.009 0.000 2.072 236 E HA -0.125 4.229 4.350 0.007 0.000 0.191 236 E C 1.992 178.600 176.600 0.014 0.000 0.985 236 E CA 1.228 57.632 56.400 0.007 0.000 0.801 236 E CB -0.025 29.675 29.700 0.001 0.000 0.750 236 E HN 0.133 nan 8.360 nan 0.000 0.452 237 V N 1.305 121.231 119.914 0.021 0.000 2.287 237 V HA -0.291 3.833 4.120 0.007 0.000 0.248 237 V C 2.314 178.419 176.094 0.017 0.000 1.053 237 V CA 2.041 64.357 62.300 0.027 0.000 1.027 237 V CB -0.521 31.323 31.823 0.036 0.000 0.646 237 V HN 0.204 nan 8.190 nan 0.000 0.447 238 S N -0.246 115.462 115.700 0.012 0.000 2.348 238 S HA -0.227 4.248 4.470 0.007 0.000 0.221 238 S C 2.060 176.659 174.600 -0.001 0.000 1.033 238 S CA 1.707 59.911 58.200 0.006 0.000 1.010 238 S CB -0.409 62.794 63.200 0.005 0.000 0.891 238 S HN 0.600 nan 8.310 nan 0.000 0.442 239 K N 1.292 121.692 120.400 0.000 0.000 2.280 239 K HA -0.131 4.194 4.320 0.007 0.000 0.202 239 K C 1.761 178.358 176.600 -0.005 0.000 1.047 239 K CA 1.498 57.784 56.287 -0.001 0.000 0.942 239 K CB -0.113 32.388 32.500 0.003 0.000 0.739 239 K HN 0.229 nan 8.250 nan 0.000 0.457 240 E N 0.631 120.825 120.200 -0.009 0.000 2.216 240 E HA -0.087 4.267 4.350 0.007 0.000 0.192 240 E C 1.916 178.473 176.600 -0.072 0.000 0.988 240 E CA 0.747 57.131 56.400 -0.027 0.000 0.834 240 E CB 0.108 29.798 29.700 -0.016 0.000 0.772 240 E HN 0.249 nan 8.360 nan 0.000 0.479 241 Q N 0.117 119.878 119.800 -0.065 0.000 2.077 241 Q HA -0.217 4.127 4.340 0.007 0.000 0.206 241 Q C 2.323 178.267 176.000 -0.094 0.000 0.989 241 Q CA 2.074 57.819 55.803 -0.095 0.000 0.853 241 Q CB -0.751 27.962 28.738 -0.042 0.000 0.907 241 Q HN 0.607 nan 8.270 nan 0.000 0.418 242 M N -0.788 118.779 119.600 -0.054 0.000 2.229 242 M HA -0.090 4.395 4.480 0.007 0.000 0.264 242 M C 1.667 177.940 176.300 -0.046 0.000 1.063 242 M CA 1.410 56.685 55.300 -0.042 0.000 1.114 242 M CB -0.322 32.267 32.600 -0.020 0.000 1.387 242 M HN -0.079 nan 8.290 nan 0.000 0.420 243 Q N 1.377 121.147 119.800 -0.050 0.000 2.046 243 Q HA -0.016 4.328 4.340 0.007 0.000 0.200 243 Q C 2.402 178.320 176.000 -0.137 0.000 0.975 243 Q CA 1.353 57.125 55.803 -0.052 0.000 0.836 243 Q CB -0.446 28.270 28.738 -0.035 0.000 0.896 243 Q HN 0.608 nan 8.270 nan 0.000 0.428 244 I N 0.725 121.181 120.570 -0.190 0.000 2.208 244 I HA -0.258 3.917 4.170 0.007 0.000 0.245 244 I C 2.344 178.332 176.117 -0.216 0.000 1.097 244 I CA 1.307 62.438 61.300 -0.281 0.000 1.363 244 I CB -0.795 36.918 38.000 -0.478 0.000 1.051 244 I HN 0.239 nan 8.210 nan 0.000 0.413 245 R N 0.459 120.868 120.500 -0.152 0.000 2.073 245 R HA -0.207 4.137 4.340 0.007 0.000 0.234 245 R C 2.009 178.275 176.300 -0.056 0.000 1.134 245 R CA 1.884 57.930 56.100 -0.091 0.000 0.952 245 R CB -0.423 29.841 30.300 -0.061 0.000 0.850 245 R HN 0.338 nan 8.270 nan 0.000 0.433 246 D N 0.583 120.964 120.400 -0.032 0.000 2.144 246 D HA -0.120 4.524 4.640 0.007 0.000 0.199 246 D C 1.783 178.145 176.300 0.102 0.000 0.984 246 D CA 1.031 55.057 54.000 0.044 0.000 0.834 246 D CB 0.037 40.898 40.800 0.102 0.000 0.955 246 D HN 0.136 nan 8.370 nan 0.000 0.465 247 I N -0.003 120.525 120.570 -0.069 0.000 2.179 247 I HA -0.244 3.930 4.170 0.007 0.000 0.242 247 I C 2.247 178.303 176.117 -0.101 0.000 1.088 247 I CA 0.796 61.953 61.300 -0.238 0.000 1.357 247 I CB -0.235 37.432 38.000 -0.554 0.000 1.051 247 I HN 0.117 nan 8.210 nan 0.000 0.409 248 L N 0.306 121.462 121.223 -0.112 0.000 2.275 248 L HA -0.131 4.213 4.340 0.007 0.000 0.215 248 L C 2.664 179.500 176.870 -0.057 0.000 1.119 248 L CA 0.821 55.610 54.840 -0.084 0.000 0.790 248 L CB -0.614 41.413 42.059 -0.053 0.000 0.919 248 L HN 0.251 nan 8.230 nan 0.000 0.443 249 A N 0.391 123.196 122.820 -0.025 0.000 1.903 249 A HA -0.006 4.318 4.320 0.007 0.000 0.213 249 A C 1.534 179.115 177.584 -0.005 0.000 1.185 249 A CA 0.668 52.699 52.037 -0.010 0.000 0.628 249 A CB 0.019 19.016 19.000 -0.004 0.000 0.830 249 A HN 0.360 nan 8.150 nan 0.000 0.446 250 R N -0.345 120.183 120.500 0.045 0.000 2.886 250 R HA 0.186 4.531 4.340 0.007 0.000 0.306 250 R C -2.174 174.206 176.300 0.133 0.000 1.300 250 R CA -1.472 54.667 56.100 0.065 0.000 1.441 250 R CB 0.583 30.903 30.300 0.034 0.000 1.328 250 R HN 0.346 nan 8.270 nan 0.000 0.629 251 P HA -0.265 nan 4.420 nan 0.000 0.216 251 P C 1.276 178.539 177.300 -0.062 0.000 1.153 251 P CA 1.714 64.674 63.100 -0.233 0.000 0.858 251 P CB 0.350 31.397 31.700 -1.088 0.000 0.789 252 A N -0.665 122.127 122.820 -0.047 0.000 1.978 252 A HA -0.184 4.141 4.320 0.007 0.000 0.220 252 A C 2.171 179.792 177.584 0.060 0.000 1.170 252 A CA 1.382 53.440 52.037 0.035 0.000 0.636 252 A CB -1.857 17.173 19.000 0.050 0.000 0.810 252 A HN 0.200 nan 8.150 nan 0.000 0.448 253 F N -0.846 119.064 119.950 -0.066 0.000 2.134 253 F HA -0.178 4.353 4.527 0.007 0.000 0.299 253 F C 2.051 177.731 175.800 -0.201 0.000 1.097 253 F CA 1.765 59.669 58.000 -0.159 0.000 1.264 253 F CB -0.250 38.586 39.000 -0.273 0.000 1.001 253 F HN 0.291 nan 8.300 nan 0.000 0.479 254 Y N 0.380 120.695 120.300 0.024 0.000 2.200 254 Y HA -0.157 4.397 4.550 0.007 0.000 0.290 254 Y C 2.311 178.178 175.900 -0.055 0.000 1.137 254 Y CA 1.577 59.657 58.100 -0.033 0.000 1.163 254 Y CB -0.760 37.740 38.460 0.066 0.000 0.988 254 Y HN 0.028 nan 8.280 nan 0.000 0.518 255 L N -1.004 120.290 121.223 0.117 0.000 2.012 255 L HA -0.263 4.082 4.340 0.007 0.000 0.210 255 L C 2.293 179.185 176.870 0.036 0.000 1.073 255 L CA 1.852 56.749 54.840 0.095 0.000 0.748 255 L CB -0.997 41.123 42.059 0.101 0.000 0.891 255 L HN 0.207 nan 8.230 nan 0.000 0.431 256 T N -0.169 114.356 114.554 -0.047 0.000 2.777 256 T HA -0.148 4.206 4.350 0.007 0.000 0.266 256 T C 2.049 176.676 174.700 -0.122 0.000 1.040 256 T CA 1.201 63.254 62.100 -0.079 0.000 1.141 256 T CB -0.277 68.519 68.868 -0.120 0.000 0.868 256 T HN 0.445 nan 8.240 nan 0.000 0.444 257 A N 1.354 124.013 122.820 -0.269 0.000 1.873 257 A HA -0.181 4.143 4.320 0.007 0.000 0.218 257 A C 2.582 180.155 177.584 -0.019 0.000 1.193 257 A CA 2.461 54.348 52.037 -0.251 0.000 0.629 257 A CB -1.246 17.519 19.000 -0.391 0.000 0.826 257 A HN 0.488 nan 8.150 nan 0.000 0.447 258 S N -1.254 114.506 115.700 0.099 0.000 2.368 258 S HA -0.251 4.224 4.470 0.007 0.000 0.225 258 S C 2.215 177.005 174.600 0.317 0.000 1.030 258 S CA 1.716 60.086 58.200 0.284 0.000 0.999 258 S CB -0.417 62.976 63.200 0.322 0.000 0.844 258 S HN 0.656 nan 8.310 nan 0.000 0.459 259 Q N 0.172 120.080 119.800 0.181 0.000 2.014 259 Q HA -0.216 4.128 4.340 0.007 0.000 0.207 259 Q C 2.425 178.511 176.000 0.144 0.000 0.993 259 Q CA 2.170 58.066 55.803 0.157 0.000 0.850 259 Q CB -0.222 28.566 28.738 0.083 0.000 0.916 259 Q HN 0.713 nan 8.270 nan 0.000 0.417 260 Q N -0.471 119.363 119.800 0.058 0.000 2.167 260 Q HA -0.153 4.192 4.340 0.007 0.000 0.202 260 Q C 2.114 178.082 176.000 -0.053 0.000 0.970 260 Q CA 0.935 56.741 55.803 0.005 0.000 0.855 260 Q CB -0.151 28.563 28.738 -0.041 0.000 0.911 260 Q HN 0.255 nan 8.270 nan 0.000 0.438 261 R N 0.128 120.586 120.500 -0.071 0.000 2.083 261 R HA -0.183 4.161 4.340 0.007 0.000 0.237 261 R C 1.563 177.481 176.300 -0.637 0.000 1.137 261 R CA 1.725 57.632 56.100 -0.321 0.000 0.951 261 R CB -0.110 30.088 30.300 -0.170 0.000 0.851 261 R HN 0.297 nan 8.270 nan 0.000 0.434 262 W N 0.859 122.047 121.300 -0.187 0.000 2.436 262 W HA -0.031 4.633 4.660 0.007 0.000 0.284 262 W C 2.223 178.765 176.519 0.038 0.000 1.225 262 W CA 0.332 57.693 57.345 0.026 0.000 1.271 262 W CB 0.057 29.647 29.460 0.217 0.000 1.114 262 W HN 0.105 nan 8.180 nan 0.000 0.559 263 E N 0.272 120.585 120.200 0.188 0.000 2.153 263 E HA -0.233 4.121 4.350 0.007 0.000 0.194 263 E C 1.781 178.423 176.600 0.069 0.000 0.988 263 E CA 1.399 57.884 56.400 0.143 0.000 0.811 263 E CB -0.428 29.330 29.700 0.098 0.000 0.746 263 E HN 0.521 nan 8.360 nan 0.000 0.466 264 E N -0.321 119.846 120.200 -0.055 0.000 2.106 264 E HA -0.173 4.181 4.350 0.007 0.000 0.192 264 E C 1.676 178.267 176.600 -0.014 0.000 0.984 264 E CA 0.608 56.955 56.400 -0.088 0.000 0.806 264 E CB -0.017 29.560 29.700 -0.205 0.000 0.750 264 E HN 0.183 nan 8.360 nan 0.000 0.458 265 Y N 0.842 121.135 120.300 -0.012 0.000 2.145 265 Y HA -0.199 4.355 4.550 0.007 0.000 0.286 265 Y C 2.233 178.140 175.900 0.011 0.000 1.145 265 Y CA 1.063 59.151 58.100 -0.021 0.000 1.148 265 Y CB -0.659 37.689 38.460 -0.187 0.000 0.981 265 Y HN 0.083 nan 8.280 nan 0.000 0.507 266 L N -0.504 120.850 121.223 0.219 0.000 2.056 266 L HA -0.203 4.142 4.340 0.007 0.000 0.207 266 L C 2.451 179.407 176.870 0.143 0.000 1.078 266 L CA 1.570 56.499 54.840 0.150 0.000 0.749 266 L CB -0.581 41.597 42.059 0.199 0.000 0.901 266 L HN 0.076 nan 8.230 nan 0.000 0.433 267 K N 1.086 121.567 120.400 0.134 0.000 1.991 267 K HA -0.178 4.146 4.320 0.007 0.000 0.212 267 K C 2.036 178.710 176.600 0.122 0.000 1.049 267 K CA 1.686 58.041 56.287 0.113 0.000 0.932 267 K CB -0.101 32.446 32.500 0.078 0.000 0.717 267 K HN 0.091 nan 8.250 nan 0.000 0.441 268 K N -1.112 119.362 120.400 0.125 0.000 2.148 268 K HA -0.026 4.299 4.320 0.007 0.000 0.204 268 K C 2.073 178.806 176.600 0.221 0.000 1.050 268 K CA 1.248 57.619 56.287 0.141 0.000 0.942 268 K CB -0.102 32.466 32.500 0.113 0.000 0.724 268 K HN 0.396 nan 8.250 nan 0.000 0.446 269 G N 1.014 109.962 108.800 0.246 0.000 2.459 269 G HA2 -0.018 3.946 3.960 0.007 0.000 0.213 269 G HA3 -0.018 3.946 3.960 0.007 0.000 0.213 269 G C 0.751 175.891 174.900 0.400 0.000 1.155 269 G CA -0.174 45.127 45.100 0.336 0.000 0.811 269 G HN 0.063 nan 8.290 nan 0.000 0.534 270 L N 3.197 124.574 121.223 0.258 0.000 2.423 270 L HA 0.236 4.580 4.340 0.007 0.000 0.249 270 L C 0.812 177.863 176.870 0.302 0.000 1.276 270 L CA -0.098 54.924 54.840 0.304 0.000 1.199 270 L CB 0.062 42.224 42.059 0.172 0.000 1.407 270 L HN 0.155 nan 8.230 nan 0.000 0.410 271 T N -3.402 111.331 114.554 0.298 0.000 3.269 271 T HA 0.136 4.490 4.350 0.007 0.000 0.269 271 T C 0.339 175.052 174.700 0.022 0.000 0.993 271 T CA -0.556 61.632 62.100 0.146 0.000 0.909 271 T CB -0.287 68.658 68.868 0.129 0.000 1.115 271 T HN 0.247 nan 8.240 nan 0.000 0.543 272 N N 2.585 121.263 118.700 -0.037 0.000 2.696 272 N HA 0.334 5.079 4.740 0.007 0.000 0.246 272 N C -1.604 173.860 175.510 -0.076 0.000 1.057 272 N CA -2.440 50.480 53.050 -0.216 0.000 0.867 272 N CB 1.907 39.993 38.487 -0.669 0.000 1.141 272 N HN 0.016 nan 8.380 nan 0.000 0.517 273 P HA -0.044 nan 4.420 nan 0.000 0.222 273 P C -0.061 177.241 177.300 0.003 0.000 1.147 273 P CA 0.910 64.019 63.100 0.015 0.000 0.790 273 P CB 0.583 32.291 31.700 0.013 0.000 0.780 274 D N 0.086 120.466 120.400 -0.033 0.000 2.347 274 D HA 0.086 4.730 4.640 0.007 0.000 0.213 274 D C 1.060 177.348 176.300 -0.020 0.000 0.985 274 D CA 0.297 54.281 54.000 -0.026 0.000 0.879 274 D CB -0.256 40.520 40.800 -0.040 0.000 0.919 274 D HN 0.166 nan 8.370 nan 0.000 0.526 275 A N 1.190 123.998 122.820 -0.020 0.000 2.425 275 A HA 0.373 4.698 4.320 0.007 0.000 0.249 275 A C 0.995 178.618 177.584 0.065 0.000 1.084 275 A CA -0.321 51.733 52.037 0.030 0.000 0.781 275 A CB 0.149 19.219 19.000 0.117 0.000 1.019 275 A HN 0.169 nan 8.150 nan 0.000 0.490 276 T N 0.436 114.998 114.554 0.014 0.000 2.788 276 T HA 0.363 4.717 4.350 0.007 0.000 0.287 276 T C -1.869 172.882 174.700 0.084 0.000 1.007 276 T CA -1.093 61.020 62.100 0.022 0.000 1.005 276 T CB 0.454 69.299 68.868 -0.038 0.000 1.012 276 T HN 0.321 nan 8.240 nan 0.000 0.530 277 P HA -0.053 nan 4.420 nan 0.000 0.215 277 P C 1.265 178.658 177.300 0.156 0.000 1.153 277 P CA 1.004 64.181 63.100 0.129 0.000 0.853 277 P CB 0.038 31.794 31.700 0.094 0.000 0.788 278 E N -0.433 119.853 120.200 0.143 0.000 2.072 278 E HA -0.174 4.180 4.350 0.007 0.000 0.191 278 E C 2.119 178.884 176.600 0.275 0.000 0.985 278 E CA 1.218 57.745 56.400 0.213 0.000 0.801 278 E CB -0.887 28.974 29.700 0.268 0.000 0.750 278 E HN 0.409 nan 8.360 nan 0.000 0.452 279 Q N -0.243 119.642 119.800 0.142 0.000 2.119 279 Q HA -0.061 4.283 4.340 0.007 0.000 0.201 279 Q C 1.989 178.143 176.000 0.257 0.000 0.972 279 Q CA 1.577 57.457 55.803 0.127 0.000 0.847 279 Q CB -0.129 28.517 28.738 -0.154 0.000 0.903 279 Q HN 0.225 nan 8.270 nan 0.000 0.433 280 T N 0.796 115.471 114.554 0.202 0.000 2.867 280 T HA -0.137 4.218 4.350 0.007 0.000 0.268 280 T C 1.689 176.342 174.700 -0.079 0.000 1.057 280 T CA 1.106 63.228 62.100 0.037 0.000 1.136 280 T CB -0.115 68.864 68.868 0.186 0.000 0.874 280 T HN 0.251 nan 8.240 nan 0.000 0.466 281 R N 0.705 121.258 120.500 0.088 0.000 2.115 281 R HA -0.040 4.304 4.340 0.007 0.000 0.230 281 R C 2.183 178.502 176.300 0.031 0.000 1.111 281 R CA 0.887 57.034 56.100 0.079 0.000 0.976 281 R CB -0.382 30.029 30.300 0.185 0.000 0.870 281 R HN 0.215 nan 8.270 nan 0.000 0.445 282 V N 1.006 120.985 119.914 0.109 0.000 2.343 282 V HA -0.213 3.911 4.120 0.007 0.000 0.247 282 V C 2.448 178.580 176.094 0.064 0.000 1.051 282 V CA 1.896 64.293 62.300 0.160 0.000 1.036 282 V CB -0.611 31.425 31.823 0.354 0.000 0.654 282 V HN 0.545 nan 8.190 nan 0.000 0.451 283 A N -0.262 122.488 122.820 -0.117 0.000 1.933 283 A HA -0.145 4.179 4.320 0.007 0.000 0.218 283 A C 2.354 179.805 177.584 -0.222 0.000 1.175 283 A CA 1.954 53.833 52.037 -0.263 0.000 0.628 283 A CB -0.596 17.802 19.000 -1.003 0.000 0.814 283 A HN 0.354 nan 8.150 nan 0.000 0.444 284 V N 0.140 119.878 119.914 -0.293 0.000 2.515 284 V HA -0.237 3.887 4.120 0.007 0.000 0.250 284 V C 2.474 178.496 176.094 -0.120 0.000 1.058 284 V CA 2.254 64.373 62.300 -0.303 0.000 1.064 284 V CB -0.634 30.864 31.823 -0.542 0.000 0.675 284 V HN 0.672 nan 8.190 nan 0.000 0.461 285 K N 0.412 120.787 120.400 -0.042 0.000 2.057 285 K HA -0.161 4.163 4.320 0.007 0.000 0.207 285 K C 2.202 178.831 176.600 0.049 0.000 1.049 285 K CA 1.510 57.820 56.287 0.038 0.000 0.931 285 K CB -0.295 32.252 32.500 0.079 0.000 0.714 285 K HN 0.431 nan 8.250 nan 0.000 0.440 286 A N 1.197 124.041 122.820 0.039 0.000 1.898 286 A HA -0.110 4.215 4.320 0.007 0.000 0.216 286 A C 2.055 179.612 177.584 -0.045 0.000 1.181 286 A CA 1.316 53.386 52.037 0.055 0.000 0.620 286 A CB -0.505 18.574 19.000 0.131 0.000 0.819 286 A HN 0.327 nan 8.150 nan 0.000 0.442 287 I N -0.586 119.849 120.570 -0.225 0.000 2.226 287 I HA -0.242 3.932 4.170 0.007 0.000 0.245 287 I C 2.519 178.594 176.117 -0.070 0.000 1.100 287 I CA 1.496 62.512 61.300 -0.474 0.000 1.374 287 I CB -0.434 37.123 38.000 -0.738 0.000 1.057 287 I HN 0.432 nan 8.210 nan 0.000 0.413 288 E N 0.295 120.551 120.200 0.094 0.000 2.077 288 E HA -0.173 4.181 4.350 0.007 0.000 0.193 288 E C 2.159 178.900 176.600 0.235 0.000 0.989 288 E CA 1.800 58.364 56.400 0.273 0.000 0.800 288 E CB -0.055 29.758 29.700 0.189 0.000 0.746 288 E HN 0.462 nan 8.360 nan 0.000 0.452 289 T N 1.596 116.240 114.554 0.150 0.000 2.674 289 T HA -0.133 4.222 4.350 0.007 0.000 0.265 289 T C 2.006 176.775 174.700 0.115 0.000 1.039 289 T CA 0.847 63.028 62.100 0.136 0.000 1.150 289 T CB -0.239 68.698 68.868 0.114 0.000 0.864 289 T HN 0.068 nan 8.240 nan 0.000 0.427 290 L N 1.058 122.341 121.223 0.100 0.000 2.017 290 L HA -0.120 4.225 4.340 0.007 0.000 0.208 290 L C 2.586 179.527 176.870 0.119 0.000 1.073 290 L CA 1.082 55.976 54.840 0.089 0.000 0.745 290 L CB -0.565 41.574 42.059 0.133 0.000 0.894 290 L HN 0.188 nan 8.230 nan 0.000 0.432 291 N N 0.192 118.986 118.700 0.157 0.000 2.223 291 N HA -0.119 4.625 4.740 0.007 0.000 0.185 291 N C 1.764 177.443 175.510 0.282 0.000 1.016 291 N CA 1.380 54.578 53.050 0.247 0.000 0.863 291 N CB -0.455 38.110 38.487 0.130 0.000 0.983 291 N HN 0.356 nan 8.380 nan 0.000 0.429 292 G N 0.193 109.120 108.800 0.212 0.000 2.484 292 G HA2 -0.146 3.818 3.960 0.007 0.000 0.218 292 G HA3 -0.146 3.818 3.960 0.007 0.000 0.218 292 G C 1.335 176.197 174.900 -0.064 0.000 1.130 292 G CA 0.232 45.400 45.100 0.113 0.000 0.784 292 G HN 0.261 nan 8.290 nan 0.000 0.543 293 N N -0.496 118.197 118.700 -0.012 0.000 2.398 293 N HA 0.043 4.787 4.740 0.007 0.000 0.188 293 N C 0.051 175.544 175.510 -0.029 0.000 1.122 293 N CA -0.329 52.669 53.050 -0.086 0.000 0.866 293 N CB 0.074 38.538 38.487 -0.039 0.000 0.970 293 N HN 0.519 nan 8.380 nan 0.000 0.462 294 W N 3.115 124.313 121.300 -0.171 0.000 2.266 294 W HA 0.325 4.989 4.660 0.007 0.000 0.317 294 W C -0.499 175.900 176.519 -0.199 0.000 1.310 294 W CA -0.776 56.478 57.345 -0.152 0.000 1.207 294 W CB 0.458 29.847 29.460 -0.119 0.000 1.199 294 W HN -0.225 nan 8.180 nan 0.000 0.544 295 R N 4.684 125.263 120.500 0.132 0.000 2.621 295 R HA 0.331 4.676 4.340 0.007 0.000 0.292 295 R C 0.137 176.567 176.300 0.217 0.000 0.969 295 R CA -0.677 55.336 56.100 -0.145 0.000 0.887 295 R CB 1.650 31.776 30.300 -0.290 0.000 1.180 295 R HN 0.717 nan 8.270 nan 0.000 0.450 296 S N 2.122 117.958 115.700 0.226 0.000 2.617 296 S HA 0.372 4.846 4.470 0.007 0.000 0.259 296 S C -2.298 172.572 174.600 0.451 0.000 1.301 296 S CA -1.116 57.315 58.200 0.385 0.000 0.984 296 S CB 0.182 63.579 63.200 0.328 0.000 0.954 296 S HN 0.262 nan 8.310 nan 0.000 0.572 297 P HA 0.384 nan 4.420 nan 0.000 0.266 297 P C -0.201 177.158 177.300 0.098 0.000 1.195 297 P CA 0.373 63.576 63.100 0.171 0.000 0.768 297 P CB 0.282 32.003 31.700 0.035 0.000 0.838 298 G N 1.010 109.773 108.800 -0.061 0.000 2.761 298 G HA2 0.528 4.492 3.960 0.007 0.000 0.296 298 G HA3 0.528 4.492 3.960 0.007 0.000 0.296 298 G C -0.073 174.132 174.900 -1.157 0.000 1.416 298 G CA 0.130 44.866 45.100 -0.607 0.000 1.105 298 G HN 0.785 nan 8.290 nan 0.000 0.565 299 G N 1.093 108.603 108.800 -2.149 0.000 2.596 299 G HA2 0.100 4.065 3.960 0.007 0.000 0.295 299 G HA3 0.100 4.065 3.960 0.007 0.000 0.295 299 G C 1.665 176.168 174.900 -0.661 0.000 1.240 299 G CA 1.634 45.626 45.100 -1.848 0.000 0.985 299 G HN 2.131 nan 8.290 nan 0.000 0.555 300 A N -0.915 121.691 122.820 -0.358 0.000 2.067 300 A HA 0.411 4.736 4.320 0.007 0.000 0.219 300 A C 1.430 179.192 177.584 0.296 0.000 1.158 300 A CA 2.046 54.089 52.037 0.009 0.000 0.661 300 A CB -0.230 18.699 19.000 -0.118 0.000 0.801 300 A HN 1.517 nan 8.150 nan 0.000 0.452 301 V N 1.699 121.709 119.914 0.159 0.000 2.372 301 V HA 0.117 4.241 4.120 0.007 0.000 0.261 301 V C 0.561 176.748 176.094 0.155 0.000 1.055 301 V CA -0.277 62.202 62.300 0.299 0.000 0.930 301 V CB 0.968 32.931 31.823 0.234 0.000 1.031 301 V HN 0.250 nan 8.190 nan 0.000 0.479 302 K N 3.948 124.431 120.400 0.139 0.000 2.476 302 K HA 0.306 4.630 4.320 0.007 0.000 0.196 302 K C -0.486 175.829 176.600 -0.475 0.000 1.025 302 K CA 0.306 56.471 56.287 -0.203 0.000 1.138 302 K CB -0.085 32.206 32.500 -0.348 0.000 0.860 302 K HN 0.511 nan 8.250 nan 0.000 0.515 303 F N -0.100 119.920 119.950 0.117 0.000 2.620 303 F HA 0.303 4.834 4.527 0.007 0.000 0.320 303 F C 0.761 176.653 175.800 0.153 0.000 1.069 303 F CA -1.151 56.920 58.000 0.118 0.000 0.953 303 F CB 0.821 39.886 39.000 0.108 0.000 1.322 303 F HN -0.211 nan 8.300 nan 0.000 0.479 304 N N 0.677 119.596 118.700 0.365 0.000 2.479 304 N HA 0.251 4.996 4.740 0.007 0.000 0.257 304 N C -0.331 175.334 175.510 0.259 0.000 1.232 304 N CA 0.571 53.828 53.050 0.345 0.000 0.920 304 N CB 1.404 40.082 38.487 0.318 0.000 1.105 304 N HN 0.639 nan 8.380 nan 0.000 0.444 305 T N -0.308 114.398 114.554 0.254 0.000 2.754 305 T HA 0.531 4.885 4.350 0.007 0.000 0.296 305 T C -1.627 173.145 174.700 0.120 0.000 1.205 305 T CA -0.498 61.682 62.100 0.133 0.000 1.009 305 T CB 1.058 69.998 68.868 0.120 0.000 1.368 305 T HN 0.047 nan 8.240 nan 0.000 0.509 306 V N 2.427 122.361 119.914 0.034 0.000 2.623 306 V HA 0.614 4.738 4.120 0.007 0.000 0.304 306 V C 0.362 176.457 176.094 0.001 0.000 1.054 306 V CA -0.725 61.584 62.300 0.015 0.000 0.882 306 V CB 1.639 33.438 31.823 -0.041 0.000 1.002 306 V HN 1.143 nan 8.190 nan 0.000 0.424 307 T N 2.129 116.686 114.554 0.005 0.000 2.936 307 T HA 0.496 4.851 4.350 0.007 0.000 0.282 307 T C -2.007 172.689 174.700 -0.006 0.000 1.003 307 T CA -2.082 60.055 62.100 0.061 0.000 1.005 307 T CB 2.121 71.045 68.868 0.093 0.000 1.097 307 T HN 0.367 nan 8.240 nan 0.000 0.532 308 P HA 0.077 nan 4.420 nan 0.000 0.218 308 P C 0.167 177.423 177.300 -0.073 0.000 1.148 308 P CA 0.838 63.765 63.100 -0.288 0.000 0.822 308 P CB 0.206 31.429 31.700 -0.796 0.000 0.784 309 S N -2.344 113.420 115.700 0.107 0.000 2.561 309 S HA 0.112 4.586 4.470 0.007 0.000 0.292 309 S C 0.298 174.942 174.600 0.074 0.000 1.107 309 S CA -0.643 57.639 58.200 0.138 0.000 0.969 309 S CB 0.484 63.846 63.200 0.270 0.000 1.150 309 S HN -0.182 nan 8.310 nan 0.000 0.451 310 V N 4.936 124.800 119.914 -0.083 0.000 2.720 310 V HA -0.037 4.087 4.120 0.007 0.000 0.256 310 V C 2.022 178.021 176.094 -0.158 0.000 1.082 310 V CA 2.888 65.024 62.300 -0.272 0.000 1.101 310 V CB -0.529 30.893 31.823 -0.668 0.000 0.693 310 V HN 1.071 nan 8.190 nan 0.000 0.479 311 T N -2.461 112.082 114.554 -0.018 0.000 3.086 311 T HA 0.325 4.679 4.350 0.007 0.000 0.250 311 T C 0.927 175.667 174.700 0.067 0.000 1.074 311 T CA 0.337 62.466 62.100 0.049 0.000 0.988 311 T CB -0.013 68.926 68.868 0.118 0.000 0.988 311 T HN 0.574 nan 8.240 nan 0.000 0.530 312 G N 1.324 110.178 108.800 0.089 0.000 2.483 312 G HA2 0.355 4.320 3.960 0.007 0.000 0.248 312 G HA3 0.355 4.320 3.960 0.007 0.000 0.248 312 G C 0.795 175.694 174.900 -0.001 0.000 1.248 312 G CA -0.724 44.444 45.100 0.115 0.000 0.838 312 G HN 0.205 nan 8.290 nan 0.000 0.566 313 R N 1.114 121.553 120.500 -0.102 0.000 2.091 313 R HA -0.096 4.248 4.340 0.007 0.000 0.238 313 R C 1.089 176.970 176.300 -0.698 0.000 1.136 313 R CA 1.807 57.517 56.100 -0.650 0.000 0.959 313 R CB -0.248 29.403 30.300 -1.081 0.000 0.856 313 R HN 0.745 nan 8.270 nan 0.000 0.437 314 W N -2.155 119.028 121.300 -0.195 0.000 2.653 314 W HA 0.310 4.974 4.660 0.008 0.000 0.391 314 W C -0.163 176.419 176.519 0.105 0.000 0.962 314 W CA -0.758 56.555 57.345 -0.052 0.000 1.900 314 W CB 0.575 29.968 29.460 -0.112 0.000 1.176 314 W HN -0.095 nan 8.180 nan 0.000 0.582 315 F N -0.773 119.373 119.950 0.327 0.000 2.683 315 F HA 0.332 4.864 4.527 0.008 0.000 0.306 315 F C 1.354 177.253 175.800 0.165 0.000 1.102 315 F CA -0.782 57.398 58.000 0.299 0.000 1.244 315 F CB -0.486 38.620 39.000 0.177 0.000 1.029 315 F HN -0.321 nan 8.300 nan 0.000 0.545 316 S N -0.747 115.081 115.700 0.212 0.000 2.566 316 S HA 0.668 5.142 4.470 0.007 0.000 0.277 316 S C 1.115 175.693 174.600 -0.037 0.000 1.150 316 S CA 0.357 58.575 58.200 0.029 0.000 1.032 316 S CB 0.296 63.486 63.200 -0.016 0.000 1.157 316 S HN 0.602 nan 8.310 nan 0.000 0.507 317 G N 1.899 110.628 108.800 -0.119 0.000 2.582 317 G HA2 -0.293 3.671 3.960 0.007 0.000 0.288 317 G HA3 -0.293 3.671 3.960 0.007 0.000 0.288 317 G C -0.083 174.732 174.900 -0.141 0.000 1.247 317 G CA 0.577 45.649 45.100 -0.047 0.000 0.972 317 G HN 1.174 nan 8.290 nan 0.000 0.557 318 N N 0.654 119.438 118.700 0.140 0.000 2.401 318 N HA 0.156 4.900 4.740 0.007 0.000 0.264 318 N C 0.296 175.851 175.510 0.075 0.000 1.238 318 N CA 0.127 53.247 53.050 0.116 0.000 0.889 318 N CB 0.272 38.978 38.487 0.365 0.000 1.196 318 N HN 0.817 nan 8.380 nan 0.000 0.511 319 Q N 0.579 120.403 119.800 0.039 0.000 2.274 319 Q HA 0.156 4.500 4.340 0.007 0.000 0.280 319 Q C -0.525 175.424 176.000 -0.085 0.000 1.047 319 Q CA 0.694 56.434 55.803 -0.105 0.000 0.907 319 Q CB 0.435 29.165 28.738 -0.013 0.000 1.171 319 Q HN 0.211 nan 8.270 nan 0.000 0.381 320 T N 2.779 117.127 114.554 -0.342 0.000 2.861 320 T HA 0.463 4.817 4.350 0.007 0.000 0.287 320 T C -0.895 173.590 174.700 -0.359 0.000 1.003 320 T CA -0.754 61.243 62.100 -0.171 0.000 0.977 320 T CB 1.078 69.856 68.868 -0.149 0.000 0.996 320 T HN 0.422 nan 8.240 nan 0.000 0.448 321 W N 2.173 123.344 121.300 -0.215 0.000 2.689 321 W HA 0.289 4.953 4.660 0.007 0.000 0.340 321 W C -2.214 174.068 176.519 -0.395 0.000 1.060 321 W CA -2.353 54.851 57.345 -0.236 0.000 1.218 321 W CB 1.932 31.331 29.460 -0.102 0.000 1.410 321 W HN 0.488 nan 8.180 nan 0.000 0.528 322 P HA -0.189 nan 4.420 nan 0.000 0.215 322 P C 1.824 178.468 177.300 -1.093 0.000 1.157 322 P CA 1.810 64.406 63.100 -0.841 0.000 0.859 322 P CB 0.193 31.623 31.700 -0.449 0.000 0.786 323 W N 1.530 122.521 121.300 -0.515 0.000 2.317 323 W HA -0.237 4.427 4.660 0.007 0.000 0.318 323 W C 1.022 177.306 176.519 -0.392 0.000 1.227 323 W CA 2.029 59.164 57.345 -0.351 0.000 1.269 323 W CB -0.704 28.674 29.460 -0.136 0.000 1.155 323 W HN -0.036 nan 8.180 nan 0.000 0.484 324 D N -0.313 119.924 120.400 -0.271 0.000 2.144 324 D HA -0.182 4.462 4.640 0.007 0.000 0.199 324 D C 2.178 178.266 176.300 -0.353 0.000 0.984 324 D CA 2.493 56.304 54.000 -0.315 0.000 0.834 324 D CB -0.688 40.049 40.800 -0.104 0.000 0.955 324 D HN 0.019 nan 8.370 nan 0.000 0.465 325 T N -0.461 113.837 114.554 -0.427 0.000 2.788 325 T HA -0.148 4.206 4.350 0.007 0.000 0.268 325 T C 1.581 176.186 174.700 -0.158 0.000 1.044 325 T CA 0.944 62.819 62.100 -0.375 0.000 1.139 325 T CB -0.447 68.091 68.868 -0.550 0.000 0.867 325 T HN 0.386 nan 8.240 nan 0.000 0.454 326 W N 2.368 123.632 121.300 -0.060 0.000 2.335 326 W HA -0.145 4.519 4.660 0.008 0.000 0.311 326 W C 2.526 179.101 176.519 0.094 0.000 1.213 326 W CA 0.726 58.105 57.345 0.057 0.000 1.274 326 W CB -0.186 29.315 29.460 0.068 0.000 1.148 326 W HN 0.288 nan 8.180 nan 0.000 0.498 327 K N 0.724 121.197 120.400 0.121 0.000 2.103 327 K HA -0.092 4.232 4.320 0.007 0.000 0.204 327 K C 1.785 178.324 176.600 -0.102 0.000 1.052 327 K CA 1.273 57.567 56.287 0.012 0.000 0.945 327 K CB -0.774 31.571 32.500 -0.258 0.000 0.722 327 K HN 0.254 nan 8.250 nan 0.000 0.443 328 Q N 0.990 120.708 119.800 -0.136 0.000 2.030 328 Q HA -0.118 4.227 4.340 0.007 0.000 0.204 328 Q C 2.379 178.289 176.000 -0.149 0.000 0.986 328 Q CA 1.982 57.696 55.803 -0.149 0.000 0.843 328 Q CB -0.318 28.327 28.738 -0.154 0.000 0.904 328 Q HN 0.538 nan 8.270 nan 0.000 0.420 329 A N 0.117 122.879 122.820 -0.096 0.000 1.969 329 A HA -0.173 4.151 4.320 0.007 0.000 0.218 329 A C 1.851 179.331 177.584 -0.173 0.000 1.169 329 A CA 0.892 52.843 52.037 -0.144 0.000 0.635 329 A CB -0.750 18.235 19.000 -0.024 0.000 0.810 329 A HN 0.453 nan 8.150 nan 0.000 0.445 330 F N 0.939 120.737 119.950 -0.254 0.000 2.095 330 F HA -0.165 4.367 4.527 0.007 0.000 0.298 330 F C 2.483 178.159 175.800 -0.206 0.000 1.104 330 F CA 1.522 59.305 58.000 -0.362 0.000 1.232 330 F CB -0.250 38.395 39.000 -0.592 0.000 0.987 330 F HN 0.259 nan 8.300 nan 0.000 0.475 331 A N 0.116 122.930 122.820 -0.010 0.000 1.855 331 A HA -0.115 4.210 4.320 0.007 0.000 0.213 331 A C 2.199 179.580 177.584 -0.338 0.000 1.195 331 A CA 1.456 53.482 52.037 -0.018 0.000 0.610 331 A CB -0.783 18.218 19.000 0.001 0.000 0.837 331 A HN 0.432 nan 8.150 nan 0.000 0.444 332 M N 0.017 119.275 119.600 -0.570 0.000 2.539 332 M HA -0.119 4.365 4.480 0.007 0.000 0.261 332 M C 2.209 177.928 176.300 -0.968 0.000 1.069 332 M CA 0.883 55.482 55.300 -1.169 0.000 1.081 332 M CB -0.356 31.724 32.600 -0.867 0.000 1.412 332 M HN 0.510 nan 8.290 nan 0.000 0.482 333 A N -0.482 121.950 122.820 -0.647 0.000 1.972 333 A HA -0.171 4.154 4.320 0.007 0.000 0.219 333 A C 1.404 178.600 177.584 -0.646 0.000 1.169 333 A CA 1.490 53.141 52.037 -0.643 0.000 0.635 333 A CB -0.917 17.681 19.000 -0.671 0.000 0.810 333 A HN 0.523 nan 8.150 nan 0.000 0.446 334 H N -2.201 116.613 119.070 -0.425 0.000 2.547 334 H HA 0.214 4.774 4.556 0.007 0.000 0.266 334 H C 0.868 176.168 175.328 -0.047 0.000 0.988 334 H CA 1.334 57.279 56.048 -0.172 0.000 1.147 334 H CB 0.005 29.812 29.762 0.075 0.000 1.365 334 H HN 0.802 nan 8.280 nan 0.000 0.589 335 F N -4.233 115.604 119.950 -0.189 0.000 2.764 335 F HA 0.289 4.820 4.527 0.007 0.000 0.393 335 F C -0.071 175.669 175.800 -0.100 0.000 0.854 335 F CA -0.620 57.303 58.000 -0.129 0.000 1.003 335 F CB 0.556 39.449 39.000 -0.178 0.000 1.085 335 F HN -0.148 nan 8.300 nan 0.000 0.592 336 N N 2.829 121.093 118.700 -0.728 0.000 2.672 336 N HA 0.332 5.077 4.740 0.007 0.000 0.295 336 N C -2.018 173.139 175.510 -0.588 0.000 1.924 336 N CA -2.282 50.467 53.050 -0.503 0.000 0.851 336 N CB 0.674 38.758 38.487 -0.672 0.000 1.281 336 N HN 0.014 nan 8.380 nan 0.000 0.494 337 P HA -0.140 nan 4.420 nan 0.000 0.216 337 P C 0.478 177.493 177.300 -0.475 0.000 1.153 337 P CA 1.218 64.022 63.100 -0.493 0.000 0.858 337 P CB 0.573 32.021 31.700 -0.419 0.000 0.789 338 D N -0.154 120.013 120.400 -0.388 0.000 2.123 338 D HA -0.130 4.514 4.640 0.007 0.000 0.196 338 D C 1.983 178.052 176.300 -0.386 0.000 0.992 338 D CA 0.972 54.770 54.000 -0.338 0.000 0.833 338 D CB -0.496 40.157 40.800 -0.244 0.000 0.954 338 D HN 0.158 nan 8.370 nan 0.000 0.455 339 I N 0.610 120.868 120.570 -0.519 0.000 2.617 339 I HA -0.018 4.157 4.170 0.007 0.000 0.256 339 I C 2.326 178.165 176.117 -0.463 0.000 1.167 339 I CA 0.295 61.233 61.300 -0.603 0.000 1.469 339 I CB -1.256 36.098 38.000 -1.077 0.000 1.098 339 I HN -0.134 nan 8.210 nan 0.000 0.436 340 A N 1.253 123.781 122.820 -0.487 0.000 1.902 340 A HA -0.203 4.121 4.320 0.007 0.000 0.217 340 A C 2.378 179.762 177.584 -0.333 0.000 1.181 340 A CA 1.467 53.258 52.037 -0.410 0.000 0.623 340 A CB -0.411 18.299 19.000 -0.484 0.000 0.818 340 A HN 0.316 nan 8.150 nan 0.000 0.443 341 K N -0.573 119.549 120.400 -0.462 0.000 2.057 341 K HA -0.115 4.209 4.320 0.007 0.000 0.206 341 K C 1.999 178.516 176.600 -0.138 0.000 1.050 341 K CA 1.263 57.240 56.287 -0.517 0.000 0.935 341 K CB -0.150 31.874 32.500 -0.794 0.000 0.715 341 K HN 0.406 nan 8.250 nan 0.000 0.439 342 E N 0.998 121.116 120.200 -0.136 0.000 2.085 342 E HA -0.202 4.152 4.350 0.007 0.000 0.194 342 E C 1.824 178.422 176.600 -0.002 0.000 0.994 342 E CA 0.946 57.341 56.400 -0.009 0.000 0.801 342 E CB -0.333 29.379 29.700 0.020 0.000 0.743 342 E HN 0.235 nan 8.360 nan 0.000 0.453 343 N N 1.250 119.919 118.700 -0.052 0.000 2.069 343 N HA -0.140 4.605 4.740 0.007 0.000 0.191 343 N C 1.900 177.417 175.510 0.011 0.000 1.031 343 N CA 1.027 54.057 53.050 -0.034 0.000 0.852 343 N CB -0.303 38.129 38.487 -0.092 0.000 1.018 343 N HN 0.167 nan 8.380 nan 0.000 0.423 344 I N 0.281 120.917 120.570 0.111 0.000 2.252 344 I HA -0.201 3.973 4.170 0.007 0.000 0.245 344 I C 2.366 178.635 176.117 0.253 0.000 1.102 344 I CA 0.767 62.251 61.300 0.306 0.000 1.385 344 I CB -0.195 38.132 38.000 0.544 0.000 1.064 344 I HN 0.140 nan 8.210 nan 0.000 0.414 345 R N 0.846 121.389 120.500 0.072 0.000 2.081 345 R HA -0.144 4.200 4.340 0.007 0.000 0.235 345 R C 2.494 178.565 176.300 -0.381 0.000 1.131 345 R CA 1.466 57.407 56.100 -0.265 0.000 0.960 345 R CB -0.502 29.380 30.300 -0.696 0.000 0.856 345 R HN 0.360 nan 8.270 nan 0.000 0.436 346 A N 0.778 123.480 122.820 -0.197 0.000 1.892 346 A HA -0.158 4.166 4.320 0.007 0.000 0.218 346 A C 2.373 179.968 177.584 0.019 0.000 1.188 346 A CA 1.722 53.782 52.037 0.039 0.000 0.631 346 A CB -0.644 18.427 19.000 0.118 0.000 0.822 346 A HN 0.132 nan 8.150 nan 0.000 0.447 347 V N -1.629 118.224 119.914 -0.103 0.000 2.295 347 V HA -0.214 3.911 4.120 0.007 0.000 0.246 347 V C 2.222 178.134 176.094 -0.302 0.000 1.049 347 V CA 1.982 64.114 62.300 -0.280 0.000 1.024 347 V CB -0.927 30.600 31.823 -0.493 0.000 0.648 347 V HN 0.552 nan 8.190 nan 0.000 0.447 348 F N 1.067 120.969 119.950 -0.079 0.000 2.661 348 F HA -0.050 4.482 4.527 0.008 0.000 0.298 348 F C 2.627 178.370 175.800 -0.094 0.000 1.137 348 F CA 0.935 58.871 58.000 -0.106 0.000 1.454 348 F CB -0.686 38.244 39.000 -0.116 0.000 1.103 348 F HN 0.240 nan 8.300 nan 0.000 0.577 349 S N -1.363 114.374 115.700 0.061 0.000 2.419 349 S HA -0.246 4.228 4.470 0.007 0.000 0.235 349 S C 1.156 175.683 174.600 -0.122 0.000 1.019 349 S CA 0.913 59.127 58.200 0.023 0.000 0.982 349 S CB -0.759 62.578 63.200 0.230 0.000 0.789 349 S HN 0.506 nan 8.310 nan 0.000 0.490 350 W N 2.268 123.616 121.300 0.081 0.000 2.862 350 W HA 0.483 5.147 4.660 0.008 0.000 0.426 350 W C 0.512 177.057 176.519 0.043 0.000 0.950 350 W CA -0.965 56.451 57.345 0.118 0.000 2.150 350 W CB -0.044 29.561 29.460 0.242 0.000 1.161 350 W HN 0.322 nan 8.180 nan 0.000 0.696 351 Q N 1.286 121.154 119.800 0.113 0.000 2.364 351 Q HA 0.095 4.440 4.340 0.007 0.000 0.267 351 Q C 0.478 176.538 176.000 0.100 0.000 0.999 351 Q CA -0.162 55.666 55.803 0.041 0.000 0.886 351 Q CB 0.722 29.509 28.738 0.083 0.000 1.243 351 Q HN -0.076 nan 8.270 nan 0.000 0.415 352 I N 4.203 124.846 120.570 0.121 0.000 2.598 352 I HA -0.020 4.154 4.170 0.007 0.000 0.284 352 I C 0.360 176.544 176.117 0.111 0.000 1.140 352 I CA 0.507 61.899 61.300 0.153 0.000 1.420 352 I CB 0.286 38.403 38.000 0.194 0.000 1.387 352 I HN 0.695 nan 8.210 nan 0.000 0.553 353 Q N 7.114 126.968 119.800 0.089 0.000 2.248 353 Q HA 0.513 4.857 4.340 0.007 0.000 0.263 353 Q C -2.243 173.797 176.000 0.067 0.000 1.007 353 Q CA -2.067 53.775 55.803 0.065 0.000 0.877 353 Q CB 0.921 29.678 28.738 0.032 0.000 1.315 353 Q HN 0.310 nan 8.270 nan 0.000 0.454 354 P HA 0.039 nan 4.420 nan 0.000 0.267 354 P C 0.473 177.799 177.300 0.043 0.000 1.200 354 P CA 1.060 64.192 63.100 0.054 0.000 0.772 354 P CB 0.319 32.045 31.700 0.044 0.000 0.855 355 G N 1.565 110.390 108.800 0.042 0.000 2.162 355 G HA2 -0.288 3.677 3.960 0.007 0.000 0.260 355 G HA3 -0.288 3.677 3.960 0.007 0.000 0.260 355 G C 0.179 175.102 174.900 0.039 0.000 0.976 355 G CA 0.211 45.331 45.100 0.034 0.000 0.655 355 G HN 0.698 nan 8.290 nan 0.000 0.533 356 D N 0.450 120.882 120.400 0.052 0.000 2.571 356 D HA 0.319 4.963 4.640 0.007 0.000 0.231 356 D C 1.899 178.229 176.300 0.051 0.000 1.133 356 D CA 1.121 55.159 54.000 0.062 0.000 0.862 356 D CB 0.561 41.413 40.800 0.086 0.000 1.179 356 D HN 0.454 nan 8.370 nan 0.000 0.474 357 S N 1.637 117.366 115.700 0.049 0.000 2.515 357 S HA -0.081 4.393 4.470 0.007 0.000 0.231 357 S C 1.398 176.018 174.600 0.032 0.000 0.987 357 S CA 0.627 58.848 58.200 0.035 0.000 0.936 357 S CB 0.201 63.418 63.200 0.029 0.000 0.766 357 S HN 0.367 nan 8.310 nan 0.000 0.528 358 V N 1.348 121.288 119.914 0.043 0.000 2.854 358 V HA 0.263 4.387 4.120 0.007 0.000 0.236 358 V C 1.014 177.128 176.094 0.033 0.000 1.157 358 V CA 0.618 62.939 62.300 0.035 0.000 1.187 358 V CB -0.078 31.769 31.823 0.040 0.000 0.949 358 V HN 0.609 nan 8.190 nan 0.000 0.488 359 R N 1.235 121.761 120.500 0.043 0.000 2.585 359 R HA 0.331 4.676 4.340 0.007 0.000 0.278 359 R C -2.418 173.911 176.300 0.048 0.000 1.663 359 R CA -1.424 54.693 56.100 0.028 0.000 1.592 359 R CB 0.639 30.930 30.300 -0.015 0.000 1.200 359 R HN 0.216 nan 8.270 nan 0.000 0.611 360 P HA -0.218 nan 4.420 nan 0.000 0.225 360 P C 0.708 178.048 177.300 0.067 0.000 1.148 360 P CA 1.051 64.185 63.100 0.056 0.000 0.779 360 P CB 0.394 32.119 31.700 0.042 0.000 0.780 361 Q N -0.613 119.222 119.800 0.058 0.000 2.403 361 Q HA -0.004 4.340 4.340 0.007 0.000 0.203 361 Q C 0.018 176.097 176.000 0.132 0.000 0.932 361 Q CA 0.870 56.713 55.803 0.066 0.000 0.945 361 Q CB -0.454 28.301 28.738 0.028 0.000 1.045 361 Q HN 0.182 nan 8.270 nan 0.000 0.511 362 D N 1.219 121.715 120.400 0.159 0.000 2.670 362 D HA 0.178 4.822 4.640 0.007 0.000 0.255 362 D C -0.511 175.972 176.300 0.305 0.000 1.286 362 D CA -0.279 53.899 54.000 0.297 0.000 0.830 362 D CB 0.993 41.814 40.800 0.035 0.000 1.065 362 D HN -0.031 nan 8.370 nan 0.000 0.486 363 V N 0.518 120.595 119.914 0.271 0.000 2.557 363 V HA 0.249 4.373 4.120 0.007 0.000 0.301 363 V C 1.707 177.974 176.094 0.288 0.000 1.026 363 V CA 1.405 63.839 62.300 0.223 0.000 1.137 363 V CB 0.684 32.609 31.823 0.170 0.000 0.917 363 V HN 0.610 nan 8.190 nan 0.000 0.484 364 G N 4.623 113.540 108.800 0.194 0.000 2.213 364 G HA2 -0.271 3.694 3.960 0.007 0.000 0.236 364 G HA3 -0.271 3.694 3.960 0.007 0.000 0.236 364 G C 0.081 175.002 174.900 0.035 0.000 0.991 364 G CA 0.088 45.314 45.100 0.211 0.000 0.629 364 G HN 0.843 nan 8.290 nan 0.000 0.517 365 F N 2.048 121.713 119.950 -0.476 0.000 2.563 365 F HA 0.511 5.042 4.527 0.007 0.000 0.363 365 F C 0.392 175.853 175.800 -0.565 0.000 1.123 365 F CA -0.161 57.212 58.000 -1.044 0.000 1.307 365 F CB 1.043 39.435 39.000 -1.013 0.000 1.115 365 F HN 0.075 nan 8.300 nan 0.000 0.592 366 V N 7.816 126.827 119.914 -1.506 0.000 2.357 366 V HA 0.306 4.430 4.120 0.007 0.000 0.284 366 V C -2.134 173.132 176.094 -1.380 0.000 1.018 366 V CA -2.034 59.554 62.300 -1.186 0.000 0.841 366 V CB 1.255 32.358 31.823 -1.201 0.000 0.991 366 V HN 0.683 nan 8.190 nan 0.000 0.437 367 P HA 0.001 nan 4.420 nan 0.000 0.265 367 P C 0.475 177.479 177.300 -0.492 0.000 1.187 367 P CA 0.282 63.063 63.100 -0.530 0.000 0.766 367 P CB 0.742 32.252 31.700 -0.317 0.000 0.820 368 D N 2.625 122.853 120.400 -0.285 0.000 2.144 368 D HA -0.045 4.599 4.640 0.007 0.000 0.200 368 D C 0.074 176.076 176.300 -0.496 0.000 0.978 368 D CA 1.165 55.053 54.000 -0.188 0.000 0.833 368 D CB 0.080 40.914 40.800 0.057 0.000 0.961 368 D HN 0.170 nan 8.370 nan 0.000 0.470 369 L N 0.989 121.782 121.223 -0.717 0.000 2.528 369 L HA 0.347 4.692 4.340 0.007 0.000 0.267 369 L C -1.210 174.935 176.870 -1.208 0.000 0.961 369 L CA -0.817 53.359 54.840 -1.107 0.000 0.866 369 L CB 1.402 42.816 42.059 -1.076 0.000 1.248 369 L HN 0.004 nan 8.230 nan 0.000 0.404 370 I N 2.151 122.023 120.570 -1.165 0.000 2.648 370 I HA 1.024 5.198 4.170 0.007 0.000 0.304 370 I C -0.433 175.258 176.117 -0.711 0.000 1.009 370 I CA -0.376 60.051 61.300 -1.455 0.000 1.114 370 I CB 1.984 39.312 38.000 -1.122 0.000 1.293 370 I HN 0.645 nan 8.210 nan 0.000 0.449 371 A N 3.926 126.549 122.820 -0.328 0.000 2.536 371 A HA 0.271 4.596 4.320 0.007 0.000 0.293 371 A C -0.190 177.545 177.584 0.251 0.000 1.119 371 A CA -0.693 51.358 52.037 0.023 0.000 0.654 371 A CB 0.349 19.352 19.000 0.006 0.000 1.291 371 A HN 1.018 nan 8.150 nan 0.000 0.439 372 W N 1.250 122.606 121.300 0.093 0.000 2.304 372 W HA -0.101 4.564 4.660 0.009 0.000 0.315 372 W C -0.387 176.147 176.519 0.024 0.000 1.233 372 W CA 2.085 59.470 57.345 0.067 0.000 1.261 372 W CB -0.158 29.320 29.460 0.030 0.000 1.150 372 W HN 0.611 nan 8.180 nan 0.000 0.494 373 N N 1.402 120.324 118.700 0.370 0.000 2.419 373 N HA 0.216 4.960 4.740 0.007 0.000 0.277 373 N C -0.354 175.179 175.510 0.038 0.000 1.006 373 N CA -0.207 52.956 53.050 0.189 0.000 0.923 373 N CB 1.538 40.113 38.487 0.147 0.000 1.140 373 N HN -0.100 nan 8.380 nan 0.000 0.488 374 L N 0.970 122.052 121.223 -0.234 0.000 2.472 374 L HA 0.123 4.467 4.340 0.007 0.000 0.260 374 L C 1.426 178.068 176.870 -0.380 0.000 1.209 374 L CA -0.268 54.174 54.840 -0.663 0.000 0.817 374 L CB 0.361 41.950 42.059 -0.783 0.000 1.106 374 L HN 0.562 nan 8.230 nan 0.000 0.479 375 S N 0.571 115.979 115.700 -0.485 0.000 2.600 375 S HA 0.219 4.693 4.470 0.007 0.000 0.265 375 S C -1.948 172.548 174.600 -0.173 0.000 1.325 375 S CA -1.065 57.021 58.200 -0.189 0.000 1.002 375 S CB 0.901 64.038 63.200 -0.106 0.000 0.921 375 S HN 0.395 nan 8.310 nan 0.000 0.554 376 P HA -0.063 nan 4.420 nan 0.000 0.218 376 P C 0.980 178.236 177.300 -0.073 0.000 1.148 376 P CA 1.115 64.175 63.100 -0.066 0.000 0.822 376 P CB -0.024 31.661 31.700 -0.026 0.000 0.784 377 E N -0.774 119.383 120.200 -0.071 0.000 2.209 377 E HA -0.133 4.222 4.350 0.007 0.000 0.196 377 E C 1.471 178.016 176.600 -0.092 0.000 0.993 377 E CA 1.018 57.382 56.400 -0.061 0.000 0.819 377 E CB -0.468 29.210 29.700 -0.037 0.000 0.745 377 E HN 0.266 nan 8.360 nan 0.000 0.477 378 R N -1.350 119.046 120.500 -0.172 0.000 2.468 378 R HA 0.284 4.629 4.340 0.007 0.000 0.280 378 R C 0.669 176.870 176.300 -0.166 0.000 0.963 378 R CA 0.509 56.493 56.100 -0.193 0.000 1.083 378 R CB 0.952 31.034 30.300 -0.364 0.000 1.200 378 R HN 0.255 nan 8.270 nan 0.000 0.541 379 G N -0.084 108.639 108.800 -0.129 0.000 2.238 379 G HA2 -0.226 3.739 3.960 0.007 0.000 0.217 379 G HA3 -0.226 3.739 3.960 0.007 0.000 0.217 379 G C 0.396 175.239 174.900 -0.095 0.000 0.996 379 G CA -0.326 44.718 45.100 -0.094 0.000 0.632 379 G HN 0.525 nan 8.290 nan 0.000 0.503 380 G N 0.017 108.735 108.800 -0.136 0.000 2.642 380 G HA2 0.546 4.510 3.960 0.007 0.000 0.291 380 G HA3 0.546 4.510 3.960 0.007 0.000 0.291 380 G C 0.220 175.073 174.900 -0.077 0.000 1.345 380 G CA 0.594 45.633 45.100 -0.102 0.000 1.043 380 G HN 0.557 nan 8.290 nan 0.000 0.528 381 D N -1.445 118.921 120.400 -0.055 0.000 2.501 381 D HA 0.232 4.877 4.640 0.007 0.000 0.226 381 D C 0.941 177.194 176.300 -0.078 0.000 1.198 381 D CA -0.359 53.605 54.000 -0.058 0.000 0.830 381 D CB 0.104 40.875 40.800 -0.050 0.000 1.014 381 D HN 0.519 nan 8.370 nan 0.000 0.496 382 G N -0.480 108.285 108.800 -0.059 0.000 2.403 382 G HA2 0.432 4.397 3.960 0.007 0.000 0.259 382 G HA3 0.432 4.397 3.960 0.007 0.000 0.259 382 G C 0.865 175.736 174.900 -0.048 0.000 1.244 382 G CA -0.463 44.613 45.100 -0.041 0.000 0.849 382 G HN 0.215 nan 8.290 nan 0.000 0.532 383 G N 0.778 109.491 108.800 -0.145 0.000 3.159 383 G HA2 -0.013 3.952 3.960 0.007 0.000 0.232 383 G HA3 -0.013 3.952 3.960 0.007 0.000 0.232 383 G C 1.057 176.075 174.900 0.196 0.000 1.116 383 G CA -0.053 44.990 45.100 -0.095 0.000 0.767 383 G HN 0.621 nan 8.290 nan 0.000 0.547 384 N N -0.915 117.878 118.700 0.156 0.000 2.368 384 N HA 0.037 4.782 4.740 0.007 0.000 0.178 384 N C 0.544 176.100 175.510 0.076 0.000 1.021 384 N CA -0.615 52.535 53.050 0.167 0.000 0.875 384 N CB 0.159 38.716 38.487 0.117 0.000 1.020 384 N HN 0.257 nan 8.380 nan 0.000 0.433 385 W N 3.292 124.536 121.300 -0.093 0.000 2.493 385 W HA -0.082 4.583 4.660 0.007 0.000 0.337 385 W C -0.317 176.153 176.519 -0.082 0.000 1.234 385 W CA 0.806 58.062 57.345 -0.149 0.000 1.286 385 W CB -0.289 29.069 29.460 -0.170 0.000 1.188 385 W HN 0.075 nan 8.180 nan 0.000 0.564 386 N N 3.994 122.584 118.700 -0.184 0.000 2.352 386 N HA 0.192 4.937 4.740 0.007 0.000 0.291 386 N C -0.544 175.018 175.510 0.088 0.000 1.040 386 N CA -0.284 52.788 53.050 0.037 0.000 0.864 386 N CB 1.302 39.799 38.487 0.016 0.000 1.440 386 N HN 0.418 nan 8.380 nan 0.000 0.483 387 E N 1.969 122.321 120.200 0.252 0.000 2.812 387 E HA 0.183 4.537 4.350 0.007 0.000 0.211 387 E C 0.461 177.222 176.600 0.269 0.000 0.986 387 E CA 0.006 56.620 56.400 0.357 0.000 1.119 387 E CB 0.669 30.590 29.700 0.367 0.000 1.046 387 E HN 0.484 nan 8.360 nan 0.000 0.474 388 R N 1.588 122.254 120.500 0.278 0.000 2.276 388 R HA 0.030 4.375 4.340 0.007 0.000 0.203 388 R C 0.680 177.262 176.300 0.469 0.000 1.017 388 R CA 0.739 57.007 56.100 0.279 0.000 1.010 388 R CB -0.027 30.443 30.300 0.283 0.000 0.900 388 R HN 0.272 nan 8.270 nan 0.000 0.469 389 N N -2.429 116.582 118.700 0.517 0.000 3.465 389 N HA -0.000 4.744 4.740 0.007 0.000 0.244 389 N C -0.960 174.881 175.510 0.552 0.000 1.454 389 N CA -0.540 52.856 53.050 0.576 0.000 0.865 389 N CB 1.327 40.115 38.487 0.502 0.000 1.439 389 N HN -0.184 nan 8.380 nan 0.000 0.480 390 T N -1.067 113.759 114.554 0.454 0.000 2.602 390 T HA 0.564 4.918 4.350 0.007 0.000 0.235 390 T C -1.201 173.705 174.700 0.345 0.000 0.882 390 T CA -0.171 62.048 62.100 0.199 0.000 1.123 390 T CB 0.858 69.694 68.868 -0.053 0.000 1.662 390 T HN 0.462 nan 8.240 nan 0.000 0.536 391 K N 0.601 121.268 120.400 0.445 0.000 2.469 391 K HA 0.524 4.848 4.320 0.007 0.000 0.268 391 K C -2.862 174.124 176.600 0.643 0.000 1.027 391 K CA -2.102 54.444 56.287 0.432 0.000 0.893 391 K CB 1.346 34.064 32.500 0.364 0.000 1.460 391 K HN 0.314 nan 8.250 nan 0.000 0.449 392 P HA 0.024 nan 4.420 nan 0.000 0.268 392 P C -0.646 177.007 177.300 0.589 0.000 1.205 392 P CA 0.131 63.475 63.100 0.407 0.000 0.771 392 P CB 0.540 32.229 31.700 -0.020 0.000 0.858 393 S N 2.879 118.763 115.700 0.305 0.000 2.422 393 S HA 0.358 4.832 4.470 0.007 0.000 0.308 393 S C 0.148 174.690 174.600 -0.096 0.000 1.097 393 S CA -0.534 57.831 58.200 0.275 0.000 1.099 393 S CB -0.678 62.626 63.200 0.174 0.000 0.976 393 S HN 0.351 nan 8.310 nan 0.000 0.471 394 L N 4.596 125.604 121.223 -0.358 0.000 3.202 394 L HA 0.346 4.691 4.340 0.007 0.000 0.278 394 L C 1.793 178.338 176.870 -0.543 0.000 1.268 394 L CA -0.163 54.488 54.840 -0.315 0.000 1.034 394 L CB -0.117 41.785 42.059 -0.261 0.000 1.407 394 L HN 0.816 nan 8.230 nan 0.000 0.581 395 A N 0.625 122.802 122.820 -1.071 0.000 1.865 395 A HA -0.220 4.105 4.320 0.007 0.000 0.217 395 A C 2.458 179.843 177.584 -0.333 0.000 1.191 395 A CA 2.100 53.433 52.037 -1.173 0.000 0.623 395 A CB -0.317 18.273 19.000 -0.683 0.000 0.826 395 A HN 0.451 nan 8.150 nan 0.000 0.444 396 A N -1.654 121.083 122.820 -0.139 0.000 1.902 396 A HA -0.163 4.161 4.320 0.007 0.000 0.217 396 A C 2.005 179.519 177.584 -0.116 0.000 1.181 396 A CA 1.651 53.653 52.037 -0.058 0.000 0.623 396 A CB -0.992 18.037 19.000 0.049 0.000 0.818 396 A HN 0.929 nan 8.150 nan 0.000 0.443 397 W N 0.770 121.870 121.300 -0.333 0.000 2.338 397 W HA -0.194 4.470 4.660 0.007 0.000 0.304 397 W C 2.573 179.027 176.519 -0.108 0.000 1.212 397 W CA 2.071 59.114 57.345 -0.504 0.000 1.264 397 W CB -0.416 28.960 29.460 -0.140 0.000 1.142 397 W HN 0.268 nan 8.180 nan 0.000 0.512 398 S N -0.259 115.507 115.700 0.110 0.000 2.345 398 S HA -0.198 4.276 4.470 0.007 0.000 0.220 398 S C 1.864 176.488 174.600 0.040 0.000 1.031 398 S CA 1.963 60.201 58.200 0.063 0.000 0.996 398 S CB -0.913 62.488 63.200 0.335 0.000 0.882 398 S HN 0.101 nan 8.310 nan 0.000 0.445 399 V N 1.873 121.848 119.914 0.101 0.000 2.332 399 V HA -0.202 3.922 4.120 0.007 0.000 0.248 399 V C 2.535 178.765 176.094 0.226 0.000 1.055 399 V CA 2.283 64.729 62.300 0.242 0.000 1.038 399 V CB -0.674 31.131 31.823 -0.030 0.000 0.651 399 V HN 0.529 nan 8.190 nan 0.000 0.450 400 M N 0.107 119.702 119.600 -0.009 0.000 2.159 400 M HA -0.152 4.332 4.480 0.007 0.000 0.263 400 M C 1.908 178.210 176.300 0.003 0.000 1.063 400 M CA 1.862 57.167 55.300 0.009 0.000 1.110 400 M CB -0.493 32.009 32.600 -0.163 0.000 1.374 400 M HN 0.324 nan 8.290 nan 0.000 0.411 401 E N -0.704 119.377 120.200 -0.197 0.000 2.072 401 E HA -0.113 4.242 4.350 0.007 0.000 0.191 401 E C 1.810 178.198 176.600 -0.352 0.000 0.985 401 E CA 1.569 57.730 56.400 -0.398 0.000 0.801 401 E CB -0.394 28.775 29.700 -0.885 0.000 0.750 401 E HN 0.370 nan 8.360 nan 0.000 0.452 402 V N 0.570 120.339 119.914 -0.243 0.000 2.392 402 V HA -0.255 3.869 4.120 0.007 0.000 0.249 402 V C 2.110 178.075 176.094 -0.215 0.000 1.059 402 V CA 2.036 64.132 62.300 -0.340 0.000 1.051 402 V CB -0.745 30.798 31.823 -0.468 0.000 0.658 402 V HN 0.388 nan 8.190 nan 0.000 0.455 403 Y N 1.803 122.067 120.300 -0.060 0.000 2.220 403 Y HA -0.145 4.410 4.550 0.007 0.000 0.291 403 Y C 2.494 178.348 175.900 -0.077 0.000 1.129 403 Y CA 1.627 59.739 58.100 0.020 0.000 1.161 403 Y CB -0.398 38.136 38.460 0.122 0.000 0.997 403 Y HN 0.265 nan 8.280 nan 0.000 0.522 404 N N -0.006 118.591 118.700 -0.172 0.000 2.149 404 N HA -0.176 4.568 4.740 0.007 0.000 0.188 404 N C 1.911 177.234 175.510 -0.312 0.000 1.019 404 N CA 1.722 54.623 53.050 -0.247 0.000 0.857 404 N CB -0.492 37.920 38.487 -0.124 0.000 0.997 404 N HN 0.327 nan 8.380 nan 0.000 0.426 405 V N 0.896 120.598 119.914 -0.354 0.000 2.256 405 V HA -0.153 3.972 4.120 0.007 0.000 0.240 405 V C 2.631 178.539 176.094 -0.309 0.000 1.036 405 V CA 2.198 64.283 62.300 -0.357 0.000 1.008 405 V CB -1.092 30.436 31.823 -0.492 0.000 0.648 405 V HN 0.486 nan 8.190 nan 0.000 0.453 406 T N -2.595 111.767 114.554 -0.321 0.000 2.904 406 T HA -0.185 4.169 4.350 0.007 0.000 0.267 406 T C 1.158 175.701 174.700 -0.262 0.000 1.059 406 T CA 1.044 62.987 62.100 -0.263 0.000 1.137 406 T CB -0.321 68.395 68.868 -0.252 0.000 0.879 406 T HN 0.562 nan 8.240 nan 0.000 0.467 407 Q N 0.768 120.305 119.800 -0.439 0.000 2.480 407 Q HA -0.186 4.158 4.340 0.007 0.000 0.265 407 Q C -0.778 175.106 176.000 -0.193 0.000 1.072 407 Q CA 0.819 56.249 55.803 -0.622 0.000 1.018 407 Q CB -1.870 26.638 28.738 -0.383 0.000 1.433 407 Q HN 0.747 nan 8.270 nan 0.000 0.513 408 D N 0.395 120.802 120.400 0.011 0.000 2.393 408 D HA 0.138 4.782 4.640 0.007 0.000 0.232 408 D C 0.809 177.334 176.300 0.376 0.000 1.192 408 D CA -0.003 54.095 54.000 0.163 0.000 0.882 408 D CB 0.685 41.541 40.800 0.092 0.000 1.038 408 D HN 0.063 nan 8.370 nan 0.000 0.499 409 K N 1.262 121.849 120.400 0.313 0.000 2.280 409 K HA -0.113 4.212 4.320 0.007 0.000 0.202 409 K C 1.856 178.506 176.600 0.083 0.000 1.047 409 K CA 1.406 57.810 56.287 0.196 0.000 0.942 409 K CB 0.022 32.590 32.500 0.114 0.000 0.739 409 K HN 0.574 nan 8.250 nan 0.000 0.457 410 T N -1.355 113.267 114.554 0.112 0.000 2.915 410 T HA -0.181 4.173 4.350 0.007 0.000 0.269 410 T C 1.569 176.336 174.700 0.111 0.000 1.071 410 T CA 0.368 62.514 62.100 0.077 0.000 1.132 410 T CB -0.383 68.534 68.868 0.080 0.000 0.878 410 T HN 0.500 nan 8.240 nan 0.000 0.479 411 W N 1.868 123.160 121.300 -0.012 0.000 2.381 411 W HA -0.112 4.552 4.660 0.007 0.000 0.301 411 W C 1.596 178.077 176.519 -0.063 0.000 1.205 411 W CA 0.588 57.916 57.345 -0.028 0.000 1.285 411 W CB -0.237 29.222 29.460 -0.003 0.000 1.133 411 W HN 0.145 nan 8.180 nan 0.000 0.521 412 V N 2.187 121.965 119.914 -0.228 0.000 2.343 412 V HA -0.281 3.844 4.120 0.007 0.000 0.247 412 V C 2.799 178.695 176.094 -0.330 0.000 1.051 412 V CA 2.283 64.328 62.300 -0.424 0.000 1.036 412 V CB -1.645 29.916 31.823 -0.437 0.000 0.654 412 V HN 0.294 nan 8.190 nan 0.000 0.451 413 A N -0.577 122.113 122.820 -0.216 0.000 1.972 413 A HA -0.264 4.060 4.320 0.007 0.000 0.219 413 A C 2.306 179.799 177.584 -0.151 0.000 1.169 413 A CA 1.968 53.911 52.037 -0.156 0.000 0.635 413 A CB -0.429 18.509 19.000 -0.103 0.000 0.810 413 A HN 0.636 nan 8.150 nan 0.000 0.446 414 E N -1.040 119.036 120.200 -0.207 0.000 2.072 414 E HA -0.131 4.224 4.350 0.007 0.000 0.190 414 E C 1.783 178.170 176.600 -0.354 0.000 0.982 414 E CA 1.146 57.413 56.400 -0.222 0.000 0.803 414 E CB -0.101 29.496 29.700 -0.173 0.000 0.755 414 E HN 0.483 nan 8.360 nan 0.000 0.453 415 M N -0.359 118.898 119.600 -0.571 0.000 2.435 415 M HA -0.045 4.439 4.480 0.007 0.000 0.265 415 M C 1.944 177.964 176.300 -0.466 0.000 1.104 415 M CA 0.634 55.536 55.300 -0.664 0.000 1.140 415 M CB -0.983 31.021 32.600 -0.994 0.000 1.372 415 M HN 0.170 nan 8.290 nan 0.000 0.456 416 Y N 3.407 123.446 120.300 -0.435 0.000 2.030 416 Y HA -0.223 4.331 4.550 0.007 0.000 0.272 416 Y C -0.594 175.160 175.900 -0.244 0.000 1.185 416 Y CA 2.740 60.651 58.100 -0.316 0.000 1.120 416 Y CB -1.845 36.465 38.460 -0.250 0.000 0.955 416 Y HN 0.153 nan 8.280 nan 0.000 0.495 417 P HA -0.183 nan 4.420 nan 0.000 0.217 417 P C 0.940 178.087 177.300 -0.255 0.000 1.150 417 P CA 2.173 65.136 63.100 -0.228 0.000 0.832 417 P CB -0.090 31.558 31.700 -0.086 0.000 0.787 418 K N -0.351 119.853 120.400 -0.327 0.000 2.097 418 K HA -0.030 4.294 4.320 0.007 0.000 0.205 418 K C 2.393 178.766 176.600 -0.378 0.000 1.050 418 K CA 0.983 57.037 56.287 -0.388 0.000 0.938 418 K CB -0.533 31.558 32.500 -0.682 0.000 0.718 418 K HN 0.169 nan 8.250 nan 0.000 0.442 419 L N 0.574 121.522 121.223 -0.459 0.000 2.093 419 L HA -0.161 4.183 4.340 0.007 0.000 0.208 419 L C 2.293 179.115 176.870 -0.079 0.000 1.085 419 L CA 0.734 55.433 54.840 -0.235 0.000 0.755 419 L CB -0.339 41.535 42.059 -0.309 0.000 0.904 419 L HN -0.019 nan 8.230 nan 0.000 0.435 420 V N 0.019 119.773 119.914 -0.266 0.000 2.358 420 V HA -0.265 3.859 4.120 0.007 0.000 0.246 420 V C 2.742 178.894 176.094 0.096 0.000 1.047 420 V CA 1.752 63.947 62.300 -0.175 0.000 1.035 420 V CB -0.848 30.765 31.823 -0.349 0.000 0.658 420 V HN 0.472 nan 8.190 nan 0.000 0.452 421 A N -0.996 121.876 122.820 0.086 0.000 1.933 421 A HA -0.263 4.061 4.320 0.007 0.000 0.218 421 A C 2.200 180.009 177.584 0.376 0.000 1.175 421 A CA 1.985 54.138 52.037 0.194 0.000 0.628 421 A CB -0.703 18.374 19.000 0.129 0.000 0.814 421 A HN 0.596 nan 8.150 nan 0.000 0.444 422 Y N -0.025 120.428 120.300 0.254 0.000 2.220 422 Y HA -0.177 4.377 4.550 0.007 0.000 0.291 422 Y C 2.411 178.634 175.900 0.538 0.000 1.129 422 Y CA 1.596 59.914 58.100 0.364 0.000 1.161 422 Y CB -0.832 37.886 38.460 0.430 0.000 0.997 422 Y HN 0.632 nan 8.280 nan 0.000 0.522 423 H N 0.210 119.528 119.070 0.413 0.000 2.319 423 H HA -0.154 4.406 4.556 0.007 0.000 0.299 423 H C 1.324 176.843 175.328 0.318 0.000 1.092 423 H CA 2.146 58.383 56.048 0.317 0.000 1.302 423 H CB -0.238 29.613 29.762 0.149 0.000 1.373 423 H HN 0.333 nan 8.280 nan 0.000 0.497 424 D N -0.187 120.498 120.400 0.476 0.000 2.144 424 D HA -0.158 4.486 4.640 0.007 0.000 0.199 424 D C 2.101 178.542 176.300 0.234 0.000 0.984 424 D CA 0.854 55.052 54.000 0.330 0.000 0.834 424 D CB -0.854 40.114 40.800 0.280 0.000 0.955 424 D HN 0.511 nan 8.370 nan 0.000 0.465 425 W N 0.886 122.267 121.300 0.136 0.000 2.335 425 W HA -0.208 4.456 4.660 0.007 0.000 0.311 425 W C 1.888 178.406 176.519 -0.002 0.000 1.213 425 W CA 1.332 58.714 57.345 0.061 0.000 1.274 425 W CB -0.766 28.743 29.460 0.081 0.000 1.148 425 W HN -0.022 nan 8.180 nan 0.000 0.498 426 W N 0.374 121.659 121.300 -0.024 0.000 2.335 426 W HA -0.216 4.448 4.660 0.007 0.000 0.311 426 W C 2.397 178.685 176.519 -0.385 0.000 1.213 426 W CA 1.668 58.813 57.345 -0.334 0.000 1.274 426 W CB -1.049 28.301 29.460 -0.183 0.000 1.148 426 W HN -0.186 nan 8.180 nan 0.000 0.498 427 L N -0.199 121.001 121.223 -0.039 0.000 2.191 427 L HA -0.150 4.195 4.340 0.007 0.000 0.212 427 L C 2.468 179.259 176.870 -0.131 0.000 1.103 427 L CA 1.185 55.969 54.840 -0.093 0.000 0.769 427 L CB -0.707 41.311 42.059 -0.069 0.000 0.908 427 L HN 0.048 nan 8.230 nan 0.000 0.438 428 R N -0.137 120.255 120.500 -0.180 0.000 2.075 428 R HA 0.005 4.349 4.340 0.007 0.000 0.220 428 R C 1.411 177.542 176.300 -0.282 0.000 1.118 428 R CA 1.049 57.037 56.100 -0.187 0.000 0.986 428 R CB -0.095 30.126 30.300 -0.131 0.000 0.884 428 R HN 0.324 nan 8.270 nan 0.000 0.439 429 N N -0.190 118.195 118.700 -0.525 0.000 2.254 429 N HA 0.056 4.801 4.740 0.007 0.000 0.190 429 N C 0.108 175.343 175.510 -0.459 0.000 1.107 429 N CA 0.305 53.031 53.050 -0.539 0.000 0.869 429 N CB 0.709 38.748 38.487 -0.747 0.000 0.983 429 N HN -0.103 nan 8.380 nan 0.000 0.487 430 R N 0.493 120.753 120.500 -0.399 0.000 2.734 430 R HA 0.221 4.565 4.340 0.007 0.000 0.395 430 R C -0.870 175.385 176.300 -0.074 0.000 1.096 430 R CA -0.039 55.964 56.100 -0.162 0.000 1.071 430 R CB 0.077 30.377 30.300 -0.000 0.000 1.348 430 R HN -0.004 nan 8.270 nan 0.000 0.600 431 D N -0.644 119.698 120.400 -0.097 0.000 2.846 431 D HA 0.031 4.675 4.640 0.007 0.000 0.279 431 D C 0.944 177.203 176.300 -0.068 0.000 1.222 431 D CA -0.295 53.657 54.000 -0.080 0.000 0.769 431 D CB -0.008 40.728 40.800 -0.108 0.000 1.299 431 D HN 0.187 nan 8.370 nan 0.000 0.537 432 H N 1.798 120.803 119.070 -0.107 0.000 2.362 432 H HA -0.187 4.374 4.556 0.007 0.000 0.294 432 H C 1.311 176.593 175.328 -0.077 0.000 1.113 432 H CA 2.751 58.739 56.048 -0.101 0.000 1.253 432 H CB 0.412 30.114 29.762 -0.100 0.000 1.363 432 H HN 0.279 nan 8.280 nan 0.000 0.494 433 N N -0.370 118.247 118.700 -0.138 0.000 2.280 433 N HA 0.069 4.814 4.740 0.007 0.000 0.192 433 N C 0.915 176.350 175.510 -0.125 0.000 1.109 433 N CA 0.696 53.653 53.050 -0.155 0.000 0.855 433 N CB -0.315 38.159 38.487 -0.021 0.000 0.974 433 N HN 0.496 nan 8.380 nan 0.000 0.482 434 G N 2.112 110.836 108.800 -0.127 0.000 2.366 434 G HA2 -0.351 3.613 3.960 0.007 0.000 0.299 434 G HA3 -0.351 3.613 3.960 0.007 0.000 0.299 434 G C 0.367 175.214 174.900 -0.089 0.000 1.020 434 G CA 0.593 45.628 45.100 -0.107 0.000 1.026 434 G HN 0.719 nan 8.290 nan 0.000 0.512 435 N N -0.599 118.040 118.700 -0.102 0.000 2.205 435 N HA 0.375 5.119 4.740 0.007 0.000 0.201 435 N C 1.604 177.018 175.510 -0.160 0.000 1.128 435 N CA 0.614 53.600 53.050 -0.107 0.000 0.867 435 N CB 0.170 38.600 38.487 -0.094 0.000 0.996 435 N HN 1.528 nan 8.380 nan 0.000 0.503 436 G N -0.714 107.993 108.800 -0.155 0.000 2.175 436 G HA2 -0.228 3.737 3.960 0.007 0.000 0.244 436 G HA3 -0.228 3.737 3.960 0.007 0.000 0.244 436 G C -0.563 174.202 174.900 -0.225 0.000 0.982 436 G CA 0.272 45.278 45.100 -0.157 0.000 0.641 436 G HN 0.296 nan 8.290 nan 0.000 0.527 437 V N 1.877 121.608 119.914 -0.306 0.000 2.417 437 V HA 0.563 4.688 4.120 0.007 0.000 0.291 437 V C -1.786 174.168 176.094 -0.232 0.000 1.024 437 V CA -1.724 60.368 62.300 -0.347 0.000 0.861 437 V CB 1.958 33.422 31.823 -0.598 0.000 0.985 437 V HN 0.097 nan 8.190 nan 0.000 0.436 438 P HA 0.484 nan 4.420 nan 0.000 0.276 438 P C -0.870 176.329 177.300 -0.167 0.000 1.261 438 P CA -0.517 62.482 63.100 -0.170 0.000 0.800 438 P CB 0.862 32.429 31.700 -0.221 0.000 1.066 439 E N -1.016 119.130 120.200 -0.091 0.000 2.369 439 E HA 0.455 4.809 4.350 0.007 0.000 0.270 439 E C -1.104 175.508 176.600 0.019 0.000 0.909 439 E CA -0.514 55.853 56.400 -0.055 0.000 0.775 439 E CB 0.652 30.369 29.700 0.028 0.000 1.270 439 E HN 0.268 nan 8.360 nan 0.000 0.445 440 Y N 0.283 120.680 120.300 0.161 0.000 2.304 440 Y HA 0.647 5.202 4.550 0.008 0.000 0.327 440 Y C 1.014 177.027 175.900 0.187 0.000 1.209 440 Y CA 0.462 58.679 58.100 0.196 0.000 1.299 440 Y CB 1.404 39.903 38.460 0.065 0.000 1.249 440 Y HN 0.611 nan 8.280 nan 0.000 0.519 441 G N -0.282 108.776 108.800 0.429 0.000 2.677 441 G HA2 0.748 4.713 3.960 0.007 0.000 0.283 441 G HA3 0.748 4.713 3.960 0.007 0.000 0.283 441 G C -1.835 173.283 174.900 0.364 0.000 1.221 441 G CA -0.219 45.080 45.100 0.332 0.000 0.851 441 G HN 0.822 nan 8.290 nan 0.000 0.504 442 A N -1.075 121.967 122.820 0.370 0.000 2.593 442 A HA 0.905 5.229 4.320 0.007 0.000 0.290 442 A C 0.091 177.935 177.584 0.434 0.000 1.126 442 A CA 0.418 52.697 52.037 0.405 0.000 0.695 442 A CB 1.038 20.183 19.000 0.242 0.000 1.290 442 A HN 1.871 nan 8.150 nan 0.000 0.414 443 T N -1.296 113.515 114.554 0.428 0.000 2.862 443 T HA 0.590 4.945 4.350 0.007 0.000 0.276 443 T C 0.349 175.278 174.700 0.382 0.000 0.974 443 T CA -0.587 61.667 62.100 0.257 0.000 0.966 443 T CB 0.680 69.540 68.868 -0.013 0.000 1.072 443 T HN 0.868 nan 8.240 nan 0.000 0.538 444 R N 0.710 121.311 120.500 0.169 0.000 2.389 444 R HA 0.428 4.772 4.340 0.007 0.000 0.295 444 R C -1.091 175.296 176.300 0.144 0.000 1.075 444 R CA -0.146 56.068 56.100 0.189 0.000 1.005 444 R CB 0.003 30.331 30.300 0.048 0.000 0.987 444 R HN 0.894 nan 8.270 nan 0.000 0.452 445 D N 1.658 122.148 120.400 0.150 0.000 2.623 445 D HA 0.150 4.794 4.640 0.007 0.000 0.241 445 D C -0.026 176.265 176.300 -0.014 0.000 1.241 445 D CA -0.687 53.294 54.000 -0.031 0.000 0.788 445 D CB 1.644 42.251 40.800 -0.322 0.000 1.413 445 D HN 0.465 nan 8.370 nan 0.000 0.429 446 K N 0.646 121.031 120.400 -0.025 0.000 2.152 446 K HA -0.108 4.217 4.320 0.007 0.000 0.206 446 K C 1.496 178.096 176.600 -0.000 0.000 1.048 446 K CA 1.387 57.676 56.287 0.003 0.000 0.933 446 K CB -0.085 32.419 32.500 0.007 0.000 0.721 446 K HN 0.371 nan 8.250 nan 0.000 0.447 447 A N 0.125 122.907 122.820 -0.063 0.000 2.169 447 A HA -0.060 4.264 4.320 0.007 0.000 0.212 447 A C 1.239 178.879 177.584 0.094 0.000 1.153 447 A CA 0.792 52.815 52.037 -0.022 0.000 0.756 447 A CB -0.382 18.586 19.000 -0.053 0.000 0.813 447 A HN 0.367 nan 8.150 nan 0.000 0.471 448 H N -1.155 117.933 119.070 0.031 0.000 2.681 448 H HA 0.119 4.679 4.556 0.007 0.000 0.268 448 H C -0.067 175.283 175.328 0.038 0.000 0.967 448 H CA 0.227 56.275 56.048 0.000 0.000 1.233 448 H CB 0.305 30.106 29.762 0.064 0.000 1.445 448 H HN 0.745 nan 8.280 nan 0.000 0.494 449 N N -0.345 118.478 118.700 0.205 0.000 2.825 449 N HA 0.105 4.849 4.740 0.007 0.000 0.253 449 N C -0.632 174.940 175.510 0.104 0.000 1.426 449 N CA -0.689 52.464 53.050 0.171 0.000 0.851 449 N CB 1.107 39.752 38.487 0.262 0.000 1.470 449 N HN -0.032 nan 8.380 nan 0.000 0.517 450 T N -2.682 111.922 114.554 0.083 0.000 2.726 450 T HA 0.201 4.556 4.350 0.007 0.000 0.294 450 T C 0.698 175.431 174.700 0.055 0.000 1.013 450 T CA -0.372 61.760 62.100 0.053 0.000 0.996 450 T CB 0.508 69.401 68.868 0.041 0.000 1.016 450 T HN 0.553 nan 8.240 nan 0.000 0.529 451 E N 0.381 120.605 120.200 0.039 0.000 2.268 451 E HA -0.104 4.251 4.350 0.007 0.000 0.195 451 E C 2.281 178.902 176.600 0.035 0.000 0.995 451 E CA 1.273 57.694 56.400 0.035 0.000 0.836 451 E CB -0.152 29.564 29.700 0.025 0.000 0.763 451 E HN 0.817 nan 8.360 nan 0.000 0.491 452 S N -0.589 115.133 115.700 0.037 0.000 2.496 452 S HA 0.126 4.600 4.470 0.007 0.000 0.224 452 S C 1.564 176.190 174.600 0.043 0.000 0.996 452 S CA 0.428 58.649 58.200 0.035 0.000 0.927 452 S CB 0.506 63.726 63.200 0.033 0.000 0.774 452 S HN 0.331 nan 8.310 nan 0.000 0.524 453 G N 0.781 109.617 108.800 0.059 0.000 2.135 453 G HA2 -0.157 3.807 3.960 0.007 0.000 0.183 453 G HA3 -0.157 3.807 3.960 0.007 0.000 0.183 453 G C -0.490 174.474 174.900 0.106 0.000 1.004 453 G CA -0.349 44.795 45.100 0.074 0.000 0.677 453 G HN 0.548 nan 8.290 nan 0.000 0.512 454 E N 0.432 120.697 120.200 0.109 0.000 2.167 454 E HA 0.378 4.732 4.350 0.007 0.000 0.284 454 E C 0.779 177.479 176.600 0.167 0.000 1.016 454 E CA -0.654 55.824 56.400 0.130 0.000 0.817 454 E CB 1.136 30.892 29.700 0.093 0.000 1.080 454 E HN 0.428 nan 8.360 nan 0.000 0.397 455 M N 4.860 124.600 119.600 0.234 0.000 2.327 455 M HA 0.025 4.509 4.480 0.007 0.000 0.353 455 M C -0.928 175.470 176.300 0.162 0.000 1.539 455 M CA 0.264 55.695 55.300 0.218 0.000 1.039 455 M CB 0.175 32.902 32.600 0.212 0.000 1.967 455 M HN 0.450 nan 8.290 nan 0.000 0.459 456 L N 6.993 128.263 121.223 0.078 0.000 2.395 456 L HA 0.570 4.914 4.340 0.007 0.000 0.269 456 L C -0.570 176.342 176.870 0.069 0.000 1.133 456 L CA -0.473 54.371 54.840 0.006 0.000 0.812 456 L CB 0.615 42.666 42.059 -0.013 0.000 1.125 456 L HN 0.772 nan 8.230 nan 0.000 0.452 457 F N -0.846 119.058 119.950 -0.076 0.000 2.708 457 F HA 0.533 5.064 4.527 0.007 0.000 0.309 457 F C -1.104 174.653 175.800 -0.072 0.000 1.120 457 F CA -0.800 57.137 58.000 -0.106 0.000 0.978 457 F CB 1.255 40.191 39.000 -0.106 0.000 1.283 457 F HN 0.176 nan 8.300 nan 0.000 0.439 458 T N 2.888 117.503 114.554 0.102 0.000 2.812 458 T HA 0.629 4.983 4.350 0.007 0.000 0.282 458 T C -0.880 173.867 174.700 0.079 0.000 0.990 458 T CA -0.666 61.443 62.100 0.015 0.000 0.960 458 T CB 1.695 70.546 68.868 -0.029 0.000 0.948 458 T HN 0.609 nan 8.240 nan 0.000 0.438 459 V N 3.693 123.654 119.914 0.078 0.000 2.439 459 V HA 0.596 4.720 4.120 0.007 0.000 0.282 459 V C 0.092 176.206 176.094 0.033 0.000 1.039 459 V CA -0.708 61.615 62.300 0.038 0.000 0.913 459 V CB 1.388 33.276 31.823 0.109 0.000 0.983 459 V HN 0.627 nan 8.190 nan 0.000 0.460 460 K N 3.879 124.299 120.400 0.033 0.000 2.345 460 K HA 0.706 5.031 4.320 0.007 0.000 0.255 460 K C -1.038 175.629 176.600 0.112 0.000 0.934 460 K CA -0.744 55.578 56.287 0.059 0.000 0.801 460 K CB 1.505 34.026 32.500 0.036 0.000 1.137 460 K HN 0.538 nan 8.250 nan 0.000 0.424 461 K N 2.898 123.351 120.400 0.088 0.000 2.652 461 K HA 0.557 4.882 4.320 0.007 0.000 0.249 461 K C 0.026 176.657 176.600 0.052 0.000 0.986 461 K CA 0.394 56.732 56.287 0.086 0.000 0.867 461 K CB 0.888 33.444 32.500 0.093 0.000 1.201 461 K HN 0.683 nan 8.250 nan 0.000 0.450 462 G N 3.515 112.341 108.800 0.043 0.000 2.565 462 G HA2 -0.288 3.676 3.960 0.007 0.000 0.295 462 G HA3 -0.288 3.676 3.960 0.007 0.000 0.295 462 G C -0.153 174.762 174.900 0.025 0.000 1.165 462 G CA 0.414 45.531 45.100 0.029 0.000 0.977 462 G HN 0.626 nan 8.290 nan 0.000 0.546 463 D N 1.806 122.219 120.400 0.020 0.000 2.559 463 D HA 0.238 4.882 4.640 0.007 0.000 0.234 463 D C 0.191 176.500 176.300 0.016 0.000 1.226 463 D CA 0.182 54.192 54.000 0.016 0.000 0.830 463 D CB 0.392 41.199 40.800 0.011 0.000 1.028 463 D HN 0.191 nan 8.370 nan 0.000 0.492 464 K N 1.203 121.616 120.400 0.022 0.000 2.274 464 K HA 0.382 4.706 4.320 0.007 0.000 0.262 464 K C 0.124 176.738 176.600 0.024 0.000 0.961 464 K CA -0.343 55.957 56.287 0.022 0.000 0.833 464 K CB 2.330 34.846 32.500 0.027 0.000 1.102 464 K HN 0.025 nan 8.250 nan 0.000 0.436 465 E N 1.789 121.997 120.200 0.014 0.000 2.158 465 E HA 0.188 4.542 4.350 0.007 0.000 0.271 465 E C -0.908 175.692 176.600 -0.000 0.000 0.911 465 E CA -0.464 55.940 56.400 0.007 0.000 0.767 465 E CB 2.071 31.769 29.700 -0.003 0.000 1.120 465 E HN 0.400 nan 8.360 nan 0.000 0.405 466 E N 2.697 122.897 120.200 0.001 0.000 2.255 466 E HA 0.115 4.470 4.350 0.007 0.000 0.245 466 E C -1.066 175.491 176.600 -0.071 0.000 0.909 466 E CA -0.479 55.911 56.400 -0.016 0.000 0.747 466 E CB 0.744 30.455 29.700 0.019 0.000 1.215 466 E HN 0.472 nan 8.360 nan 0.000 0.424 467 T N 1.503 115.992 114.554 -0.107 0.000 2.761 467 T HA 0.348 4.702 4.350 0.007 0.000 0.296 467 T C 0.139 174.662 174.700 -0.295 0.000 0.934 467 T CA -0.455 61.530 62.100 -0.192 0.000 1.091 467 T CB 1.331 70.121 68.868 -0.130 0.000 0.896 467 T HN 0.427 nan 8.240 nan 0.000 0.515 468 Q N 1.812 121.252 119.800 -0.599 0.000 3.146 468 Q HA 0.774 5.119 4.340 0.007 0.000 0.318 468 Q C -0.822 174.744 176.000 -0.724 0.000 0.992 468 Q CA -1.295 54.116 55.803 -0.654 0.000 0.809 468 Q CB 2.161 30.460 28.738 -0.731 0.000 1.490 468 Q HN 0.915 nan 8.270 nan 0.000 0.493 469 S N -1.660 113.786 115.700 -0.424 0.000 2.588 469 S HA 0.830 5.304 4.470 0.007 0.000 0.269 469 S C -0.622 174.061 174.600 0.138 0.000 1.157 469 S CA -0.340 57.796 58.200 -0.108 0.000 0.824 469 S CB 1.757 64.930 63.200 -0.045 0.000 1.126 469 S HN 1.284 nan 8.310 nan 0.000 0.464 470 G N 0.217 109.160 108.800 0.238 0.000 3.338 470 G HA2 0.082 4.046 3.960 0.007 0.000 0.686 470 G HA3 0.082 4.046 3.960 0.007 0.000 0.686 470 G C -0.137 174.965 174.900 0.336 0.000 1.053 470 G CA -0.274 44.973 45.100 0.245 0.000 0.852 470 G HN 1.490 nan 8.290 nan 0.000 0.545 471 L N 1.847 123.225 121.223 0.258 0.000 2.261 471 L HA -0.058 4.286 4.340 0.007 0.000 0.216 471 L C 2.403 179.435 176.870 0.269 0.000 1.114 471 L CA 2.532 57.534 54.840 0.270 0.000 0.777 471 L CB -0.263 41.916 42.059 0.200 0.000 0.910 471 L HN 0.695 nan 8.230 nan 0.000 0.440 472 N N -0.075 118.751 118.700 0.209 0.000 2.051 472 N HA -0.169 4.575 4.740 0.007 0.000 0.192 472 N C 1.475 177.083 175.510 0.163 0.000 1.049 472 N CA 1.692 54.834 53.050 0.154 0.000 0.845 472 N CB -0.678 37.883 38.487 0.124 0.000 1.031 472 N HN 0.427 nan 8.380 nan 0.000 0.425 473 N N 0.908 119.748 118.700 0.234 0.000 2.205 473 N HA -0.191 4.553 4.740 0.007 0.000 0.186 473 N C 1.770 177.432 175.510 0.254 0.000 1.015 473 N CA 0.674 53.891 53.050 0.279 0.000 0.862 473 N CB -0.561 38.149 38.487 0.371 0.000 0.986 473 N HN 0.372 nan 8.380 nan 0.000 0.429 474 Y N 1.822 122.143 120.300 0.035 0.000 2.081 474 Y HA -0.218 4.337 4.550 0.007 0.000 0.280 474 Y C 2.380 178.124 175.900 -0.260 0.000 1.163 474 Y CA 1.882 59.657 58.100 -0.542 0.000 1.135 474 Y CB -0.739 37.431 38.460 -0.483 0.000 0.970 474 Y HN 0.067 nan 8.280 nan 0.000 0.498 475 A N 0.658 123.265 122.820 -0.355 0.000 1.930 475 A HA -0.135 4.189 4.320 0.007 0.000 0.217 475 A C 2.396 179.859 177.584 -0.202 0.000 1.175 475 A CA 2.385 54.201 52.037 -0.369 0.000 0.627 475 A CB -1.337 17.588 19.000 -0.125 0.000 0.815 475 A HN 0.547 nan 8.150 nan 0.000 0.443 476 R N -0.628 119.826 120.500 -0.078 0.000 2.241 476 R HA 0.098 4.443 4.340 0.007 0.000 0.224 476 R C 1.906 178.199 176.300 -0.013 0.000 1.101 476 R CA 1.785 57.875 56.100 -0.017 0.000 0.995 476 R CB -1.498 28.826 30.300 0.040 0.000 0.870 476 R HN 0.427 nan 8.270 nan 0.000 0.463 477 V N -0.832 119.051 119.914 -0.053 0.000 2.922 477 V HA -0.044 4.081 4.120 0.007 0.000 0.242 477 V C 2.416 178.532 176.094 0.036 0.000 1.094 477 V CA 0.910 63.222 62.300 0.020 0.000 1.106 477 V CB 0.802 32.652 31.823 0.045 0.000 0.799 477 V HN 0.330 nan 8.190 nan 0.000 0.474 478 V N 0.688 120.500 119.914 -0.171 0.000 2.392 478 V HA -0.300 3.824 4.120 0.007 0.000 0.249 478 V C 2.379 178.445 176.094 -0.046 0.000 1.059 478 V CA 2.465 64.691 62.300 -0.123 0.000 1.051 478 V CB -0.498 31.079 31.823 -0.411 0.000 0.658 478 V HN 0.708 nan 8.190 nan 0.000 0.455 479 E N 0.741 120.898 120.200 -0.072 0.000 2.001 479 E HA -0.264 4.091 4.350 0.007 0.000 0.195 479 E C 2.294 178.865 176.600 -0.049 0.000 1.002 479 E CA 1.593 57.961 56.400 -0.053 0.000 0.819 479 E CB -0.153 29.520 29.700 -0.044 0.000 0.769 479 E HN 0.566 nan 8.360 nan 0.000 0.454 480 K N -0.512 119.869 120.400 -0.031 0.000 2.127 480 K HA -0.149 4.175 4.320 0.007 0.000 0.208 480 K C 1.489 178.016 176.600 -0.122 0.000 1.047 480 K CA 0.904 57.164 56.287 -0.044 0.000 0.927 480 K CB -0.520 31.977 32.500 -0.005 0.000 0.716 480 K HN 0.489 nan 8.250 nan 0.000 0.450 481 G N 2.073 110.764 108.800 -0.183 0.000 2.296 481 G HA2 -0.315 3.649 3.960 0.007 0.000 0.282 481 G HA3 -0.315 3.649 3.960 0.007 0.000 0.282 481 G C -0.095 174.408 174.900 -0.662 0.000 1.014 481 G CA 0.623 45.349 45.100 -0.623 0.000 0.812 481 G HN 0.498 nan 8.290 nan 0.000 0.508 482 Q N -0.542 119.075 119.800 -0.305 0.000 2.938 482 Q HA 0.436 4.780 4.340 0.007 0.000 0.343 482 Q C -0.067 175.907 176.000 -0.042 0.000 1.185 482 Q CA -0.127 55.585 55.803 -0.151 0.000 0.939 482 Q CB -0.149 28.567 28.738 -0.036 0.000 1.480 482 Q HN 0.846 nan 8.270 nan 0.000 0.442 483 Y N -3.888 116.416 120.300 0.007 0.000 2.588 483 Y HA 0.405 4.959 4.550 0.007 0.000 0.343 483 Y C -0.039 175.866 175.900 0.009 0.000 1.065 483 Y CA -1.748 56.360 58.100 0.014 0.000 1.038 483 Y CB 0.812 39.287 38.460 0.024 0.000 1.297 483 Y HN -0.179 nan 8.280 nan 0.000 0.467 484 D N 0.870 121.428 120.400 0.264 0.000 2.271 484 D HA 0.088 4.732 4.640 0.007 0.000 0.206 484 D C -0.105 176.337 176.300 0.236 0.000 0.967 484 D CA 1.469 55.572 54.000 0.172 0.000 0.867 484 D CB 0.398 41.256 40.800 0.097 0.000 0.960 484 D HN 0.575 nan 8.370 nan 0.000 0.509 485 S N -0.540 115.333 115.700 0.288 0.000 2.567 485 S HA 0.507 4.981 4.470 0.007 0.000 0.270 485 S C -1.563 172.954 174.600 -0.137 0.000 1.152 485 S CA -1.036 57.241 58.200 0.128 0.000 0.835 485 S CB 2.050 65.283 63.200 0.056 0.000 1.115 485 S HN -0.024 nan 8.310 nan 0.000 0.459 486 L N 1.415 122.487 121.223 -0.251 0.000 2.415 486 L HA 0.522 4.866 4.340 0.007 0.000 0.268 486 L C -0.898 175.871 176.870 -0.167 0.000 0.984 486 L CA -0.161 54.466 54.840 -0.355 0.000 0.853 486 L CB 1.308 43.003 42.059 -0.607 0.000 1.215 486 L HN 0.842 nan 8.230 nan 0.000 0.419 487 E N 6.140 126.285 120.200 -0.092 0.000 2.105 487 E HA 0.331 4.686 4.350 0.007 0.000 0.285 487 E C -0.925 175.619 176.600 -0.094 0.000 1.055 487 E CA -0.280 56.067 56.400 -0.088 0.000 0.843 487 E CB 1.128 30.793 29.700 -0.058 0.000 1.067 487 E HN 0.405 nan 8.360 nan 0.000 0.398 488 I N 5.344 125.787 120.570 -0.211 0.000 2.405 488 I HA 0.182 4.356 4.170 0.007 0.000 0.280 488 I C -1.905 173.976 176.117 -0.393 0.000 1.027 488 I CA -2.202 58.910 61.300 -0.315 0.000 1.161 488 I CB 1.325 38.981 38.000 -0.573 0.000 1.300 488 I HN 0.248 nan 8.210 nan 0.000 0.463 489 P HA -0.266 nan 4.420 nan 0.000 0.216 489 P C 1.559 178.569 177.300 -0.482 0.000 1.154 489 P CA 1.586 64.538 63.100 -0.246 0.000 0.865 489 P CB 0.333 32.013 31.700 -0.035 0.000 0.789 490 A N -0.656 121.720 122.820 -0.740 0.000 1.972 490 A HA -0.252 4.072 4.320 0.007 0.000 0.219 490 A C 2.332 179.405 177.584 -0.852 0.000 1.169 490 A CA 1.671 53.010 52.037 -1.163 0.000 0.635 490 A CB -1.278 17.043 19.000 -1.131 0.000 0.810 490 A HN 0.211 nan 8.150 nan 0.000 0.446 491 Q N -0.489 118.661 119.800 -1.084 0.000 2.245 491 Q HA -0.046 4.298 4.340 0.007 0.000 0.201 491 Q C 1.803 177.461 176.000 -0.570 0.000 0.955 491 Q CA 1.194 56.357 55.803 -1.065 0.000 0.870 491 Q CB -0.091 27.918 28.738 -1.215 0.000 0.945 491 Q HN 0.413 nan 8.270 nan 0.000 0.461 492 V N 0.730 120.304 119.914 -0.567 0.000 2.295 492 V HA -0.266 3.859 4.120 0.007 0.000 0.246 492 V C 2.296 177.870 176.094 -0.867 0.000 1.049 492 V CA 1.836 63.769 62.300 -0.611 0.000 1.024 492 V CB -0.950 30.495 31.823 -0.630 0.000 0.648 492 V HN 0.506 nan 8.190 nan 0.000 0.447 493 A N -0.111 122.272 122.820 -0.729 0.000 1.972 493 A HA -0.087 4.237 4.320 0.007 0.000 0.219 493 A C 2.394 179.925 177.584 -0.089 0.000 1.169 493 A CA 1.935 53.728 52.037 -0.406 0.000 0.635 493 A CB -0.667 18.337 19.000 0.008 0.000 0.810 493 A HN 0.572 nan 8.150 nan 0.000 0.446 494 A N 0.360 123.106 122.820 -0.123 0.000 1.933 494 A HA -0.079 4.245 4.320 0.007 0.000 0.218 494 A C 2.498 180.017 177.584 -0.108 0.000 1.175 494 A CA 2.202 54.255 52.037 0.026 0.000 0.628 494 A CB -0.885 18.195 19.000 0.134 0.000 0.814 494 A HN 0.990 nan 8.150 nan 0.000 0.444 495 S N -1.684 113.894 115.700 -0.203 0.000 2.402 495 S HA -0.168 4.307 4.470 0.007 0.000 0.229 495 S C 1.751 176.275 174.600 -0.128 0.000 1.021 495 S CA 1.070 59.125 58.200 -0.242 0.000 0.974 495 S CB -0.610 62.522 63.200 -0.113 0.000 0.800 495 S HN 0.645 nan 8.310 nan 0.000 0.484 496 W N 2.161 123.377 121.300 -0.141 0.000 2.381 496 W HA 0.188 4.852 4.660 0.007 0.000 0.301 496 W C 2.530 178.981 176.519 -0.115 0.000 1.205 496 W CA 0.515 57.806 57.345 -0.090 0.000 1.285 496 W CB -1.134 28.348 29.460 0.036 0.000 1.133 496 W HN 0.540 nan 8.180 nan 0.000 0.521 497 E N 0.483 120.786 120.200 0.171 0.000 2.204 497 E HA -0.173 4.182 4.350 0.007 0.000 0.194 497 E C 2.221 178.663 176.600 -0.264 0.000 0.989 497 E CA 1.678 58.159 56.400 0.135 0.000 0.824 497 E CB -0.014 29.881 29.700 0.324 0.000 0.756 497 E HN 0.131 nan 8.360 nan 0.000 0.477 498 S N -1.204 114.093 115.700 -0.672 0.000 2.461 498 S HA 0.054 4.529 4.470 0.007 0.000 0.228 498 S C 1.755 175.812 174.600 -0.905 0.000 1.005 498 S CA 0.822 58.174 58.200 -1.414 0.000 0.942 498 S CB 0.110 62.436 63.200 -1.457 0.000 0.776 498 S HN 0.482 nan 8.310 nan 0.000 0.514 499 G N 1.417 109.845 108.800 -0.620 0.000 2.179 499 G HA2 -0.261 3.703 3.960 0.007 0.000 0.260 499 G HA3 -0.261 3.703 3.960 0.007 0.000 0.260 499 G C 0.242 174.600 174.900 -0.902 0.000 0.977 499 G CA 0.164 44.877 45.100 -0.646 0.000 0.641 499 G HN 0.614 nan 8.290 nan 0.000 0.533 500 R N 0.630 120.581 120.500 -0.915 0.000 2.585 500 R HA 0.321 4.666 4.340 0.007 0.000 0.278 500 R C 0.359 176.303 176.300 -0.593 0.000 1.663 500 R CA 0.087 55.367 56.100 -1.367 0.000 1.592 500 R CB 0.476 30.195 30.300 -0.970 0.000 1.200 500 R HN 0.332 nan 8.270 nan 0.000 0.611 501 D N -0.755 119.391 120.400 -0.424 0.000 2.392 501 D HA -0.148 4.496 4.640 0.007 0.000 0.228 501 D C 0.483 176.450 176.300 -0.555 0.000 1.003 501 D CA 0.706 54.542 54.000 -0.273 0.000 0.917 501 D CB 0.304 41.082 40.800 -0.038 0.000 0.890 501 D HN 0.244 nan 8.370 nan 0.000 0.532 502 D N -0.881 119.371 120.400 -0.245 0.000 2.556 502 D HA 0.282 4.926 4.640 0.007 0.000 0.237 502 D C -0.171 176.250 176.300 0.203 0.000 1.296 502 D CA -0.265 53.571 54.000 -0.273 0.000 0.807 502 D CB 0.437 41.279 40.800 0.070 0.000 1.084 502 D HN 0.227 nan 8.370 nan 0.000 0.510 503 A N 0.321 123.365 122.820 0.373 0.000 2.462 503 A HA 0.523 4.847 4.320 0.007 0.000 0.243 503 A C 1.680 179.574 177.584 0.518 0.000 1.076 503 A CA 0.483 52.802 52.037 0.470 0.000 0.773 503 A CB 0.571 19.804 19.000 0.388 0.000 1.010 503 A HN 0.232 nan 8.150 nan 0.000 0.493 504 A N 2.355 125.417 122.820 0.403 0.000 1.883 504 A HA -0.082 4.242 4.320 0.007 0.000 0.217 504 A C 2.108 179.889 177.584 0.328 0.000 1.186 504 A CA 1.937 54.253 52.037 0.465 0.000 0.624 504 A CB -1.051 18.218 19.000 0.450 0.000 0.822 504 A HN 1.555 nan 8.150 nan 0.000 0.444 505 V N -1.229 118.723 119.914 0.062 0.000 2.688 505 V HA -0.182 3.942 4.120 0.007 0.000 0.256 505 V C 1.371 177.312 176.094 -0.254 0.000 1.084 505 V CA 1.717 63.897 62.300 -0.200 0.000 1.103 505 V CB -0.726 30.852 31.823 -0.409 0.000 0.688 505 V HN 0.498 nan 8.190 nan 0.000 0.480 506 F N 0.645 120.728 119.950 0.221 0.000 2.660 506 F HA 0.526 5.057 4.527 0.007 0.000 0.297 506 F C 1.670 177.443 175.800 -0.045 0.000 1.132 506 F CA 0.150 58.249 58.000 0.165 0.000 1.372 506 F CB -0.110 39.078 39.000 0.313 0.000 1.003 506 F HN 0.233 nan 8.300 nan 0.000 0.524 507 G N -0.423 108.473 108.800 0.159 0.000 2.176 507 G HA2 -0.303 3.662 3.960 0.007 0.000 0.253 507 G HA3 -0.303 3.662 3.960 0.007 0.000 0.253 507 G C 0.083 174.977 174.900 -0.011 0.000 0.979 507 G CA -0.524 44.638 45.100 0.103 0.000 0.641 507 G HN 0.182 nan 8.290 nan 0.000 0.530 508 F N 0.486 120.614 119.950 0.297 0.000 2.424 508 F HA 0.773 5.305 4.527 0.008 0.000 0.356 508 F C 0.673 176.493 175.800 0.034 0.000 1.110 508 F CA -0.626 57.467 58.000 0.155 0.000 1.161 508 F CB 1.223 40.324 39.000 0.168 0.000 1.115 508 F HN 0.163 nan 8.300 nan 0.000 0.507 509 I N 2.547 123.120 120.570 0.006 0.000 2.787 509 I HA 0.277 4.451 4.170 0.007 0.000 0.294 509 I C -1.474 174.544 176.117 -0.165 0.000 1.365 509 I CA -0.742 60.411 61.300 -0.245 0.000 1.029 509 I CB 1.638 39.103 38.000 -0.892 0.000 1.313 509 I HN 0.345 nan 8.210 nan 0.000 0.431 510 D N 5.718 126.042 120.400 -0.127 0.000 2.344 510 D HA 0.205 4.849 4.640 0.007 0.000 0.244 510 D C 0.720 176.959 176.300 -0.102 0.000 1.134 510 D CA -0.235 53.719 54.000 -0.076 0.000 0.930 510 D CB 1.325 42.099 40.800 -0.043 0.000 1.175 510 D HN 0.449 nan 8.370 nan 0.000 0.437 511 K N 0.598 120.962 120.400 -0.061 0.000 2.063 511 K HA -0.202 4.122 4.320 0.007 0.000 0.208 511 K C 1.534 178.105 176.600 -0.047 0.000 1.048 511 K CA 1.403 57.658 56.287 -0.053 0.000 0.928 511 K CB 0.082 32.566 32.500 -0.027 0.000 0.713 511 K HN 0.297 nan 8.250 nan 0.000 0.442 512 E N 0.790 120.969 120.200 -0.034 0.000 2.077 512 E HA -0.174 4.180 4.350 0.007 0.000 0.193 512 E C 2.001 178.587 176.600 -0.022 0.000 0.989 512 E CA 1.237 57.625 56.400 -0.019 0.000 0.800 512 E CB -0.076 29.618 29.700 -0.009 0.000 0.746 512 E HN 0.320 nan 8.360 nan 0.000 0.452 513 Q N -0.198 119.572 119.800 -0.049 0.000 2.079 513 Q HA -0.118 4.226 4.340 0.007 0.000 0.200 513 Q C 2.145 178.096 176.000 -0.081 0.000 0.974 513 Q CA 0.919 56.687 55.803 -0.059 0.000 0.840 513 Q CB -0.219 28.453 28.738 -0.110 0.000 0.898 513 Q HN 0.187 nan 8.270 nan 0.000 0.430 514 L N 1.686 122.812 121.223 -0.161 0.000 2.017 514 L HA -0.200 4.144 4.340 0.007 0.000 0.208 514 L C 1.532 178.416 176.870 0.024 0.000 1.073 514 L CA 1.945 56.689 54.840 -0.160 0.000 0.745 514 L CB -0.619 41.312 42.059 -0.213 0.000 0.894 514 L HN 0.127 nan 8.230 nan 0.000 0.432 515 D N -0.325 120.079 120.400 0.007 0.000 2.116 515 D HA -0.262 4.382 4.640 0.007 0.000 0.193 515 D C 2.165 178.496 176.300 0.051 0.000 0.998 515 D CA 1.515 55.532 54.000 0.029 0.000 0.836 515 D CB -0.128 40.678 40.800 0.010 0.000 0.951 515 D HN 0.348 nan 8.370 nan 0.000 0.449 516 K N -0.564 119.868 120.400 0.053 0.000 2.103 516 K HA -0.202 4.123 4.320 0.007 0.000 0.207 516 K C 2.248 178.906 176.600 0.098 0.000 1.048 516 K CA 0.832 57.156 56.287 0.061 0.000 0.930 516 K CB -0.211 32.325 32.500 0.060 0.000 0.716 516 K HN 0.121 nan 8.250 nan 0.000 0.444 517 Y N 0.701 121.013 120.300 0.021 0.000 2.181 517 Y HA -0.234 4.320 4.550 0.007 0.000 0.288 517 Y C 1.763 177.711 175.900 0.080 0.000 1.146 517 Y CA 1.427 59.575 58.100 0.081 0.000 1.164 517 Y CB -0.208 38.327 38.460 0.124 0.000 0.982 517 Y HN -0.175 nan 8.280 nan 0.000 0.515 518 V N 0.339 120.316 119.914 0.105 0.000 2.358 518 V HA -0.287 3.838 4.120 0.007 0.000 0.246 518 V C 2.652 178.718 176.094 -0.047 0.000 1.047 518 V CA 1.717 64.027 62.300 0.017 0.000 1.035 518 V CB -1.552 30.317 31.823 0.077 0.000 0.658 518 V HN 0.551 nan 8.190 nan 0.000 0.452 519 A N 0.198 123.007 122.820 -0.019 0.000 2.019 519 A HA -0.174 4.150 4.320 0.007 0.000 0.219 519 A C 1.897 179.450 177.584 -0.052 0.000 1.164 519 A CA 1.624 53.645 52.037 -0.025 0.000 0.644 519 A CB -0.530 18.467 19.000 -0.006 0.000 0.805 519 A HN 0.584 nan 8.150 nan 0.000 0.449 520 N N -0.916 117.733 118.700 -0.085 0.000 2.461 520 N HA 0.124 4.868 4.740 0.007 0.000 0.188 520 N C 1.086 176.509 175.510 -0.146 0.000 1.134 520 N CA 1.083 54.072 53.050 -0.102 0.000 0.878 520 N CB 0.540 38.969 38.487 -0.097 0.000 0.972 520 N HN 0.651 nan 8.380 nan 0.000 0.456 521 G N -0.922 107.779 108.800 -0.166 0.000 2.192 521 G HA2 -0.160 3.804 3.960 0.007 0.000 0.193 521 G HA3 -0.160 3.804 3.960 0.007 0.000 0.193 521 G C 0.413 175.185 174.900 -0.213 0.000 0.999 521 G CA -0.176 44.831 45.100 -0.154 0.000 0.659 521 G HN 0.565 nan 8.290 nan 0.000 0.503 522 G N -0.218 108.335 108.800 -0.412 0.000 2.502 522 G HA2 0.605 4.569 3.960 0.007 0.000 0.305 522 G HA3 0.605 4.569 3.960 0.007 0.000 0.305 522 G C -0.224 174.642 174.900 -0.057 0.000 1.190 522 G CA -0.551 44.279 45.100 -0.450 0.000 0.933 522 G HN 0.359 nan 8.290 nan 0.000 0.503 523 K N -0.150 120.359 120.400 0.182 0.000 2.164 523 K HA 0.306 4.631 4.320 0.007 0.000 0.258 523 K C 1.061 177.881 176.600 0.366 0.000 0.951 523 K CA -0.781 55.628 56.287 0.204 0.000 0.844 523 K CB 2.679 35.250 32.500 0.118 0.000 1.099 523 K HN 0.366 nan 8.250 nan 0.000 0.435 524 R N 0.462 121.120 120.500 0.262 0.000 2.127 524 R HA -0.137 4.207 4.340 0.007 0.000 0.238 524 R C 1.962 178.410 176.300 0.246 0.000 1.134 524 R CA 1.913 58.169 56.100 0.261 0.000 0.975 524 R CB -0.182 30.193 30.300 0.126 0.000 0.865 524 R HN 0.719 nan 8.270 nan 0.000 0.447 525 S N 0.621 116.417 115.700 0.160 0.000 2.507 525 S HA -0.087 4.387 4.470 0.007 0.000 0.235 525 S C 1.055 175.707 174.600 0.087 0.000 0.988 525 S CA 0.951 59.213 58.200 0.104 0.000 0.944 525 S CB 0.005 63.237 63.200 0.053 0.000 0.762 525 S HN 0.172 nan 8.310 nan 0.000 0.526 526 D N 0.535 121.005 120.400 0.116 0.000 2.350 526 D HA -0.024 4.620 4.640 0.007 0.000 0.216 526 D C 0.314 176.429 176.300 -0.308 0.000 0.968 526 D CA 0.694 54.654 54.000 -0.067 0.000 0.894 526 D CB -0.214 40.580 40.800 -0.010 0.000 0.909 526 D HN 0.704 nan 8.370 nan 0.000 0.520 527 W N 0.565 121.819 121.300 -0.077 0.000 3.132 527 W HA 0.168 4.833 4.660 0.008 0.000 0.364 527 W C 0.242 176.709 176.519 -0.086 0.000 1.129 527 W CA -0.221 57.055 57.345 -0.115 0.000 1.815 527 W CB 0.114 29.477 29.460 -0.162 0.000 1.099 527 W HN -0.352 nan 8.180 nan 0.000 0.605 528 T N 1.679 116.289 114.554 0.093 0.000 2.749 528 T HA 0.331 4.685 4.350 0.007 0.000 0.295 528 T C -0.031 174.689 174.700 0.034 0.000 0.936 528 T CA -0.148 61.988 62.100 0.060 0.000 1.060 528 T CB 1.481 70.386 68.868 0.062 0.000 0.904 528 T HN -0.425 nan 8.240 nan 0.000 0.500 529 V N 5.640 125.574 119.914 0.032 0.000 2.333 529 V HA 0.267 4.391 4.120 0.007 0.000 0.274 529 V C 0.564 176.723 176.094 0.107 0.000 1.028 529 V CA -0.857 61.481 62.300 0.064 0.000 0.851 529 V CB 0.717 32.587 31.823 0.078 0.000 1.000 529 V HN 0.755 nan 8.190 nan 0.000 0.456 530 K N 3.572 124.046 120.400 0.123 0.000 2.219 530 K HA 0.445 4.770 4.320 0.007 0.000 0.258 530 K C -0.830 175.930 176.600 0.266 0.000 1.008 530 K CA -0.129 56.269 56.287 0.185 0.000 0.928 530 K CB 0.762 33.332 32.500 0.116 0.000 0.983 530 K HN 0.467 nan 8.250 nan 0.000 0.484 531 F N 0.191 120.201 119.950 0.099 0.000 2.577 531 F HA 0.608 5.140 4.527 0.008 0.000 0.318 531 F C -0.874 174.880 175.800 -0.077 0.000 1.065 531 F CA -0.580 57.383 58.000 -0.062 0.000 0.929 531 F CB 1.847 40.695 39.000 -0.255 0.000 1.237 531 F HN 0.587 nan 8.300 nan 0.000 0.468 532 A N 3.092 125.526 122.820 -0.642 0.000 2.587 532 A HA 0.661 4.985 4.320 0.007 0.000 0.293 532 A C -1.526 175.775 177.584 -0.472 0.000 1.087 532 A CA -0.841 50.893 52.037 -0.505 0.000 0.692 532 A CB 1.492 20.000 19.000 -0.820 0.000 1.291 532 A HN 0.741 nan 8.150 nan 0.000 0.407 533 E N 1.043 121.136 120.200 -0.178 0.000 2.222 533 E HA 0.553 4.908 4.350 0.007 0.000 0.272 533 E C -1.099 175.444 176.600 -0.095 0.000 0.982 533 E CA -1.001 55.297 56.400 -0.169 0.000 0.842 533 E CB 1.133 30.777 29.700 -0.093 0.000 1.144 533 E HN 0.422 nan 8.360 nan 0.000 0.397 534 N N 2.124 120.704 118.700 -0.200 0.000 2.417 534 N HA 0.320 5.065 4.740 0.007 0.000 0.274 534 N C -0.954 174.473 175.510 -0.138 0.000 0.987 534 N CA -0.523 52.474 53.050 -0.089 0.000 0.912 534 N CB 1.494 39.911 38.487 -0.117 0.000 1.177 534 N HN 0.394 nan 8.380 nan 0.000 0.490 535 R N 0.029 120.473 120.500 -0.094 0.000 2.803 535 R HA 0.471 4.815 4.340 0.007 0.000 0.276 535 R C 0.255 176.507 176.300 -0.080 0.000 0.978 535 R CA -0.753 55.295 56.100 -0.086 0.000 0.939 535 R CB 1.661 31.925 30.300 -0.060 0.000 1.179 535 R HN 0.627 nan 8.270 nan 0.000 0.472 536 S N 0.398 116.059 115.700 -0.065 0.000 2.634 536 S HA -0.032 4.443 4.470 0.007 0.000 0.261 536 S C 1.040 175.611 174.600 -0.047 0.000 1.271 536 S CA -0.495 57.672 58.200 -0.056 0.000 0.985 536 S CB 1.162 64.337 63.200 -0.041 0.000 0.968 536 S HN 0.693 nan 8.310 nan 0.000 0.568 537 Q N 0.811 120.586 119.800 -0.042 0.000 2.297 537 Q HA -0.159 4.185 4.340 0.007 0.000 0.208 537 Q C 1.023 177.007 176.000 -0.025 0.000 0.981 537 Q CA 2.356 58.139 55.803 -0.035 0.000 0.876 537 Q CB -0.656 28.064 28.738 -0.030 0.000 0.921 537 Q HN 0.959 nan 8.270 nan 0.000 0.446 538 D N -3.023 117.364 120.400 -0.022 0.000 2.349 538 D HA 0.206 4.851 4.640 0.007 0.000 0.214 538 D C 1.068 177.360 176.300 -0.015 0.000 1.063 538 D CA 0.585 54.576 54.000 -0.015 0.000 0.847 538 D CB 0.232 41.026 40.800 -0.011 0.000 0.933 538 D HN 0.282 nan 8.370 nan 0.000 0.513 539 G N -0.592 108.196 108.800 -0.021 0.000 2.213 539 G HA2 -0.257 3.707 3.960 0.007 0.000 0.226 539 G HA3 -0.257 3.707 3.960 0.007 0.000 0.226 539 G C 0.455 175.342 174.900 -0.022 0.000 0.992 539 G CA 0.064 45.153 45.100 -0.019 0.000 0.632 539 G HN 0.399 nan 8.290 nan 0.000 0.511 540 T N 1.901 116.441 114.554 -0.024 0.000 2.902 540 T HA 0.378 4.732 4.350 0.007 0.000 0.301 540 T C 0.399 175.070 174.700 -0.048 0.000 1.012 540 T CA 0.211 62.295 62.100 -0.027 0.000 1.151 540 T CB 1.547 70.403 68.868 -0.020 0.000 0.946 540 T HN 0.699 nan 8.240 nan 0.000 0.542 541 L N 5.176 126.367 121.223 -0.055 0.000 2.369 541 L HA 0.242 4.586 4.340 0.007 0.000 0.279 541 L C 0.633 177.435 176.870 -0.112 0.000 1.108 541 L CA 0.286 55.064 54.840 -0.103 0.000 0.852 541 L CB -0.196 41.803 42.059 -0.099 0.000 1.169 541 L HN 0.693 nan 8.230 nan 0.000 0.452 542 L N 4.967 126.102 121.223 -0.146 0.000 2.354 542 L HA 0.471 4.815 4.340 0.007 0.000 0.212 542 L C 1.204 177.984 176.870 -0.150 0.000 1.091 542 L CA 0.507 55.274 54.840 -0.122 0.000 0.828 542 L CB -0.425 41.557 42.059 -0.128 0.000 0.973 542 L HN 0.903 nan 8.230 nan 0.000 0.461 543 G N -1.703 106.920 108.800 -0.295 0.000 2.403 543 G HA2 0.111 4.075 3.960 0.007 0.000 0.223 543 G HA3 0.111 4.075 3.960 0.007 0.000 0.223 543 G C -1.949 172.532 174.900 -0.700 0.000 1.287 543 G CA -0.710 44.178 45.100 -0.352 0.000 0.982 543 G HN -0.138 nan 8.290 nan 0.000 0.471 544 Y N -0.596 119.664 120.300 -0.068 0.000 2.615 544 Y HA 0.818 5.372 4.550 0.007 0.000 0.341 544 Y C 0.257 175.980 175.900 -0.296 0.000 1.089 544 Y CA -0.731 57.203 58.100 -0.277 0.000 1.049 544 Y CB 2.437 40.702 38.460 -0.325 0.000 1.296 544 Y HN 0.628 nan 8.280 nan 0.000 0.470 545 S N 0.899 116.354 115.700 -0.408 0.000 2.541 545 S HA 0.590 5.064 4.470 0.007 0.000 0.271 545 S C -1.262 173.114 174.600 -0.373 0.000 1.133 545 S CA -0.863 57.191 58.200 -0.243 0.000 0.876 545 S CB 1.257 64.383 63.200 -0.122 0.000 1.105 545 S HN 0.468 nan 8.310 nan 0.000 0.470 546 L N 2.168 123.400 121.223 0.015 0.000 2.417 546 L HA 0.351 4.695 4.340 0.007 0.000 0.268 546 L C 0.053 176.946 176.870 0.037 0.000 1.158 546 L CA -0.368 54.573 54.840 0.167 0.000 0.819 546 L CB 0.182 42.400 42.059 0.266 0.000 1.112 546 L HN 0.535 nan 8.230 nan 0.000 0.458 547 L N 3.819 125.066 121.223 0.039 0.000 2.533 547 L HA 0.213 4.557 4.340 0.007 0.000 0.239 547 L C -0.030 176.881 176.870 0.068 0.000 1.376 547 L CA 0.404 55.250 54.840 0.010 0.000 1.240 547 L CB -0.470 41.590 42.059 0.002 0.000 1.487 547 L HN 0.634 nan 8.230 nan 0.000 0.419 548 Q N 0.854 120.710 119.800 0.092 0.000 2.403 548 Q HA 0.285 4.629 4.340 0.007 0.000 0.267 548 Q C -1.404 174.662 176.000 0.110 0.000 0.991 548 Q CA -0.625 55.246 55.803 0.114 0.000 0.906 548 Q CB 2.056 30.894 28.738 0.167 0.000 1.422 548 Q HN 0.308 nan 8.270 nan 0.000 0.400 549 E N 1.543 121.794 120.200 0.084 0.000 2.113 549 E HA 0.384 4.738 4.350 0.007 0.000 0.273 549 E C -1.083 175.541 176.600 0.040 0.000 0.924 549 E CA -0.514 55.908 56.400 0.037 0.000 0.764 549 E CB 1.891 31.614 29.700 0.037 0.000 1.104 549 E HN 0.398 nan 8.360 nan 0.000 0.406 550 S N 1.797 117.495 115.700 -0.004 0.000 2.523 550 S HA 0.003 4.477 4.470 0.007 0.000 0.275 550 S C 1.049 175.595 174.600 -0.089 0.000 1.281 550 S CA -0.579 57.630 58.200 0.014 0.000 1.050 550 S CB 1.728 65.034 63.200 0.178 0.000 0.937 550 S HN 0.479 nan 8.310 nan 0.000 0.492 551 V N 3.064 122.924 119.914 -0.090 0.000 2.515 551 V HA -0.153 3.971 4.120 0.007 0.000 0.250 551 V C 2.047 177.958 176.094 -0.305 0.000 1.058 551 V CA 2.388 64.583 62.300 -0.175 0.000 1.064 551 V CB -0.541 31.176 31.823 -0.176 0.000 0.675 551 V HN 1.010 nan 8.190 nan 0.000 0.461 552 D N -0.623 119.596 120.400 -0.302 0.000 2.117 552 D HA -0.283 4.362 4.640 0.007 0.000 0.198 552 D C 2.019 177.934 176.300 -0.642 0.000 0.982 552 D CA 1.663 55.345 54.000 -0.531 0.000 0.828 552 D CB -0.535 40.059 40.800 -0.343 0.000 0.967 552 D HN 0.567 nan 8.370 nan 0.000 0.464 553 Q N 1.522 121.138 119.800 -0.306 0.000 2.030 553 Q HA -0.131 4.213 4.340 0.007 0.000 0.204 553 Q C 2.229 178.036 176.000 -0.322 0.000 0.986 553 Q CA 2.775 58.373 55.803 -0.342 0.000 0.843 553 Q CB -0.734 27.607 28.738 -0.661 0.000 0.904 553 Q HN 0.303 nan 8.270 nan 0.000 0.420 554 A N -0.418 122.231 122.820 -0.285 0.000 1.902 554 A HA -0.176 4.148 4.320 0.007 0.000 0.217 554 A C 2.332 179.809 177.584 -0.177 0.000 1.181 554 A CA 1.899 53.810 52.037 -0.210 0.000 0.623 554 A CB -0.814 18.102 19.000 -0.140 0.000 0.818 554 A HN 0.475 nan 8.150 nan 0.000 0.443 555 S N -1.131 114.401 115.700 -0.280 0.000 2.383 555 S HA -0.114 4.360 4.470 0.007 0.000 0.227 555 S C 1.757 176.292 174.600 -0.109 0.000 1.026 555 S CA 1.315 59.365 58.200 -0.251 0.000 0.981 555 S CB -0.520 62.426 63.200 -0.423 0.000 0.818 555 S HN 0.653 nan 8.310 nan 0.000 0.472 556 Y N 1.271 121.512 120.300 -0.098 0.000 2.352 556 Y HA 0.094 4.648 4.550 0.007 0.000 0.292 556 Y C 2.338 178.167 175.900 -0.118 0.000 1.136 556 Y CA 0.145 58.188 58.100 -0.095 0.000 1.227 556 Y CB -0.592 37.808 38.460 -0.101 0.000 0.991 556 Y HN 0.217 nan 8.280 nan 0.000 0.545 557 M N -1.916 117.667 119.600 -0.028 0.000 2.200 557 M HA -0.194 4.291 4.480 0.007 0.000 0.265 557 M C 2.073 178.379 176.300 0.010 0.000 1.066 557 M CA 1.237 56.484 55.300 -0.089 0.000 1.127 557 M CB -1.446 31.052 32.600 -0.171 0.000 1.379 557 M HN 0.367 nan 8.290 nan 0.000 0.420 558 Y N 0.912 121.174 120.300 -0.064 0.000 2.165 558 Y HA -0.252 4.302 4.550 0.007 0.000 0.286 558 Y C 2.863 178.762 175.900 -0.002 0.000 1.155 558 Y CA 2.226 60.301 58.100 -0.041 0.000 1.164 558 Y CB -0.438 37.967 38.460 -0.093 0.000 0.978 558 Y HN 0.252 nan 8.280 nan 0.000 0.513 559 S N -0.347 115.394 115.700 0.068 0.000 2.359 559 S HA -0.258 4.217 4.470 0.007 0.000 0.224 559 S C 1.941 176.629 174.600 0.147 0.000 1.035 559 S CA 1.946 60.206 58.200 0.100 0.000 1.018 559 S CB -0.836 62.498 63.200 0.223 0.000 0.876 559 S HN 0.723 nan 8.310 nan 0.000 0.448 560 D N 1.148 121.610 120.400 0.103 0.000 2.092 560 D HA -0.125 4.519 4.640 0.007 0.000 0.193 560 D C 1.993 178.281 176.300 -0.019 0.000 0.994 560 D CA 1.585 55.632 54.000 0.078 0.000 0.828 560 D CB -0.529 40.299 40.800 0.047 0.000 0.963 560 D HN 0.385 nan 8.370 nan 0.000 0.450 561 N N -0.894 117.779 118.700 -0.045 0.000 2.166 561 N HA -0.201 4.543 4.740 0.007 0.000 0.186 561 N C 1.749 177.154 175.510 -0.176 0.000 1.019 561 N CA 1.138 54.135 53.050 -0.088 0.000 0.856 561 N CB -0.510 37.984 38.487 0.012 0.000 0.993 561 N HN 0.461 nan 8.380 nan 0.000 0.426 562 H N -0.123 118.717 119.070 -0.383 0.000 2.321 562 H HA -0.092 4.468 4.556 0.007 0.000 0.300 562 H C 1.454 176.567 175.328 -0.359 0.000 1.087 562 H CA 1.775 57.541 56.048 -0.471 0.000 1.319 562 H CB -0.280 29.044 29.762 -0.730 0.000 1.379 562 H HN 0.189 nan 8.280 nan 0.000 0.501 563 Y N -0.147 120.038 120.300 -0.191 0.000 2.373 563 Y HA -0.022 4.532 4.550 0.007 0.000 0.293 563 Y C 2.469 178.237 175.900 -0.220 0.000 1.129 563 Y CA 0.704 58.691 58.100 -0.189 0.000 1.226 563 Y CB -0.202 38.255 38.460 -0.005 0.000 1.000 563 Y HN 0.197 nan 8.280 nan 0.000 0.549 564 L N -1.078 120.046 121.223 -0.165 0.000 2.141 564 L HA -0.188 4.156 4.340 0.007 0.000 0.209 564 L C 2.578 179.347 176.870 -0.168 0.000 1.094 564 L CA 0.961 55.614 54.840 -0.313 0.000 0.763 564 L CB -0.627 40.849 42.059 -0.970 0.000 0.908 564 L HN 0.228 nan 8.230 nan 0.000 0.437 565 A N -0.047 122.680 122.820 -0.155 0.000 1.898 565 A HA -0.197 4.127 4.320 0.007 0.000 0.216 565 A C 2.148 179.672 177.584 -0.100 0.000 1.181 565 A CA 1.440 53.460 52.037 -0.028 0.000 0.620 565 A CB -0.354 18.606 19.000 -0.066 0.000 0.819 565 A HN 0.426 nan 8.150 nan 0.000 0.442 566 E N -0.593 119.496 120.200 -0.185 0.000 2.110 566 E HA -0.166 4.188 4.350 0.007 0.000 0.193 566 E C 2.069 178.581 176.600 -0.147 0.000 0.988 566 E CA 1.333 57.640 56.400 -0.155 0.000 0.804 566 E CB -0.287 29.324 29.700 -0.149 0.000 0.745 566 E HN 0.666 nan 8.360 nan 0.000 0.458 567 M N 0.456 119.967 119.600 -0.147 0.000 2.132 567 M HA -0.099 4.385 4.480 0.007 0.000 0.263 567 M C 2.544 178.635 176.300 -0.350 0.000 1.065 567 M CA 1.252 56.410 55.300 -0.235 0.000 1.122 567 M CB -0.231 32.300 32.600 -0.115 0.000 1.365 567 M HN 0.104 nan 8.290 nan 0.000 0.411 568 A N 0.077 122.731 122.820 -0.276 0.000 1.908 568 A HA -0.161 4.163 4.320 0.007 0.000 0.218 568 A C 2.191 179.636 177.584 -0.232 0.000 1.181 568 A CA 2.319 54.156 52.037 -0.333 0.000 0.627 568 A CB -1.201 17.777 19.000 -0.035 0.000 0.818 568 A HN 0.450 nan 8.150 nan 0.000 0.445 569 T N 0.524 114.986 114.554 -0.152 0.000 2.746 569 T HA -0.107 4.247 4.350 0.007 0.000 0.267 569 T C 1.795 176.416 174.700 -0.133 0.000 1.039 569 T CA 1.392 63.423 62.100 -0.116 0.000 1.142 569 T CB -0.301 68.518 68.868 -0.082 0.000 0.866 569 T HN 0.310 nan 8.240 nan 0.000 0.444 570 I N 1.247 121.714 120.570 -0.171 0.000 2.163 570 I HA -0.086 4.088 4.170 0.007 0.000 0.243 570 I C 2.128 178.135 176.117 -0.183 0.000 1.085 570 I CA 1.429 62.626 61.300 -0.172 0.000 1.347 570 I CB -1.193 36.632 38.000 -0.291 0.000 1.044 570 I HN 0.291 nan 8.210 nan 0.000 0.408 571 L N 0.437 121.503 121.223 -0.261 0.000 2.610 571 L HA 0.093 4.438 4.340 0.007 0.000 0.232 571 L C 1.224 177.980 176.870 -0.190 0.000 1.149 571 L CA 0.487 55.171 54.840 -0.260 0.000 0.872 571 L CB -0.714 41.094 42.059 -0.419 0.000 0.992 571 L HN 0.514 nan 8.230 nan 0.000 0.447 572 G N 1.354 110.062 108.800 -0.153 0.000 2.256 572 G HA2 -0.294 3.670 3.960 0.007 0.000 0.272 572 G HA3 -0.294 3.670 3.960 0.007 0.000 0.272 572 G C 0.138 174.973 174.900 -0.108 0.000 1.076 572 G CA 0.018 45.053 45.100 -0.108 0.000 0.882 572 G HN 0.470 nan 8.290 nan 0.000 0.497 573 K N 0.333 120.655 120.400 -0.130 0.000 2.800 573 K HA 0.247 4.571 4.320 0.007 0.000 0.185 573 K C -1.167 175.392 176.600 -0.069 0.000 1.082 573 K CA -1.426 54.800 56.287 -0.102 0.000 0.978 573 K CB 1.991 34.408 32.500 -0.138 0.000 1.364 573 K HN 0.175 nan 8.250 nan 0.000 0.592 574 P HA -0.252 nan 4.420 nan 0.000 0.216 574 P C 0.812 178.088 177.300 -0.040 0.000 1.157 574 P CA 1.456 64.529 63.100 -0.044 0.000 0.880 574 P CB 0.436 32.112 31.700 -0.040 0.000 0.791 575 E N 0.249 120.423 120.200 -0.043 0.000 2.077 575 E HA -0.170 4.184 4.350 0.007 0.000 0.193 575 E C 2.152 178.709 176.600 -0.073 0.000 0.989 575 E CA 1.094 57.463 56.400 -0.051 0.000 0.800 575 E CB -0.436 29.235 29.700 -0.049 0.000 0.746 575 E HN 0.477 nan 8.360 nan 0.000 0.452 576 E N 0.466 120.630 120.200 -0.060 0.000 2.110 576 E HA -0.133 4.221 4.350 0.007 0.000 0.193 576 E C 2.020 178.587 176.600 -0.054 0.000 0.988 576 E CA 0.886 57.230 56.400 -0.094 0.000 0.804 576 E CB -0.075 29.658 29.700 0.055 0.000 0.745 576 E HN 0.189 nan 8.360 nan 0.000 0.458 577 A N 1.674 124.514 122.820 0.033 0.000 1.908 577 A HA -0.251 4.074 4.320 0.007 0.000 0.218 577 A C 1.974 179.571 177.584 0.022 0.000 1.181 577 A CA 1.487 53.567 52.037 0.071 0.000 0.627 577 A CB -0.316 18.688 19.000 0.006 0.000 0.818 577 A HN 0.043 nan 8.150 nan 0.000 0.445 578 K N -0.802 119.581 120.400 -0.028 0.000 2.063 578 K HA -0.143 4.181 4.320 0.007 0.000 0.208 578 K C 2.385 178.949 176.600 -0.060 0.000 1.048 578 K CA 1.491 57.756 56.287 -0.037 0.000 0.928 578 K CB -0.214 32.261 32.500 -0.043 0.000 0.713 578 K HN 0.402 nan 8.250 nan 0.000 0.442 579 R N -0.306 120.110 120.500 -0.139 0.000 2.083 579 R HA -0.164 4.180 4.340 0.007 0.000 0.237 579 R C 2.340 178.532 176.300 -0.180 0.000 1.137 579 R CA 1.727 57.700 56.100 -0.210 0.000 0.951 579 R CB -0.360 29.721 30.300 -0.366 0.000 0.851 579 R HN 0.247 nan 8.270 nan 0.000 0.434 580 Y N 0.203 120.472 120.300 -0.052 0.000 2.200 580 Y HA -0.132 4.422 4.550 0.007 0.000 0.290 580 Y C 2.482 178.343 175.900 -0.065 0.000 1.137 580 Y CA 1.006 59.065 58.100 -0.068 0.000 1.163 580 Y CB -0.438 37.965 38.460 -0.095 0.000 0.988 580 Y HN -0.014 nan 8.280 nan 0.000 0.518 581 R N 0.212 120.764 120.500 0.087 0.000 2.091 581 R HA -0.252 4.092 4.340 0.007 0.000 0.238 581 R C 2.351 178.671 176.300 0.034 0.000 1.136 581 R CA 1.881 58.000 56.100 0.032 0.000 0.959 581 R CB -0.256 30.054 30.300 0.016 0.000 0.856 581 R HN 0.452 nan 8.270 nan 0.000 0.437 582 Q N 0.201 120.015 119.800 0.024 0.000 2.119 582 Q HA -0.125 4.219 4.340 0.007 0.000 0.201 582 Q C 2.106 178.132 176.000 0.043 0.000 0.972 582 Q CA 1.151 56.968 55.803 0.024 0.000 0.847 582 Q CB 0.061 28.797 28.738 -0.003 0.000 0.903 582 Q HN 0.384 nan 8.270 nan 0.000 0.433 583 L N 0.053 121.307 121.223 0.052 0.000 2.056 583 L HA -0.136 4.208 4.340 0.007 0.000 0.207 583 L C 2.560 179.484 176.870 0.089 0.000 1.078 583 L CA 0.885 55.772 54.840 0.079 0.000 0.749 583 L CB -0.581 41.559 42.059 0.136 0.000 0.901 583 L HN 0.288 nan 8.230 nan 0.000 0.433 584 A N -0.291 122.565 122.820 0.060 0.000 1.865 584 A HA -0.287 4.037 4.320 0.007 0.000 0.217 584 A C 2.194 179.906 177.584 0.214 0.000 1.191 584 A CA 1.779 53.816 52.037 0.001 0.000 0.623 584 A CB -0.610 18.245 19.000 -0.243 0.000 0.826 584 A HN 0.468 nan 8.150 nan 0.000 0.444 585 Q N -0.757 119.140 119.800 0.163 0.000 2.135 585 Q HA -0.251 4.094 4.340 0.007 0.000 0.204 585 Q C 2.326 178.411 176.000 0.141 0.000 0.981 585 Q CA 1.718 57.625 55.803 0.173 0.000 0.856 585 Q CB -0.224 28.577 28.738 0.105 0.000 0.902 585 Q HN 0.782 nan 8.270 nan 0.000 0.425 586 Q N 0.199 120.068 119.800 0.115 0.000 2.079 586 Q HA -0.131 4.214 4.340 0.007 0.000 0.200 586 Q C 2.161 178.237 176.000 0.126 0.000 0.974 586 Q CA 0.962 56.825 55.803 0.100 0.000 0.840 586 Q CB -0.061 28.718 28.738 0.068 0.000 0.898 586 Q HN 0.385 nan 8.270 nan 0.000 0.430 587 L N 0.184 121.490 121.223 0.139 0.000 2.056 587 L HA -0.164 4.180 4.340 0.007 0.000 0.207 587 L C 2.523 179.470 176.870 0.128 0.000 1.078 587 L CA 0.907 55.826 54.840 0.132 0.000 0.749 587 L CB -0.546 41.600 42.059 0.145 0.000 0.901 587 L HN 0.205 nan 8.230 nan 0.000 0.433 588 A N -0.040 122.855 122.820 0.126 0.000 1.883 588 A HA -0.259 4.066 4.320 0.007 0.000 0.217 588 A C 1.945 179.527 177.584 -0.004 0.000 1.186 588 A CA 2.135 54.132 52.037 -0.067 0.000 0.624 588 A CB -0.593 18.355 19.000 -0.086 0.000 0.822 588 A HN 0.376 nan 8.150 nan 0.000 0.444 589 D N -1.839 118.596 120.400 0.059 0.000 2.117 589 D HA -0.155 4.489 4.640 0.007 0.000 0.197 589 D C 1.700 178.043 176.300 0.072 0.000 0.987 589 D CA 1.540 55.572 54.000 0.053 0.000 0.829 589 D CB -0.436 40.402 40.800 0.064 0.000 0.961 589 D HN 0.637 nan 8.370 nan 0.000 0.460 590 Y N 1.291 121.591 120.300 0.000 0.000 2.163 590 Y HA -0.135 4.419 4.550 0.007 0.000 0.288 590 Y C 2.322 178.226 175.900 0.007 0.000 1.136 590 Y CA 1.227 59.329 58.100 0.003 0.000 1.147 590 Y CB -0.227 38.230 38.460 -0.004 0.000 0.987 590 Y HN -0.126 nan 8.280 nan 0.000 0.509 591 I N 0.313 120.990 120.570 0.178 0.000 2.208 591 I HA -0.384 3.791 4.170 0.007 0.000 0.245 591 I C 1.741 177.932 176.117 0.124 0.000 1.097 591 I CA 2.099 63.449 61.300 0.083 0.000 1.363 591 I CB -0.527 37.425 38.000 -0.080 0.000 1.051 591 I HN 0.341 nan 8.210 nan 0.000 0.413 592 N N -0.333 118.420 118.700 0.088 0.000 2.171 592 N HA -0.124 4.620 4.740 0.007 0.000 0.184 592 N C 1.706 177.255 175.510 0.065 0.000 1.021 592 N CA 1.699 54.816 53.050 0.112 0.000 0.854 592 N CB -0.056 38.424 38.487 -0.012 0.000 0.994 592 N HN 0.225 nan 8.380 nan 0.000 0.426 593 T N -0.512 114.034 114.554 -0.013 0.000 2.851 593 T HA -0.031 4.323 4.350 0.007 0.000 0.262 593 T C 2.000 176.646 174.700 -0.091 0.000 1.043 593 T CA 0.769 62.838 62.100 -0.052 0.000 1.140 593 T CB -0.230 68.583 68.868 -0.091 0.000 0.872 593 T HN 0.368 nan 8.240 nan 0.000 0.446 594 c N 0.592 119.062 118.600 -0.216 0.000 2.507 594 c HA 0.307 4.881 4.570 0.007 0.000 0.280 594 c C 2.606 176.655 174.090 -0.068 0.000 1.345 594 c CA 0.123 56.292 56.329 -0.266 0.000 1.736 594 c CB -0.848 41.226 42.510 -0.725 0.000 2.060 594 c HN 0.507 nan 8.230 nan 0.000 0.498 595 M N -0.931 118.699 119.600 0.050 0.000 2.492 595 M HA 0.193 4.678 4.480 0.007 0.000 0.255 595 M C 0.223 176.692 176.300 0.281 0.000 1.139 595 M CA 0.399 55.807 55.300 0.179 0.000 1.096 595 M CB 0.167 32.882 32.600 0.192 0.000 1.360 595 M HN 0.229 nan 8.290 nan 0.000 0.480 596 F N 2.205 122.197 119.950 0.069 0.000 2.421 596 F HA 0.209 4.740 4.527 0.007 0.000 0.358 596 F C 0.095 175.851 175.800 -0.073 0.000 1.115 596 F CA -1.308 56.575 58.000 -0.194 0.000 1.160 596 F CB 0.304 39.034 39.000 -0.450 0.000 1.123 596 F HN -0.091 nan 8.300 nan 0.000 0.508 597 D N 8.611 128.728 120.400 -0.473 0.000 2.317 597 D HA 0.227 4.871 4.640 0.007 0.000 0.252 597 D C -1.964 174.085 176.300 -0.419 0.000 1.174 597 D CA -2.236 51.596 54.000 -0.281 0.000 0.866 597 D CB 1.651 42.402 40.800 -0.082 0.000 1.127 597 D HN 0.259 nan 8.370 nan 0.000 0.467 598 P HA -0.119 nan 4.420 nan 0.000 0.216 598 P C 1.038 178.304 177.300 -0.056 0.000 1.150 598 P CA 1.278 64.362 63.100 -0.027 0.000 0.837 598 P CB 0.258 31.971 31.700 0.021 0.000 0.786 599 T N -1.073 113.437 114.554 -0.073 0.000 2.698 599 T HA -0.107 4.247 4.350 0.007 0.000 0.260 599 T C 1.748 176.421 174.700 -0.045 0.000 1.044 599 T CA 2.257 64.328 62.100 -0.049 0.000 1.149 599 T CB -1.339 67.500 68.868 -0.049 0.000 0.864 599 T HN 0.278 nan 8.240 nan 0.000 0.419 600 T N -0.460 114.066 114.554 -0.047 0.000 3.148 600 T HA 0.039 4.393 4.350 0.007 0.000 0.253 600 T C 0.517 175.206 174.700 -0.018 0.000 1.134 600 T CA 0.032 62.138 62.100 0.009 0.000 1.051 600 T CB -0.248 68.686 68.868 0.111 0.000 0.959 600 T HN 0.230 nan 8.240 nan 0.000 0.525 601 Q N 0.231 119.916 119.800 -0.192 0.000 2.453 601 Q HA -0.146 4.199 4.340 0.007 0.000 0.330 601 Q C -0.794 175.043 176.000 -0.273 0.000 1.417 601 Q CA 0.641 56.249 55.803 -0.325 0.000 0.902 601 Q CB -2.022 26.747 28.738 0.052 0.000 1.154 601 Q HN 0.739 nan 8.270 nan 0.000 0.395 602 F N -0.789 118.676 119.950 -0.808 0.000 2.713 602 F HA 0.479 5.010 4.527 0.007 0.000 0.311 602 F C -1.109 174.257 175.800 -0.724 0.000 1.141 602 F CA -1.126 56.544 58.000 -0.550 0.000 0.939 602 F CB 1.059 39.842 39.000 -0.361 0.000 1.325 602 F HN -0.015 nan 8.300 nan 0.000 0.453 603 Y N 2.099 121.842 120.300 -0.929 0.000 2.335 603 Y HA 0.606 5.160 4.550 0.007 0.000 0.323 603 Y C -0.925 174.554 175.900 -0.702 0.000 1.224 603 Y CA -0.225 57.535 58.100 -0.566 0.000 1.241 603 Y CB 1.070 39.263 38.460 -0.445 0.000 1.235 603 Y HN 0.413 nan 8.280 nan 0.000 0.492 604 Y N -0.902 119.447 120.300 0.082 0.000 2.670 604 Y HA 0.264 4.818 4.550 0.007 0.000 0.334 604 Y C -0.629 175.270 175.900 -0.002 0.000 1.185 604 Y CA -1.641 56.479 58.100 0.035 0.000 1.053 604 Y CB 0.986 39.461 38.460 0.024 0.000 1.298 604 Y HN 0.433 nan 8.280 nan 0.000 0.459 605 D N 0.736 121.222 120.400 0.143 0.000 2.371 605 D HA 0.440 5.084 4.640 0.007 0.000 0.242 605 D C -0.778 175.565 176.300 0.072 0.000 1.218 605 D CA 0.132 54.170 54.000 0.064 0.000 0.945 605 D CB 1.116 41.921 40.800 0.007 0.000 1.137 605 D HN 0.399 nan 8.370 nan 0.000 0.464 606 V N -1.952 118.001 119.914 0.065 0.000 2.789 606 V HA 0.608 4.732 4.120 0.007 0.000 0.311 606 V C -0.196 175.928 176.094 0.050 0.000 1.073 606 V CA -1.111 61.218 62.300 0.049 0.000 0.921 606 V CB 1.903 33.766 31.823 0.068 0.000 1.009 606 V HN 0.347 nan 8.190 nan 0.000 0.426 607 R N 2.685 123.201 120.500 0.026 0.000 2.560 607 R HA 0.579 4.923 4.340 0.007 0.000 0.270 607 R C -0.463 175.867 176.300 0.050 0.000 1.074 607 R CA -0.558 55.562 56.100 0.033 0.000 1.140 607 R CB 1.270 31.575 30.300 0.008 0.000 1.073 607 R HN 0.738 nan 8.270 nan 0.000 0.527 608 I N 3.023 123.628 120.570 0.058 0.000 2.276 608 I HA 0.071 4.245 4.170 0.007 0.000 0.290 608 I C 0.393 176.542 176.117 0.054 0.000 1.109 608 I CA -0.009 61.331 61.300 0.067 0.000 1.229 608 I CB 0.339 38.388 38.000 0.081 0.000 1.452 608 I HN 0.451 nan 8.210 nan 0.000 0.497 609 E N 4.134 124.360 120.200 0.043 0.000 2.410 609 E HA -0.017 4.338 4.350 0.007 0.000 0.255 609 E C 0.556 177.177 176.600 0.036 0.000 1.194 609 E CA -0.511 55.907 56.400 0.030 0.000 0.955 609 E CB 0.932 30.643 29.700 0.018 0.000 0.988 609 E HN 0.437 nan 8.360 nan 0.000 0.461 610 D N 0.830 121.246 120.400 0.027 0.000 2.203 610 D HA -0.165 4.480 4.640 0.007 0.000 0.199 610 D C 0.233 176.550 176.300 0.028 0.000 0.997 610 D CA 1.635 55.652 54.000 0.028 0.000 0.863 610 D CB 0.074 40.885 40.800 0.018 0.000 0.928 610 D HN 0.348 nan 8.370 nan 0.000 0.458 611 K N -0.090 120.324 120.400 0.024 0.000 2.525 611 K HA 0.434 4.758 4.320 0.007 0.000 0.254 611 K C -3.042 173.572 176.600 0.023 0.000 0.934 611 K CA -1.540 54.760 56.287 0.021 0.000 0.802 611 K CB 2.641 35.149 32.500 0.014 0.000 1.295 611 K HN -0.297 nan 8.250 nan 0.000 0.433 612 P HA 0.013 nan 4.420 nan 0.000 0.270 612 P C -0.239 177.072 177.300 0.018 0.000 1.227 612 P CA -0.336 62.782 63.100 0.032 0.000 0.788 612 P CB 0.658 32.382 31.700 0.040 0.000 0.926 613 L N 0.699 121.930 121.223 0.013 0.000 2.466 613 L HA 0.177 4.522 4.340 0.007 0.000 0.257 613 L C 2.124 178.994 176.870 -0.001 0.000 1.189 613 L CA -0.446 54.393 54.840 -0.002 0.000 0.813 613 L CB 0.016 42.065 42.059 -0.017 0.000 1.118 613 L HN 0.427 nan 8.230 nan 0.000 0.471 614 A N 1.685 124.502 122.820 -0.005 0.000 1.986 614 A HA -0.211 4.113 4.320 0.007 0.000 0.220 614 A C 1.570 179.152 177.584 -0.004 0.000 1.171 614 A CA 2.042 54.077 52.037 -0.003 0.000 0.640 614 A CB -0.832 18.164 19.000 -0.006 0.000 0.811 614 A HN 0.941 nan 8.150 nan 0.000 0.451 615 N N -1.328 117.365 118.700 -0.012 0.000 2.383 615 N HA 0.266 5.010 4.740 0.007 0.000 0.192 615 N C 0.983 176.489 175.510 -0.007 0.000 1.141 615 N CA 1.117 54.157 53.050 -0.016 0.000 0.851 615 N CB -0.329 38.138 38.487 -0.034 0.000 0.976 615 N HN 0.786 nan 8.380 nan 0.000 0.465 616 G N -1.004 107.802 108.800 0.010 0.000 2.176 616 G HA2 -0.297 3.668 3.960 0.007 0.000 0.253 616 G HA3 -0.297 3.668 3.960 0.007 0.000 0.253 616 G C 0.067 175.016 174.900 0.082 0.000 0.979 616 G CA 0.148 45.276 45.100 0.047 0.000 0.641 616 G HN 0.505 nan 8.290 nan 0.000 0.530 617 c N 1.137 119.735 118.600 -0.002 0.000 2.644 617 c HA 0.577 5.151 4.570 0.007 0.000 0.417 617 c C 2.451 176.587 174.090 0.077 0.000 1.304 617 c CA 0.434 56.736 56.329 -0.045 0.000 2.035 617 c CB 0.658 43.059 42.510 -0.182 0.000 2.673 617 c HN 0.919 nan 8.230 nan 0.000 0.602 618 A N 2.730 125.665 122.820 0.192 0.000 1.908 618 A HA 0.344 4.668 4.320 0.007 0.000 0.218 618 A C 1.152 178.781 177.584 0.075 0.000 1.181 618 A CA 1.886 54.008 52.037 0.143 0.000 0.627 618 A CB -0.519 18.587 19.000 0.176 0.000 0.818 618 A HN 1.294 nan 8.150 nan 0.000 0.445 619 G N -1.969 106.862 108.800 0.052 0.000 2.554 619 G HA2 0.487 4.451 3.960 0.007 0.000 0.306 619 G HA3 0.487 4.451 3.960 0.007 0.000 0.306 619 G C -1.322 173.573 174.900 -0.009 0.000 1.320 619 G CA -0.801 44.310 45.100 0.017 0.000 0.800 619 G HN 0.214 nan 8.290 nan 0.000 0.481 620 K N 0.474 120.859 120.400 -0.024 0.000 2.098 620 K HA 0.460 4.784 4.320 0.007 0.000 0.257 620 K C -2.508 174.063 176.600 -0.049 0.000 0.999 620 K CA -1.385 54.875 56.287 -0.044 0.000 0.924 620 K CB 1.254 33.719 32.500 -0.059 0.000 1.028 620 K HN 0.127 nan 8.250 nan 0.000 0.466 621 P HA -0.006 nan 4.420 nan 0.000 0.268 621 P C -0.457 176.745 177.300 -0.163 0.000 1.205 621 P CA -0.059 63.010 63.100 -0.051 0.000 0.771 621 P CB 0.312 31.996 31.700 -0.027 0.000 0.858 622 I N 3.711 124.194 120.570 -0.145 0.000 2.212 622 I HA -0.027 4.147 4.170 0.007 0.000 0.285 622 I C 1.724 177.597 176.117 -0.407 0.000 1.116 622 I CA -0.009 61.157 61.300 -0.223 0.000 1.644 622 I CB -1.175 36.727 38.000 -0.163 0.000 1.485 622 I HN 0.203 nan 8.210 nan 0.000 0.728 623 V N 2.457 122.006 119.914 -0.609 0.000 2.407 623 V HA -0.192 3.932 4.120 0.007 0.000 0.248 623 V C 2.160 178.017 176.094 -0.394 0.000 1.055 623 V CA 1.626 63.403 62.300 -0.872 0.000 1.049 623 V CB -0.751 30.672 31.823 -0.668 0.000 0.662 623 V HN 0.642 nan 8.190 nan 0.000 0.455 624 E N 1.844 121.887 120.200 -0.262 0.000 2.265 624 E HA -0.272 4.083 4.350 0.007 0.000 0.196 624 E C 1.976 178.469 176.600 -0.180 0.000 0.996 624 E CA 1.475 57.808 56.400 -0.111 0.000 0.832 624 E CB -0.533 29.150 29.700 -0.029 0.000 0.756 624 E HN 0.676 nan 8.360 nan 0.000 0.491 625 R N 0.971 121.236 120.500 -0.392 0.000 2.320 625 R HA 0.188 4.533 4.340 0.007 0.000 0.211 625 R C 0.724 177.019 176.300 -0.007 0.000 0.931 625 R CA 0.421 56.197 56.100 -0.540 0.000 1.071 625 R CB 0.141 30.014 30.300 -0.712 0.000 1.025 625 R HN 0.317 nan 8.270 nan 0.000 0.495 626 G N 1.659 110.509 108.800 0.083 0.000 2.829 626 G HA2 -0.276 3.688 3.960 0.007 0.000 0.628 626 G HA3 -0.276 3.688 3.960 0.007 0.000 0.628 626 G C -0.985 174.118 174.900 0.337 0.000 1.412 626 G CA -0.844 44.382 45.100 0.209 0.000 0.864 626 G HN 0.183 nan 8.290 nan 0.000 0.544 627 K N 0.215 120.777 120.400 0.270 0.000 2.144 627 K HA 0.634 4.958 4.320 0.007 0.000 0.270 627 K C 0.693 177.520 176.600 0.378 0.000 1.005 627 K CA 0.115 56.557 56.287 0.259 0.000 0.932 627 K CB 1.644 34.042 32.500 -0.170 0.000 1.021 627 K HN 1.043 nan 8.250 nan 0.000 0.462 628 G N 1.055 110.131 108.800 0.461 0.000 2.766 628 G HA2 0.307 4.271 3.960 0.007 0.000 0.288 628 G HA3 0.307 4.271 3.960 0.007 0.000 0.288 628 G C -2.290 172.617 174.900 0.011 0.000 1.408 628 G CA -1.057 44.260 45.100 0.361 0.000 0.852 628 G HN 0.276 nan 8.290 nan 0.000 0.487 629 P HA -0.096 nan 4.420 nan 0.000 0.222 629 P C 1.318 177.878 177.300 -1.233 0.000 1.147 629 P CA 1.136 63.381 63.100 -1.424 0.000 0.790 629 P CB 0.219 31.578 31.700 -0.568 0.000 0.780 630 E N 0.636 120.513 120.200 -0.538 0.000 2.333 630 E HA -0.118 4.236 4.350 0.007 0.000 0.198 630 E C 2.033 178.335 176.600 -0.497 0.000 1.007 630 E CA 1.459 57.602 56.400 -0.428 0.000 0.845 630 E CB -1.642 27.916 29.700 -0.237 0.000 0.766 630 E HN 0.219 nan 8.360 nan 0.000 0.507 631 G N 1.273 109.754 108.800 -0.532 0.000 2.448 631 G HA2 -0.219 3.745 3.960 0.007 0.000 0.219 631 G HA3 -0.219 3.745 3.960 0.007 0.000 0.219 631 G C 1.052 175.624 174.900 -0.546 0.000 1.127 631 G CA 0.694 45.342 45.100 -0.752 0.000 0.766 631 G HN 0.580 nan 8.290 nan 0.000 0.552 632 W N -0.461 120.663 121.300 -0.293 0.000 3.239 632 W HA 0.577 5.241 4.660 0.007 0.000 0.368 632 W C 1.721 178.132 176.519 -0.180 0.000 1.154 632 W CA -0.356 56.859 57.345 -0.217 0.000 1.860 632 W CB -0.325 29.052 29.460 -0.139 0.000 1.094 632 W HN 0.008 nan 8.180 nan 0.000 0.643 633 S N 2.087 117.642 115.700 -0.242 0.000 2.382 633 S HA -0.090 4.384 4.470 0.007 0.000 0.228 633 S C -0.395 174.061 174.600 -0.240 0.000 1.027 633 S CA 1.738 59.803 58.200 -0.225 0.000 0.991 633 S CB -1.027 61.899 63.200 -0.456 0.000 0.823 633 S HN 0.070 nan 8.310 nan 0.000 0.469 634 P HA -0.025 nan 4.420 nan 0.000 0.218 634 P C 1.086 178.236 177.300 -0.249 0.000 1.148 634 P CA 0.768 63.563 63.100 -0.508 0.000 0.822 634 P CB 0.018 31.093 31.700 -1.041 0.000 0.784 635 L N -2.147 119.017 121.223 -0.098 0.000 2.023 635 L HA -0.066 4.279 4.340 0.007 0.000 0.205 635 L C 2.279 179.286 176.870 0.229 0.000 1.073 635 L CA 1.620 56.530 54.840 0.116 0.000 0.745 635 L CB -1.785 40.319 42.059 0.075 0.000 0.900 635 L HN -0.078 nan 8.230 nan 0.000 0.435 636 F N 1.009 120.996 119.950 0.061 0.000 2.091 636 F HA -0.262 4.270 4.527 0.008 0.000 0.299 636 F C 2.212 178.019 175.800 0.011 0.000 1.103 636 F CA 1.755 59.773 58.000 0.031 0.000 1.228 636 F CB -0.500 38.513 39.000 0.021 0.000 0.984 636 F HN 0.191 nan 8.300 nan 0.000 0.477 637 N N 0.339 118.837 118.700 -0.337 0.000 2.521 637 N HA 0.057 4.801 4.740 0.007 0.000 0.188 637 N C 1.538 176.949 175.510 -0.165 0.000 1.146 637 N CA 1.045 53.873 53.050 -0.370 0.000 0.893 637 N CB -0.197 38.187 38.487 -0.172 0.000 0.975 637 N HN 0.542 nan 8.380 nan 0.000 0.451 638 G N 0.349 109.069 108.800 -0.133 0.000 2.143 638 G HA2 -0.325 3.639 3.960 0.007 0.000 0.248 638 G HA3 -0.325 3.639 3.960 0.007 0.000 0.248 638 G C 0.942 175.662 174.900 -0.300 0.000 0.991 638 G CA 0.514 45.556 45.100 -0.097 0.000 0.689 638 G HN 0.515 nan 8.290 nan 0.000 0.522 639 A N -0.633 121.826 122.820 -0.601 0.000 2.081 639 A HA 0.746 5.070 4.320 0.007 0.000 0.214 639 A C 1.792 179.127 177.584 -0.415 0.000 1.158 639 A CA 1.727 53.182 52.037 -0.970 0.000 0.724 639 A CB -0.119 18.249 19.000 -1.053 0.000 0.826 639 A HN 2.091 nan 8.150 nan 0.000 0.463 640 A N 0.631 123.312 122.820 -0.232 0.000 2.425 640 A HA 0.488 4.812 4.320 0.007 0.000 0.242 640 A C 0.913 178.449 177.584 -0.080 0.000 1.077 640 A CA 0.395 52.333 52.037 -0.165 0.000 0.781 640 A CB -0.319 18.519 19.000 -0.271 0.000 1.020 640 A HN 0.700 nan 8.150 nan 0.000 0.494 641 T N -0.484 113.993 114.554 -0.129 0.000 2.816 641 T HA 0.285 4.639 4.350 0.007 0.000 0.282 641 T C 0.925 175.567 174.700 -0.098 0.000 0.993 641 T CA 0.225 62.283 62.100 -0.070 0.000 0.994 641 T CB 0.833 69.623 68.868 -0.130 0.000 1.025 641 T HN 0.626 nan 8.240 nan 0.000 0.529 642 Q N 0.960 120.779 119.800 0.032 0.000 2.124 642 Q HA 0.007 4.352 4.340 0.007 0.000 0.202 642 Q C 2.346 178.314 176.000 -0.054 0.000 0.977 642 Q CA 2.164 58.010 55.803 0.072 0.000 0.850 642 Q CB -1.098 27.713 28.738 0.121 0.000 0.901 642 Q HN 0.906 nan 8.270 nan 0.000 0.429 643 A N 0.608 123.369 122.820 -0.099 0.000 1.877 643 A HA -0.219 4.106 4.320 0.007 0.000 0.216 643 A C 1.907 179.345 177.584 -0.243 0.000 1.186 643 A CA 1.798 53.758 52.037 -0.129 0.000 0.620 643 A CB -0.817 18.100 19.000 -0.138 0.000 0.822 643 A HN 0.502 nan 8.150 nan 0.000 0.443 644 N N 0.325 118.751 118.700 -0.457 0.000 2.309 644 N HA -0.049 4.695 4.740 0.007 0.000 0.182 644 N C 1.763 177.052 175.510 -0.369 0.000 1.018 644 N CA 1.387 53.980 53.050 -0.762 0.000 0.876 644 N CB -0.521 37.250 38.487 -1.193 0.000 0.972 644 N HN 0.497 nan 8.380 nan 0.000 0.434 645 A N 1.227 123.828 122.820 -0.366 0.000 1.897 645 A HA -0.106 4.219 4.320 0.007 0.000 0.215 645 A C 1.780 179.267 177.584 -0.162 0.000 1.181 645 A CA 1.293 53.095 52.037 -0.391 0.000 0.620 645 A CB -0.328 18.103 19.000 -0.948 0.000 0.821 645 A HN 0.083 nan 8.150 nan 0.000 0.443 646 D N 0.400 120.770 120.400 -0.050 0.000 2.123 646 D HA -0.129 4.515 4.640 0.007 0.000 0.196 646 D C 2.221 178.518 176.300 -0.004 0.000 0.992 646 D CA 1.608 55.639 54.000 0.051 0.000 0.833 646 D CB -0.411 40.462 40.800 0.122 0.000 0.954 646 D HN 0.430 nan 8.370 nan 0.000 0.455 647 A N 0.718 123.553 122.820 0.025 0.000 1.877 647 A HA -0.133 4.192 4.320 0.007 0.000 0.216 647 A C 2.597 180.264 177.584 0.139 0.000 1.186 647 A CA 1.286 53.392 52.037 0.114 0.000 0.620 647 A CB -0.809 18.347 19.000 0.259 0.000 0.822 647 A HN 0.144 nan 8.150 nan 0.000 0.443 648 V N -0.283 119.708 119.914 0.128 0.000 2.343 648 V HA -0.225 3.899 4.120 0.007 0.000 0.247 648 V C 2.557 178.720 176.094 0.115 0.000 1.051 648 V CA 1.948 64.370 62.300 0.202 0.000 1.036 648 V CB -0.694 31.186 31.823 0.096 0.000 0.654 648 V HN 0.368 nan 8.190 nan 0.000 0.451 649 V N -0.328 119.528 119.914 -0.096 0.000 2.490 649 V HA -0.261 3.863 4.120 0.007 0.000 0.250 649 V C 2.430 178.431 176.094 -0.155 0.000 1.061 649 V CA 1.839 63.981 62.300 -0.263 0.000 1.064 649 V CB -0.700 30.669 31.823 -0.757 0.000 0.670 649 V HN 0.558 nan 8.190 nan 0.000 0.461 650 K N -0.302 120.056 120.400 -0.070 0.000 2.057 650 K HA -0.129 4.195 4.320 0.007 0.000 0.207 650 K C 2.055 178.689 176.600 0.056 0.000 1.049 650 K CA 1.441 57.727 56.287 -0.002 0.000 0.931 650 K CB -0.339 32.182 32.500 0.035 0.000 0.714 650 K HN 0.374 nan 8.250 nan 0.000 0.440 651 V N 1.574 121.561 119.914 0.121 0.000 2.358 651 V HA -0.234 3.890 4.120 0.007 0.000 0.246 651 V C 2.263 178.509 176.094 0.253 0.000 1.047 651 V CA 1.584 63.985 62.300 0.167 0.000 1.035 651 V CB -0.410 31.526 31.823 0.188 0.000 0.658 651 V HN 0.315 nan 8.190 nan 0.000 0.452 652 M N -0.467 119.262 119.600 0.216 0.000 2.108 652 M HA -0.184 4.300 4.480 0.007 0.000 0.261 652 M C 2.033 178.403 176.300 0.117 0.000 1.066 652 M CA 1.980 57.361 55.300 0.135 0.000 1.107 652 M CB -0.463 32.054 32.600 -0.138 0.000 1.356 652 M HN 0.248 nan 8.290 nan 0.000 0.406 653 L N -0.588 120.661 121.223 0.042 0.000 2.552 653 L HA -0.028 4.316 4.340 0.007 0.000 0.227 653 L C 0.706 177.616 176.870 0.068 0.000 1.146 653 L CA -0.173 54.689 54.840 0.036 0.000 0.858 653 L CB -0.505 41.550 42.059 -0.006 0.000 0.969 653 L HN 0.172 nan 8.230 nan 0.000 0.451 654 D N 0.783 121.236 120.400 0.089 0.000 2.371 654 D HA 0.054 4.698 4.640 0.007 0.000 0.256 654 D C -1.636 174.703 176.300 0.065 0.000 1.193 654 D CA -1.852 52.188 54.000 0.066 0.000 0.881 654 D CB 1.759 42.590 40.800 0.053 0.000 1.143 654 D HN -0.097 nan 8.370 nan 0.000 0.473 655 P HA -0.108 nan 4.420 nan 0.000 0.219 655 P C 0.652 177.954 177.300 0.003 0.000 1.146 655 P CA 1.261 64.388 63.100 0.045 0.000 0.808 655 P CB 0.269 31.995 31.700 0.043 0.000 0.779 656 K N -1.162 119.226 120.400 -0.020 0.000 2.459 656 K HA 0.010 4.334 4.320 0.007 0.000 0.193 656 K C 1.379 177.900 176.600 -0.132 0.000 1.030 656 K CA 0.620 56.866 56.287 -0.069 0.000 1.026 656 K CB 0.168 32.636 32.500 -0.054 0.000 0.809 656 K HN 0.208 nan 8.250 nan 0.000 0.504 657 E N -0.498 119.634 120.200 -0.114 0.000 2.357 657 E HA 0.122 4.476 4.350 0.007 0.000 0.190 657 E C 1.062 177.436 176.600 -0.376 0.000 1.022 657 E CA 0.681 56.925 56.400 -0.261 0.000 1.068 657 E CB 0.007 29.641 29.700 -0.110 0.000 1.465 657 E HN 0.116 nan 8.360 nan 0.000 0.503 658 F N 0.460 120.455 119.950 0.075 0.000 2.784 658 F HA 0.250 4.781 4.527 0.007 0.000 0.323 658 F C 1.054 176.937 175.800 0.138 0.000 1.085 658 F CA -0.379 57.715 58.000 0.158 0.000 1.196 658 F CB 0.522 39.672 39.000 0.250 0.000 1.053 658 F HN -0.103 nan 8.300 nan 0.000 0.578 659 N N 1.885 120.729 118.700 0.241 0.000 3.254 659 N HA 0.031 4.775 4.740 0.007 0.000 0.308 659 N C 0.091 175.700 175.510 0.164 0.000 1.281 659 N CA 0.206 53.365 53.050 0.181 0.000 1.212 659 N CB -0.232 38.329 38.487 0.124 0.000 1.478 659 N HN 0.201 nan 8.380 nan 0.000 0.548 660 T N -2.425 112.250 114.554 0.202 0.000 2.810 660 T HA 0.159 4.514 4.350 0.007 0.000 0.277 660 T C 1.456 176.310 174.700 0.258 0.000 0.973 660 T CA -0.690 61.536 62.100 0.210 0.000 0.949 660 T CB 0.331 69.334 68.868 0.224 0.000 1.075 660 T HN 0.130 nan 8.240 nan 0.000 0.537 661 F N 1.097 121.124 119.950 0.127 0.000 2.063 661 F HA -0.058 4.474 4.527 0.007 0.000 0.298 661 F C 0.750 176.689 175.800 0.232 0.000 1.105 661 F CA 1.521 59.609 58.000 0.148 0.000 1.215 661 F CB -0.292 38.713 39.000 0.008 0.000 0.972 661 F HN 0.273 nan 8.300 nan 0.000 0.483 662 V N 3.301 123.323 119.914 0.182 0.000 2.326 662 V HA 0.292 4.416 4.120 0.007 0.000 0.281 662 V C -2.082 174.120 176.094 0.182 0.000 1.015 662 V CA -1.815 60.502 62.300 0.029 0.000 0.823 662 V CB 1.052 32.849 31.823 -0.042 0.000 1.009 662 V HN -0.006 nan 8.190 nan 0.000 0.436 663 P HA 0.240 nan 4.420 nan 0.000 0.273 663 P C 0.166 177.747 177.300 0.468 0.000 1.250 663 P CA -0.034 63.265 63.100 0.332 0.000 0.793 663 P CB 0.819 32.698 31.700 0.297 0.000 1.011 664 L N -2.317 119.200 121.223 0.491 0.000 3.632 664 L HA -0.189 4.155 4.340 0.007 0.000 0.510 664 L C 0.944 178.289 176.870 0.791 0.000 1.299 664 L CA 0.257 55.431 54.840 0.558 0.000 0.829 664 L CB -2.319 39.855 42.059 0.192 0.000 1.559 664 L HN 0.622 nan 8.230 nan 0.000 0.857 665 G N -0.389 108.898 108.800 0.812 0.000 2.621 665 G HA2 0.302 4.266 3.960 0.007 0.000 0.271 665 G HA3 0.302 4.266 3.960 0.007 0.000 0.271 665 G C 0.879 176.233 174.900 0.756 0.000 1.236 665 G CA 0.372 45.889 45.100 0.695 0.000 0.958 665 G HN 0.319 nan 8.290 nan 0.000 0.512 666 T N -1.225 113.694 114.554 0.608 0.000 3.284 666 T HA 0.458 4.812 4.350 0.007 0.000 0.252 666 T C 0.397 175.406 174.700 0.514 0.000 1.144 666 T CA 1.011 63.447 62.100 0.560 0.000 1.021 666 T CB -0.861 68.340 68.868 0.556 0.000 0.984 666 T HN 1.300 nan 8.240 nan 0.000 0.545 667 A N 0.159 123.320 122.820 0.568 0.000 2.560 667 A HA 0.706 5.030 4.320 0.007 0.000 0.300 667 A C -0.196 177.569 177.584 0.300 0.000 1.062 667 A CA -0.435 51.884 52.037 0.470 0.000 0.767 667 A CB 0.313 19.573 19.000 0.433 0.000 1.288 667 A HN 0.502 nan 8.150 nan 0.000 0.396 668 A N 1.395 124.101 122.820 -0.191 0.000 2.466 668 A HA 0.502 4.826 4.320 0.007 0.000 0.238 668 A C 1.183 178.522 177.584 -0.407 0.000 1.074 668 A CA 0.088 51.637 52.037 -0.812 0.000 0.774 668 A CB -0.153 18.256 19.000 -0.985 0.000 1.015 668 A HN 1.307 nan 8.150 nan 0.000 0.498 669 L N 1.091 121.960 121.223 -0.591 0.000 2.187 669 L HA -0.180 4.164 4.340 0.007 0.000 0.213 669 L C 2.645 179.245 176.870 -0.450 0.000 1.100 669 L CA 1.900 56.245 54.840 -0.826 0.000 0.765 669 L CB -0.721 40.978 42.059 -0.601 0.000 0.904 669 L HN 1.002 nan 8.230 nan 0.000 0.437 670 T N -4.047 110.340 114.554 -0.278 0.000 3.113 670 T HA -0.054 4.301 4.350 0.007 0.000 0.256 670 T C 1.006 175.705 174.700 -0.002 0.000 1.131 670 T CA -0.221 61.805 62.100 -0.123 0.000 1.074 670 T CB -0.428 68.372 68.868 -0.112 0.000 0.944 670 T HN 0.158 nan 8.240 nan 0.000 0.516 671 N N 3.150 121.874 118.700 0.041 0.000 2.454 671 N HA 0.060 4.804 4.740 0.007 0.000 0.260 671 N C -1.463 174.192 175.510 0.243 0.000 1.218 671 N CA -1.357 51.804 53.050 0.186 0.000 0.904 671 N CB 1.594 40.236 38.487 0.258 0.000 1.065 671 N HN 0.119 nan 8.380 nan 0.000 0.462 672 P HA -0.027 nan 4.420 nan 0.000 0.230 672 P C 0.094 177.498 177.300 0.174 0.000 1.158 672 P CA 0.731 63.995 63.100 0.274 0.000 0.769 672 P CB 0.288 32.246 31.700 0.430 0.000 0.807 673 A N -1.152 121.788 122.820 0.200 0.000 2.503 673 A HA 0.245 4.569 4.320 0.007 0.000 0.263 673 A C 0.361 178.038 177.584 0.155 0.000 1.258 673 A CA -0.658 51.431 52.037 0.087 0.000 0.936 673 A CB -0.979 18.050 19.000 0.049 0.000 1.070 673 A HN 0.103 nan 8.150 nan 0.000 0.522 674 F N 1.083 121.089 119.950 0.094 0.000 2.602 674 F HA 0.399 4.930 4.527 0.008 0.000 0.367 674 F C 0.642 176.487 175.800 0.075 0.000 1.126 674 F CA 1.047 59.102 58.000 0.092 0.000 1.321 674 F CB 0.586 39.625 39.000 0.065 0.000 1.094 674 F HN 0.140 nan 8.300 nan 0.000 0.594 675 G N 4.194 112.323 108.800 -1.118 0.000 2.413 675 G HA2 0.487 4.451 3.960 0.007 0.000 0.285 675 G HA3 0.487 4.451 3.960 0.007 0.000 0.285 675 G C -0.081 174.266 174.900 -0.922 0.000 1.337 675 G CA -0.203 44.460 45.100 -0.729 0.000 1.324 675 G HN 1.069 nan 8.290 nan 0.000 0.611 676 A N 1.571 123.971 122.820 -0.700 0.000 2.024 676 A HA -0.000 4.324 4.320 0.007 0.000 0.220 676 A C 1.492 178.994 177.584 -0.138 0.000 1.164 676 A CA 1.803 53.682 52.037 -0.264 0.000 0.643 676 A CB 0.035 19.078 19.000 0.072 0.000 0.806 676 A HN 0.488 nan 8.150 nan 0.000 0.451 677 D N -0.737 119.589 120.400 -0.123 0.000 2.368 677 D HA 0.231 4.876 4.640 0.007 0.000 0.218 677 D C -0.110 176.181 176.300 -0.015 0.000 1.112 677 D CA 0.058 54.026 54.000 -0.054 0.000 0.834 677 D CB 0.203 40.984 40.800 -0.031 0.000 0.953 677 D HN 0.418 nan 8.370 nan 0.000 0.505 678 I N 1.323 121.861 120.570 -0.054 0.000 2.325 678 I HA 0.016 4.191 4.170 0.007 0.000 0.291 678 I C 1.354 177.544 176.117 0.122 0.000 1.019 678 I CA -0.762 60.557 61.300 0.032 0.000 1.302 678 I CB 0.987 38.980 38.000 -0.012 0.000 1.401 678 I HN -0.162 nan 8.210 nan 0.000 0.485 679 Y N 5.040 125.296 120.300 -0.074 0.000 2.030 679 Y HA -0.254 4.300 4.550 0.007 0.000 0.272 679 Y C 1.360 177.116 175.900 -0.241 0.000 1.185 679 Y CA 2.115 60.115 58.100 -0.166 0.000 1.120 679 Y CB -0.335 38.022 38.460 -0.171 0.000 0.955 679 Y HN 0.594 nan 8.280 nan 0.000 0.495 680 W N -1.063 120.479 121.300 0.404 0.000 3.067 680 W HA 0.342 5.006 4.660 0.008 0.000 0.417 680 W C 0.890 177.551 176.519 0.236 0.000 1.029 680 W CA -0.100 57.414 57.345 0.282 0.000 1.992 680 W CB 0.330 29.898 29.460 0.180 0.000 1.122 680 W HN -0.267 nan 8.180 nan 0.000 0.681 681 R N -0.113 120.574 120.500 0.311 0.000 2.642 681 R HA 0.324 4.669 4.340 0.007 0.000 0.435 681 R C 0.920 177.257 176.300 0.061 0.000 1.046 681 R CA 0.403 56.637 56.100 0.224 0.000 1.103 681 R CB 0.824 31.219 30.300 0.159 0.000 1.425 681 R HN 0.252 nan 8.270 nan 0.000 0.586 682 G N 0.230 109.105 108.800 0.124 0.000 4.040 682 G HA2 -0.105 3.860 3.960 0.007 0.000 0.192 682 G HA3 -0.105 3.860 3.960 0.007 0.000 0.192 682 G C -0.229 174.784 174.900 0.188 0.000 0.963 682 G CA -0.743 44.386 45.100 0.049 0.000 0.886 682 G HN -0.033 nan 8.290 nan 0.000 0.333 683 R N 1.002 121.558 120.500 0.094 0.000 2.697 683 R HA 0.319 4.663 4.340 0.007 0.000 0.265 683 R C -0.106 176.317 176.300 0.205 0.000 1.009 683 R CA 0.125 56.247 56.100 0.037 0.000 1.099 683 R CB 0.670 30.836 30.300 -0.223 0.000 0.965 683 R HN 0.164 nan 8.270 nan 0.000 0.428 684 V N 3.997 124.019 119.914 0.180 0.000 2.383 684 V HA 0.196 4.321 4.120 0.007 0.000 0.275 684 V C -0.332 175.926 176.094 0.274 0.000 1.036 684 V CA -0.530 61.985 62.300 0.358 0.000 0.889 684 V CB 0.670 32.710 31.823 0.362 0.000 0.985 684 V HN 0.564 nan 8.190 nan 0.000 0.459 685 W N 2.991 124.448 121.300 0.262 0.000 2.551 685 W HA 0.522 5.186 4.660 0.008 0.000 0.330 685 W C 1.039 177.789 176.519 0.385 0.000 1.063 685 W CA -0.695 56.804 57.345 0.258 0.000 1.222 685 W CB 1.356 30.988 29.460 0.286 0.000 1.349 685 W HN 0.331 nan 8.180 nan 0.000 0.536 686 V N 1.763 122.027 119.914 0.584 0.000 2.594 686 V HA -0.276 3.849 4.120 0.007 0.000 0.253 686 V C 1.919 178.145 176.094 0.219 0.000 1.069 686 V CA 2.252 64.808 62.300 0.428 0.000 1.082 686 V CB -0.747 31.339 31.823 0.438 0.000 0.680 686 V HN 0.691 nan 8.190 nan 0.000 0.469 687 D N -0.321 120.150 120.400 0.117 0.000 2.091 687 D HA -0.201 4.444 4.640 0.007 0.000 0.199 687 D C 1.979 177.833 176.300 -0.743 0.000 0.980 687 D CA 1.030 54.477 54.000 -0.922 0.000 0.831 687 D CB -0.498 39.830 40.800 -0.786 0.000 0.987 687 D HN 0.328 nan 8.370 nan 0.000 0.460 688 Q N -0.390 119.481 119.800 0.119 0.000 2.124 688 Q HA -0.096 4.248 4.340 0.007 0.000 0.202 688 Q C 2.132 178.444 176.000 0.519 0.000 0.977 688 Q CA 0.640 56.743 55.803 0.499 0.000 0.850 688 Q CB -0.671 28.483 28.738 0.692 0.000 0.901 688 Q HN 0.427 nan 8.270 nan 0.000 0.429 689 F N -0.333 119.761 119.950 0.241 0.000 2.102 689 F HA -0.218 4.313 4.527 0.008 0.000 0.298 689 F C 2.101 177.854 175.800 -0.079 0.000 1.105 689 F CA 1.502 59.553 58.000 0.084 0.000 1.239 689 F CB -0.524 38.501 39.000 0.041 0.000 0.991 689 F HN 0.145 nan 8.300 nan 0.000 0.474 690 W N 0.159 121.265 121.300 -0.324 0.000 2.363 690 W HA -0.208 4.456 4.660 0.007 0.000 0.296 690 W C 1.885 178.226 176.519 -0.296 0.000 1.212 690 W CA 1.872 58.983 57.345 -0.390 0.000 1.260 690 W CB -0.658 28.684 29.460 -0.196 0.000 1.131 690 W HN 0.048 nan 8.180 nan 0.000 0.530 691 F N 0.688 120.511 119.950 -0.212 0.000 2.161 691 F HA -0.052 4.480 4.527 0.007 0.000 0.300 691 F C 2.596 178.193 175.800 -0.339 0.000 1.089 691 F CA 1.435 59.099 58.000 -0.560 0.000 1.282 691 F CB -1.572 37.163 39.000 -0.442 0.000 1.010 691 F HN -0.002 nan 8.300 nan 0.000 0.485 692 G N -0.021 108.605 108.800 -0.289 0.000 2.421 692 G HA2 -0.208 3.756 3.960 0.007 0.000 0.216 692 G HA3 -0.208 3.756 3.960 0.007 0.000 0.216 692 G C 1.706 176.174 174.900 -0.720 0.000 1.171 692 G CA 0.687 45.219 45.100 -0.946 0.000 0.775 692 G HN 0.217 nan 8.290 nan 0.000 0.543 693 L N 0.550 121.256 121.223 -0.860 0.000 2.042 693 L HA -0.021 4.324 4.340 0.007 0.000 0.210 693 L C 2.809 179.337 176.870 -0.570 0.000 1.076 693 L CA 1.470 55.729 54.840 -0.969 0.000 0.749 693 L CB -0.286 40.829 42.059 -1.573 0.000 0.893 693 L HN 0.047 nan 8.230 nan 0.000 0.432 694 K N -0.641 119.498 120.400 -0.435 0.000 2.057 694 K HA 0.001 4.325 4.320 0.007 0.000 0.206 694 K C 2.115 178.746 176.600 0.053 0.000 1.050 694 K CA 1.244 57.470 56.287 -0.103 0.000 0.935 694 K CB -0.997 31.363 32.500 -0.233 0.000 0.715 694 K HN 0.410 nan 8.250 nan 0.000 0.439 695 G N 1.312 110.154 108.800 0.070 0.000 2.418 695 G HA2 -0.247 3.718 3.960 0.007 0.000 0.217 695 G HA3 -0.247 3.718 3.960 0.007 0.000 0.217 695 G C 1.657 176.661 174.900 0.174 0.000 1.158 695 G CA 0.828 46.033 45.100 0.174 0.000 0.771 695 G HN 0.184 nan 8.290 nan 0.000 0.545 696 M N 0.028 119.634 119.600 0.009 0.000 2.086 696 M HA -0.007 4.477 4.480 0.007 0.000 0.261 696 M C 2.433 178.861 176.300 0.214 0.000 1.067 696 M CA 1.660 57.000 55.300 0.068 0.000 1.116 696 M CB -0.356 32.179 32.600 -0.107 0.000 1.348 696 M HN 0.367 nan 8.290 nan 0.000 0.407 697 E N 0.877 121.159 120.200 0.136 0.000 2.058 697 E HA -0.270 4.084 4.350 0.007 0.000 0.194 697 E C 2.150 178.812 176.600 0.102 0.000 0.997 697 E CA 1.412 57.910 56.400 0.163 0.000 0.801 697 E CB -0.126 29.713 29.700 0.233 0.000 0.746 697 E HN 0.341 nan 8.360 nan 0.000 0.450 698 R N -0.605 119.935 120.500 0.067 0.000 2.139 698 R HA -0.181 4.164 4.340 0.007 0.000 0.243 698 R C 0.802 176.940 176.300 -0.271 0.000 1.145 698 R CA 1.581 57.614 56.100 -0.111 0.000 0.976 698 R CB -0.181 30.015 30.300 -0.174 0.000 0.866 698 R HN 0.305 nan 8.270 nan 0.000 0.449 699 Y N -0.593 119.760 120.300 0.088 0.000 2.683 699 Y HA 0.279 4.834 4.550 0.007 0.000 0.297 699 Y C 1.077 177.001 175.900 0.041 0.000 1.147 699 Y CA 0.333 58.494 58.100 0.102 0.000 1.274 699 Y CB 0.969 39.532 38.460 0.171 0.000 1.143 699 Y HN 0.360 nan 8.280 nan 0.000 0.527 700 G N -0.716 108.102 108.800 0.031 0.000 2.132 700 G HA2 -0.346 3.618 3.960 0.007 0.000 0.234 700 G HA3 -0.346 3.618 3.960 0.007 0.000 0.234 700 G C -0.105 174.619 174.900 -0.294 0.000 0.989 700 G CA -0.076 44.929 45.100 -0.159 0.000 0.676 700 G HN 0.503 nan 8.290 nan 0.000 0.522 701 Y N -0.472 119.860 120.300 0.053 0.000 2.734 701 Y HA 0.385 4.940 4.550 0.007 0.000 0.278 701 Y C 1.955 177.873 175.900 0.029 0.000 1.108 701 Y CA -0.020 58.100 58.100 0.033 0.000 1.211 701 Y CB 0.307 38.778 38.460 0.019 0.000 1.182 701 Y HN 0.264 nan 8.280 nan 0.000 0.547 702 R N 0.646 121.233 120.500 0.146 0.000 2.105 702 R HA -0.182 4.163 4.340 0.007 0.000 0.239 702 R C 1.253 177.639 176.300 0.144 0.000 1.135 702 R CA 2.133 58.334 56.100 0.169 0.000 0.967 702 R CB 0.008 30.390 30.300 0.136 0.000 0.861 702 R HN 0.363 nan 8.270 nan 0.000 0.442 703 D N 0.677 121.140 120.400 0.104 0.000 2.106 703 D HA -0.188 4.456 4.640 0.007 0.000 0.191 703 D C 1.381 177.735 176.300 0.090 0.000 0.997 703 D CA 1.484 55.537 54.000 0.089 0.000 0.834 703 D CB -0.304 40.536 40.800 0.067 0.000 0.956 703 D HN 0.339 nan 8.370 nan 0.000 0.448 704 D N 0.332 120.796 120.400 0.105 0.000 2.178 704 D HA -0.063 4.582 4.640 0.007 0.000 0.202 704 D C 1.973 178.273 176.300 0.001 0.000 0.974 704 D CA 0.692 54.733 54.000 0.069 0.000 0.841 704 D CB 0.018 40.874 40.800 0.093 0.000 0.953 704 D HN 0.113 nan 8.370 nan 0.000 0.478 705 A N 0.860 123.666 122.820 -0.023 0.000 1.898 705 A HA -0.096 4.229 4.320 0.007 0.000 0.216 705 A C 2.367 179.869 177.584 -0.136 0.000 1.181 705 A CA 0.698 52.611 52.037 -0.206 0.000 0.620 705 A CB -0.694 18.144 19.000 -0.270 0.000 0.819 705 A HN 0.169 nan 8.150 nan 0.000 0.442 706 L N -0.607 120.661 121.223 0.076 0.000 2.083 706 L HA -0.207 4.137 4.340 0.007 0.000 0.209 706 L C 2.551 179.496 176.870 0.124 0.000 1.083 706 L CA 1.573 56.516 54.840 0.171 0.000 0.752 706 L CB -0.354 41.813 42.059 0.179 0.000 0.899 706 L HN 0.378 nan 8.230 nan 0.000 0.433 707 K N 0.064 120.511 120.400 0.078 0.000 2.026 707 K HA -0.148 4.176 4.320 0.007 0.000 0.208 707 K C 2.077 178.726 176.600 0.082 0.000 1.048 707 K CA 1.158 57.487 56.287 0.070 0.000 0.929 707 K CB -0.263 32.267 32.500 0.051 0.000 0.713 707 K HN 0.231 nan 8.250 nan 0.000 0.439 708 L N 0.771 122.031 121.223 0.062 0.000 2.046 708 L HA -0.203 4.141 4.340 0.007 0.000 0.208 708 L C 2.669 179.720 176.870 0.302 0.000 1.077 708 L CA 1.116 56.032 54.840 0.127 0.000 0.747 708 L CB -0.713 41.362 42.059 0.027 0.000 0.896 708 L HN 0.238 nan 8.230 nan 0.000 0.432 709 A N 0.307 123.287 122.820 0.268 0.000 1.883 709 A HA -0.318 4.006 4.320 0.007 0.000 0.217 709 A C 1.972 179.875 177.584 0.532 0.000 1.186 709 A CA 2.249 54.589 52.037 0.505 0.000 0.624 709 A CB -0.751 18.505 19.000 0.427 0.000 0.822 709 A HN 0.486 nan 8.150 nan 0.000 0.444 710 D N -1.093 119.492 120.400 0.308 0.000 2.123 710 D HA -0.131 4.513 4.640 0.007 0.000 0.196 710 D C 1.900 178.258 176.300 0.097 0.000 0.992 710 D CA 2.095 56.209 54.000 0.190 0.000 0.833 710 D CB -0.225 40.633 40.800 0.097 0.000 0.954 710 D HN 0.362 nan 8.370 nan 0.000 0.455 711 T N -0.560 114.013 114.554 0.031 0.000 2.684 711 T HA -0.162 4.193 4.350 0.007 0.000 0.267 711 T C 1.599 176.156 174.700 -0.238 0.000 1.036 711 T CA 1.228 63.199 62.100 -0.215 0.000 1.148 711 T CB -0.675 68.116 68.868 -0.128 0.000 0.863 711 T HN 0.260 nan 8.240 nan 0.000 0.436 712 F N 1.007 120.890 119.950 -0.113 0.000 2.095 712 F HA -0.086 4.445 4.527 0.007 0.000 0.298 712 F C 1.929 177.619 175.800 -0.184 0.000 1.104 712 F CA 1.104 58.972 58.000 -0.221 0.000 1.232 712 F CB -0.505 38.368 39.000 -0.212 0.000 0.987 712 F HN 0.109 nan 8.300 nan 0.000 0.475 713 F N 1.229 121.186 119.950 0.012 0.000 2.161 713 F HA -0.164 4.368 4.527 0.008 0.000 0.300 713 F C 2.425 178.058 175.800 -0.279 0.000 1.089 713 F CA 1.803 59.667 58.000 -0.226 0.000 1.282 713 F CB -0.350 38.430 39.000 -0.366 0.000 1.010 713 F HN -0.125 nan 8.300 nan 0.000 0.485 714 R N -1.799 118.587 120.500 -0.189 0.000 2.200 714 R HA 0.016 4.361 4.340 0.007 0.000 0.208 714 R C 1.469 177.680 176.300 -0.148 0.000 1.033 714 R CA 1.126 57.116 56.100 -0.184 0.000 1.000 714 R CB -0.284 29.925 30.300 -0.151 0.000 0.906 714 R HN 0.487 nan 8.270 nan 0.000 0.462 715 H N -0.854 117.920 119.070 -0.493 0.000 2.750 715 H HA 0.301 4.861 4.556 0.007 0.000 0.263 715 H C 0.160 175.147 175.328 -0.569 0.000 0.964 715 H CA -0.421 55.232 56.048 -0.658 0.000 1.205 715 H CB 0.774 29.780 29.762 -1.260 0.000 1.454 715 H HN 0.047 nan 8.280 nan 0.000 0.503 716 A N 2.573 124.966 122.820 -0.711 0.000 2.444 716 A HA 0.084 4.408 4.320 0.007 0.000 0.273 716 A C 0.122 177.466 177.584 -0.401 0.000 1.136 716 A CA -0.364 51.118 52.037 -0.925 0.000 0.799 716 A CB 0.057 17.944 19.000 -1.856 0.000 1.081 716 A HN 0.105 nan 8.150 nan 0.000 0.509 717 K N 1.591 121.928 120.400 -0.106 0.000 2.448 717 K HA 0.257 4.582 4.320 0.007 0.000 0.278 717 K C 1.370 177.967 176.600 -0.004 0.000 1.009 717 K CA 1.088 57.362 56.287 -0.022 0.000 0.995 717 K CB 0.381 32.901 32.500 0.034 0.000 0.917 717 K HN 1.535 nan 8.250 nan 0.000 0.481 718 G N 1.607 110.381 108.800 -0.044 0.000 2.184 718 G HA2 -0.312 3.652 3.960 0.007 0.000 0.264 718 G HA3 -0.312 3.652 3.960 0.007 0.000 0.264 718 G C 0.839 175.713 174.900 -0.044 0.000 0.975 718 G CA 0.436 45.518 45.100 -0.030 0.000 0.642 718 G HN 0.524 nan 8.290 nan 0.000 0.536 719 L N 1.578 122.730 121.223 -0.118 0.000 2.013 719 L HA 0.006 4.350 4.340 0.007 0.000 0.212 719 L C 3.001 179.790 176.870 -0.135 0.000 1.073 719 L CA 3.513 58.258 54.840 -0.159 0.000 0.753 719 L CB -0.684 41.117 42.059 -0.430 0.000 0.890 719 L HN 0.702 nan 8.230 nan 0.000 0.432 720 T N -3.465 110.986 114.554 -0.170 0.000 3.107 720 T HA 0.481 4.835 4.350 0.007 0.000 0.249 720 T C 0.782 175.478 174.700 -0.007 0.000 1.096 720 T CA 0.170 62.230 62.100 -0.067 0.000 1.012 720 T CB -0.309 68.518 68.868 -0.069 0.000 0.977 720 T HN 0.339 nan 8.240 nan 0.000 0.527 721 A N 2.497 125.311 122.820 -0.011 0.000 2.301 721 A HA 0.539 4.863 4.320 0.007 0.000 0.287 721 A C 0.798 178.404 177.584 0.038 0.000 1.274 721 A CA -0.142 51.904 52.037 0.014 0.000 0.865 721 A CB 0.332 19.335 19.000 0.006 0.000 1.324 721 A HN 0.433 nan 8.150 nan 0.000 0.508 722 D N -0.926 119.502 120.400 0.047 0.000 2.525 722 D HA 0.281 4.925 4.640 0.007 0.000 0.229 722 D C 0.508 176.850 176.300 0.070 0.000 1.202 722 D CA 0.315 54.353 54.000 0.065 0.000 0.828 722 D CB -0.571 40.272 40.800 0.070 0.000 1.008 722 D HN 0.552 nan 8.370 nan 0.000 0.493 723 G N 1.221 110.055 108.800 0.057 0.000 2.507 723 G HA2 0.464 4.428 3.960 0.007 0.000 0.271 723 G HA3 0.464 4.428 3.960 0.007 0.000 0.271 723 G C -2.327 172.613 174.900 0.067 0.000 1.189 723 G CA -1.178 43.956 45.100 0.057 0.000 0.859 723 G HN 0.043 nan 8.290 nan 0.000 0.542 724 P HA 0.188 nan 4.420 nan 0.000 0.272 724 P C -0.053 177.283 177.300 0.060 0.000 1.230 724 P CA -0.224 62.924 63.100 0.081 0.000 0.788 724 P CB 1.243 32.995 31.700 0.087 0.000 0.949 725 I N 1.658 122.280 120.570 0.085 0.000 2.556 725 I HA 0.039 4.213 4.170 0.007 0.000 0.284 725 I C 1.338 177.481 176.117 0.044 0.000 1.114 725 I CA 0.301 61.655 61.300 0.089 0.000 1.418 725 I CB 0.052 38.141 38.000 0.148 0.000 1.394 725 I HN 0.319 nan 8.210 nan 0.000 0.552 726 Q N 4.285 124.044 119.800 -0.067 0.000 2.633 726 Q HA 0.300 4.644 4.340 0.007 0.000 0.208 726 Q C 0.447 176.233 176.000 -0.357 0.000 1.010 726 Q CA -0.756 54.911 55.803 -0.227 0.000 0.982 726 Q CB 1.145 29.691 28.738 -0.320 0.000 1.334 726 Q HN 0.521 nan 8.270 nan 0.000 0.508 727 E N -0.017 119.741 120.200 -0.737 0.000 2.102 727 E HA -0.039 4.315 4.350 0.007 0.000 0.190 727 E C -0.213 175.603 176.600 -1.307 0.000 0.971 727 E CA 0.704 56.437 56.400 -1.112 0.000 0.821 727 E CB 0.305 29.065 29.700 -1.567 0.000 0.777 727 E HN 0.478 nan 8.360 nan 0.000 0.460 728 N N -1.359 116.544 118.700 -1.329 0.000 3.039 728 N HA 0.260 5.004 4.740 0.007 0.000 0.257 728 N C -1.622 173.274 175.510 -1.023 0.000 1.497 728 N CA -0.752 51.517 53.050 -1.302 0.000 0.861 728 N CB 0.586 37.936 38.487 -1.896 0.000 1.479 728 N HN -0.150 nan 8.380 nan 0.000 0.547 729 Y N -1.367 118.698 120.300 -0.392 0.000 2.512 729 Y HA 0.454 5.008 4.550 0.008 0.000 0.348 729 Y C -0.153 175.670 175.900 -0.129 0.000 0.990 729 Y CA -1.108 56.867 58.100 -0.208 0.000 1.033 729 Y CB 1.634 40.023 38.460 -0.120 0.000 1.259 729 Y HN 0.584 nan 8.280 nan 0.000 0.461 730 N N 4.569 123.322 118.700 0.088 0.000 2.442 730 N HA 0.076 4.820 4.740 0.007 0.000 0.265 730 N C -1.853 173.761 175.510 0.175 0.000 1.138 730 N CA -1.640 51.457 53.050 0.079 0.000 0.956 730 N CB 1.397 39.907 38.487 0.038 0.000 1.067 730 N HN 0.382 nan 8.380 nan 0.000 0.474 731 P HA -0.098 nan 4.420 nan 0.000 0.222 731 P C 1.267 178.746 177.300 0.299 0.000 1.147 731 P CA 0.991 64.262 63.100 0.286 0.000 0.790 731 P CB 0.518 32.433 31.700 0.359 0.000 0.780 732 L N -0.514 120.842 121.223 0.221 0.000 2.253 732 L HA 0.031 4.376 4.340 0.007 0.000 0.205 732 L C 2.591 179.395 176.870 -0.109 0.000 1.078 732 L CA 1.971 56.878 54.840 0.112 0.000 0.805 732 L CB -1.124 40.984 42.059 0.081 0.000 0.963 732 L HN 0.098 nan 8.230 nan 0.000 0.459 733 T N -4.823 109.689 114.554 -0.070 0.000 2.990 733 T HA 0.259 4.614 4.350 0.007 0.000 0.249 733 T C 1.473 176.183 174.700 0.017 0.000 1.039 733 T CA 0.619 62.576 62.100 -0.239 0.000 1.036 733 T CB 0.928 69.708 68.868 -0.146 0.000 0.994 733 T HN 0.374 nan 8.240 nan 0.000 0.489 734 G N 1.665 110.597 108.800 0.220 0.000 2.176 734 G HA2 -0.040 3.924 3.960 0.007 0.000 0.253 734 G HA3 -0.040 3.924 3.960 0.007 0.000 0.253 734 G C 0.358 175.369 174.900 0.185 0.000 0.979 734 G CA -0.013 45.233 45.100 0.243 0.000 0.641 734 G HN 1.238 nan 8.290 nan 0.000 0.530 735 A N 0.058 122.931 122.820 0.089 0.000 2.498 735 A HA 0.571 4.895 4.320 0.007 0.000 0.239 735 A C 0.646 178.215 177.584 -0.025 0.000 1.068 735 A CA 0.522 52.573 52.037 0.023 0.000 0.766 735 A CB 0.262 19.245 19.000 -0.028 0.000 1.003 735 A HN 0.557 nan 8.150 nan 0.000 0.497 736 Q N 0.722 120.461 119.800 -0.102 0.000 2.227 736 Q HA 0.485 4.829 4.340 0.007 0.000 0.245 736 Q C -0.595 175.243 176.000 -0.269 0.000 0.926 736 Q CA -0.203 55.425 55.803 -0.291 0.000 0.895 736 Q CB 1.297 29.864 28.738 -0.285 0.000 1.230 736 Q HN 0.805 nan 8.270 nan 0.000 0.450 737 Q N -0.397 119.170 119.800 -0.389 0.000 2.482 737 Q HA 0.637 4.981 4.340 0.007 0.000 0.286 737 Q C -0.790 174.961 176.000 -0.414 0.000 1.007 737 Q CA -0.552 55.075 55.803 -0.294 0.000 0.801 737 Q CB 2.617 31.222 28.738 -0.221 0.000 1.455 737 Q HN 0.900 nan 8.270 nan 0.000 0.398 738 G N 0.181 108.838 108.800 -0.240 0.000 2.541 738 G HA2 0.188 4.153 3.960 0.007 0.000 0.686 738 G HA3 0.188 4.153 3.960 0.007 0.000 0.686 738 G C -0.980 173.745 174.900 -0.292 0.000 1.286 738 G CA -0.560 44.357 45.100 -0.306 0.000 0.894 738 G HN 0.790 nan 8.290 nan 0.000 0.575 739 A N 1.703 124.256 122.820 -0.446 0.000 2.511 739 A HA 0.636 4.960 4.320 0.007 0.000 0.242 739 A C -1.139 176.245 177.584 -0.335 0.000 1.069 739 A CA 0.043 51.654 52.037 -0.711 0.000 0.763 739 A CB -0.112 18.520 19.000 -0.614 0.000 1.001 739 A HN 0.789 nan 8.150 nan 0.000 0.498 740 P HA 0.131 nan 4.420 nan 0.000 0.275 740 P C -0.568 176.752 177.300 0.033 0.000 1.228 740 P CA -0.120 62.950 63.100 -0.051 0.000 0.786 740 P CB 0.191 31.893 31.700 0.003 0.000 0.927 741 N N -1.233 117.520 118.700 0.088 0.000 2.746 741 N HA -0.237 4.507 4.740 0.007 0.000 0.250 741 N C -0.866 174.747 175.510 0.172 0.000 1.055 741 N CA 0.115 53.240 53.050 0.126 0.000 0.699 741 N CB -2.040 36.519 38.487 0.118 0.000 0.919 741 N HN 0.380 nan 8.380 nan 0.000 0.548 742 F N 1.080 121.021 119.950 -0.016 0.000 2.438 742 F HA 0.323 4.855 4.527 0.008 0.000 0.360 742 F C 1.521 177.349 175.800 0.046 0.000 1.118 742 F CA -0.537 57.446 58.000 -0.029 0.000 1.164 742 F CB 0.675 39.617 39.000 -0.097 0.000 1.131 742 F HN 0.086 nan 8.300 nan 0.000 0.527 743 S N 5.819 121.364 115.700 -0.258 0.000 2.365 743 S HA -0.251 4.224 4.470 0.007 0.000 0.225 743 S C 1.891 176.377 174.600 -0.191 0.000 1.039 743 S CA 1.523 59.605 58.200 -0.198 0.000 1.033 743 S CB -0.661 62.421 63.200 -0.197 0.000 0.887 743 S HN 0.915 nan 8.310 nan 0.000 0.447 744 W N 2.630 123.468 121.300 -0.770 0.000 2.302 744 W HA -0.191 4.474 4.660 0.009 0.000 0.320 744 W C 2.230 178.727 176.519 -0.037 0.000 1.241 744 W CA 1.855 58.917 57.345 -0.471 0.000 1.264 744 W CB -1.205 27.789 29.460 -0.777 0.000 1.154 744 W HN 0.279 nan 8.180 nan 0.000 0.483 745 S N 0.612 116.577 115.700 0.441 0.000 2.371 745 S HA -0.051 4.423 4.470 0.007 0.000 0.224 745 S C 2.171 176.973 174.600 0.337 0.000 1.029 745 S CA 1.550 60.048 58.200 0.497 0.000 0.978 745 S CB -0.843 62.611 63.200 0.424 0.000 0.833 745 S HN 0.356 nan 8.310 nan 0.000 0.466 746 A N 1.785 124.740 122.820 0.224 0.000 1.908 746 A HA 0.007 4.331 4.320 0.007 0.000 0.218 746 A C 2.351 180.033 177.584 0.163 0.000 1.181 746 A CA 1.830 53.976 52.037 0.182 0.000 0.627 746 A CB -1.141 17.933 19.000 0.123 0.000 0.818 746 A HN 0.515 nan 8.150 nan 0.000 0.445 747 A N -1.174 121.693 122.820 0.078 0.000 1.883 747 A HA -0.219 4.106 4.320 0.007 0.000 0.217 747 A C 2.043 179.551 177.584 -0.128 0.000 1.186 747 A CA 1.648 53.660 52.037 -0.042 0.000 0.624 747 A CB -0.906 17.964 19.000 -0.218 0.000 0.822 747 A HN 0.682 nan 8.150 nan 0.000 0.444 748 H N -0.884 118.186 119.070 -0.001 0.000 2.535 748 H HA 0.149 4.709 4.556 0.007 0.000 0.273 748 H C 1.925 177.231 175.328 -0.036 0.000 0.983 748 H CA 0.882 56.828 56.048 -0.170 0.000 1.238 748 H CB -0.018 29.666 29.762 -0.130 0.000 1.412 748 H HN 0.396 nan 8.280 nan 0.000 0.562 749 L N -0.259 121.099 121.223 0.225 0.000 2.109 749 L HA -0.179 4.165 4.340 0.007 0.000 0.207 749 L C 2.456 179.458 176.870 0.220 0.000 1.086 749 L CA 0.817 55.828 54.840 0.284 0.000 0.760 749 L CB -0.407 41.877 42.059 0.375 0.000 0.910 749 L HN 0.188 nan 8.230 nan 0.000 0.437 750 Y N 0.437 120.799 120.300 0.104 0.000 2.200 750 Y HA -0.248 4.306 4.550 0.007 0.000 0.290 750 Y C 2.516 178.476 175.900 0.099 0.000 1.137 750 Y CA 1.554 59.719 58.100 0.108 0.000 1.163 750 Y CB -0.121 38.383 38.460 0.073 0.000 0.988 750 Y HN 0.037 nan 8.280 nan 0.000 0.518 751 M N -0.533 119.000 119.600 -0.111 0.000 2.117 751 M HA -0.218 4.266 4.480 0.007 0.000 0.262 751 M C 2.140 178.383 176.300 -0.094 0.000 1.065 751 M CA 1.667 56.839 55.300 -0.214 0.000 1.114 751 M CB -0.395 31.823 32.600 -0.637 0.000 1.361 751 M HN 0.313 nan 8.290 nan 0.000 0.408 752 L N -1.244 119.916 121.223 -0.106 0.000 2.046 752 L HA -0.242 4.102 4.340 0.007 0.000 0.208 752 L C 2.607 179.128 176.870 -0.581 0.000 1.077 752 L CA 1.452 56.137 54.840 -0.259 0.000 0.747 752 L CB -0.880 40.808 42.059 -0.619 0.000 0.896 752 L HN 0.311 nan 8.230 nan 0.000 0.432 753 Y N 0.696 120.705 120.300 -0.486 0.000 2.165 753 Y HA -0.303 4.251 4.550 0.007 0.000 0.286 753 Y C 2.304 178.084 175.900 -0.201 0.000 1.155 753 Y CA 2.169 60.201 58.100 -0.114 0.000 1.164 753 Y CB -0.481 37.981 38.460 0.002 0.000 0.978 753 Y HN 0.222 nan 8.280 nan 0.000 0.513 754 N N -0.891 117.482 118.700 -0.545 0.000 2.250 754 N HA -0.151 4.593 4.740 0.007 0.000 0.181 754 N C 0.775 176.026 175.510 -0.430 0.000 1.017 754 N CA 1.251 53.939 53.050 -0.602 0.000 0.866 754 N CB 0.056 38.227 38.487 -0.527 0.000 0.985 754 N HN 0.394 nan 8.380 nan 0.000 0.429 755 D N -1.189 118.995 120.400 -0.359 0.000 2.380 755 D HA 0.045 4.689 4.640 0.007 0.000 0.212 755 D C 0.499 176.262 176.300 -0.895 0.000 1.021 755 D CA 0.614 54.263 54.000 -0.585 0.000 0.884 755 D CB 0.177 40.614 40.800 -0.605 0.000 1.001 755 D HN 0.312 nan 8.370 nan 0.000 0.506 756 F N -0.734 119.149 119.950 -0.113 0.000 2.815 756 F HA 0.221 4.752 4.527 0.007 0.000 0.328 756 F C 0.391 176.235 175.800 0.073 0.000 0.982 756 F CA -0.602 57.368 58.000 -0.049 0.000 1.154 756 F CB 0.272 39.242 39.000 -0.049 0.000 0.980 756 F HN -0.291 nan 8.300 nan 0.000 0.603 757 F N 3.324 123.350 119.950 0.126 0.000 2.506 757 F HA 0.461 4.992 4.527 0.007 0.000 0.351 757 F C 0.686 176.433 175.800 -0.087 0.000 1.136 757 F CA -0.906 57.100 58.000 0.011 0.000 1.298 757 F CB 0.140 39.130 39.000 -0.016 0.000 1.145 757 F HN 0.042 nan 8.300 nan 0.000 0.593 758 R N 1.175 121.726 120.500 0.086 0.000 2.753 758 R HA 0.343 4.687 4.340 0.007 0.000 0.272 758 R C -1.300 174.970 176.300 -0.050 0.000 1.034 758 R CA -1.168 54.931 56.100 -0.001 0.000 0.869 758 R CB 1.478 31.790 30.300 0.020 0.000 1.264 758 R HN 0.565 nan 8.270 nan 0.000 0.481 759 K N 0.000 120.376 120.400 -0.040 0.000 2.780 759 K HA 0.000 4.324 4.320 0.007 0.000 0.191 759 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 759 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543