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 3lfi_1_A DATA FIRST_RESID 20 DATA SEQUENCE SYHLDTTAPP PTNLSTLPNN TLFHLWRPRA HILPAEGQIG DPCAHYTDPS DATA SEQUENCE TGLFHVGFLH DGDGIAGATT ANLATYTDTS DNGSFLIQPG GKNDPVAVFD DATA SEQUENCE GAVIPVGVNN TPTLLYTSVS FLPIHWSIPY TRGSETQSLA VARDGGRRFD DATA SEQUENCE KLDQGPVIAD HPFAVDVTAF RDPFVFRSAR LDVLLSLDEE VARNETAVQQ DATA SEQUENCE AVDGWTEKNA PWYVAVSGGV HGVGPAQFLY RQNGGNASEF QYWEYLGEWW DATA SEQUENCE QEATNSSWGD EGTWAGRWGF NFETGNVLFL TEEGHDPQTG EVFVTLGTEG DATA SEQUENCE SGLPIVPQVS SIHDMLWAAG EVGVGSEQEG AKVEFSPSMA GFLDWGFSAY DATA SEQUENCE AAAGKVLPAS SAVSKTSGVE VDRYVSFVWL TGDQYEQADG FPTAQQGWTG DATA SEQUENCE SLLLPRELKV QTVENVVDNE LVREEGVSWV VGESDNQTAT LRTLGITIAR DATA SEQUENCE ETKAALLANG SVTAEEDRTL QTAAVVPFAQ SPSSKFFVLT AQLEFPASAR DATA SEQUENCE SSPLQSGFEI LASELERTAI YYQFSNESLV VDRSQTSAAA PTNPGLDSFT DATA SEQUENCE ESGKLRLFDV IENGQEQVET LDLTVVVDNA VVEVYANGRF ALSTWARSWY DATA SEQUENCE DNSTQIRFFH NGEGEVQFRN VSVSEGLYNA WPER 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.725 174.600 0.208 0.000 1.055 20 S CA 0.000 58.268 58.200 0.113 0.000 1.107 20 S CB 0.000 63.249 63.200 0.082 0.000 0.593 21 Y N 3.236 123.564 120.300 0.046 0.000 2.333 21 Y HA 0.354 4.904 4.550 0.000 0.000 0.319 21 Y C -1.199 174.754 175.900 0.087 0.000 1.200 21 Y CA -0.690 57.451 58.100 0.068 0.000 1.084 21 Y CB 0.877 39.366 38.460 0.049 0.000 1.268 21 Y HN 0.902 nan 8.280 nan 0.000 0.422 22 H N 7.573 126.404 119.070 -0.399 0.000 2.944 22 H HA 0.209 4.765 4.556 0.000 0.000 0.278 22 H C -0.717 174.087 175.328 -0.873 0.000 1.083 22 H CA -0.306 55.471 56.048 -0.452 0.000 1.479 22 H CB 0.998 30.644 29.762 -0.193 0.000 1.486 22 H HN 0.858 nan 8.280 nan 0.000 0.493 23 L N 6.326 126.868 121.223 -1.135 0.000 2.737 23 L HA -0.054 4.286 4.340 0.000 0.000 0.275 23 L C -0.145 176.303 176.870 -0.703 0.000 1.179 23 L CA 0.762 55.071 54.840 -0.885 0.000 0.970 23 L CB -0.139 41.605 42.059 -0.525 0.000 1.268 23 L HN 0.637 nan 8.230 nan 0.000 0.485 24 D N 3.088 123.339 120.400 -0.248 0.000 2.464 24 D HA 0.165 4.805 4.640 0.000 0.000 0.243 24 D C 0.602 176.956 176.300 0.090 0.000 1.104 24 D CA -0.092 53.922 54.000 0.023 0.000 0.883 24 D CB 1.069 42.022 40.800 0.255 0.000 1.050 24 D HN 0.648 nan 8.370 nan 0.000 0.524 25 T N -0.287 114.186 114.554 -0.136 0.000 3.380 25 T HA 0.001 4.351 4.350 0.000 0.000 0.250 25 T C 1.320 176.008 174.700 -0.021 0.000 1.082 25 T CA 0.342 62.247 62.100 -0.325 0.000 0.968 25 T CB -0.354 68.133 68.868 -0.635 0.000 1.027 25 T HN 0.340 nan 8.240 nan 0.000 0.575 26 T N -2.382 112.273 114.554 0.169 0.000 3.044 26 T HA 0.655 5.005 4.350 0.000 0.000 0.260 26 T C 0.642 175.591 174.700 0.414 0.000 1.019 26 T CA -0.051 62.224 62.100 0.292 0.000 0.921 26 T CB 0.217 69.195 68.868 0.183 0.000 1.053 26 T HN 0.497 nan 8.240 nan 0.000 0.533 27 A N 1.847 124.908 122.820 0.402 0.000 2.350 27 A HA 0.843 5.163 4.320 0.000 0.000 0.318 27 A C -2.928 174.898 177.584 0.403 0.000 1.132 27 A CA -2.319 49.954 52.037 0.394 0.000 0.811 27 A CB 0.732 19.911 19.000 0.298 0.000 1.313 27 A HN 0.149 nan 8.150 nan 0.000 0.454 28 P HA 0.152 nan 4.420 nan 0.000 0.267 28 P C -2.382 174.783 177.300 -0.225 0.000 1.200 28 P CA -0.383 62.747 63.100 0.050 0.000 0.772 28 P CB -0.019 31.713 31.700 0.053 0.000 0.855 29 P HA 0.196 nan 4.420 nan 0.000 0.274 29 P C -2.427 174.497 177.300 -0.627 0.000 1.237 29 P CA -1.523 60.852 63.100 -1.208 0.000 0.793 29 P CB -0.506 29.916 31.700 -2.131 0.000 0.977 30 P HA 0.010 nan 4.420 nan 0.000 0.272 30 P C 1.206 178.315 177.300 -0.318 0.000 1.230 30 P CA 0.004 62.869 63.100 -0.392 0.000 0.788 30 P CB 0.254 31.724 31.700 -0.384 0.000 0.949 31 T N -1.247 113.167 114.554 -0.233 0.000 2.652 31 T HA -0.185 4.165 4.350 0.000 0.000 0.267 31 T C 0.890 175.491 174.700 -0.165 0.000 1.039 31 T CA 1.194 63.185 62.100 -0.183 0.000 1.153 31 T CB -0.708 68.080 68.868 -0.133 0.000 0.863 31 T HN 0.442 nan 8.240 nan 0.000 0.428 32 N N 0.710 119.324 118.700 -0.144 0.000 2.564 32 N HA 0.352 5.092 4.740 0.000 0.000 0.248 32 N C 0.617 176.061 175.510 -0.110 0.000 0.986 32 N CA -0.548 52.431 53.050 -0.117 0.000 0.921 32 N CB 0.605 39.040 38.487 -0.087 0.000 1.136 32 N HN 0.256 nan 8.380 nan 0.000 0.509 33 L N 1.203 122.354 121.223 -0.121 0.000 2.187 33 L HA -0.114 4.226 4.340 0.000 0.000 0.213 33 L C 1.590 178.420 176.870 -0.067 0.000 1.100 33 L CA 0.852 55.640 54.840 -0.087 0.000 0.765 33 L CB -0.176 41.824 42.059 -0.098 0.000 0.904 33 L HN 0.465 nan 8.230 nan 0.000 0.437 34 S N -1.050 114.602 115.700 -0.080 0.000 2.515 34 S HA -0.090 4.380 4.470 0.000 0.000 0.231 34 S C 1.864 176.446 174.600 -0.030 0.000 0.987 34 S CA 1.316 59.480 58.200 -0.060 0.000 0.936 34 S CB -0.259 62.904 63.200 -0.060 0.000 0.766 34 S HN 0.622 nan 8.310 nan 0.000 0.528 35 T N -0.515 114.022 114.554 -0.028 0.000 3.129 35 T HA 0.264 4.614 4.350 0.000 0.000 0.251 35 T C 0.396 175.106 174.700 0.017 0.000 1.117 35 T CA -0.151 61.942 62.100 -0.011 0.000 1.034 35 T CB -0.248 68.606 68.868 -0.023 0.000 0.968 35 T HN -0.044 nan 8.240 nan 0.000 0.526 36 L N 2.040 123.281 121.223 0.030 0.000 2.439 36 L HA 0.509 4.849 4.340 0.000 0.000 0.261 36 L C -2.101 174.797 176.870 0.047 0.000 1.153 36 L CA -2.283 52.599 54.840 0.071 0.000 0.808 36 L CB 0.313 42.433 42.059 0.103 0.000 1.126 36 L HN -0.019 nan 8.230 nan 0.000 0.460 37 P HA 0.101 nan 4.420 nan 0.000 0.272 37 P C -0.967 176.352 177.300 0.031 0.000 1.240 37 P CA -0.447 62.675 63.100 0.036 0.000 0.791 37 P CB 0.348 32.069 31.700 0.033 0.000 0.978 38 N N 1.415 120.134 118.700 0.031 0.000 2.492 38 N HA 0.010 4.750 4.740 0.000 0.000 0.260 38 N C 0.487 176.027 175.510 0.051 0.000 1.215 38 N CA 0.448 53.523 53.050 0.042 0.000 0.923 38 N CB -0.833 37.679 38.487 0.042 0.000 1.092 38 N HN 0.465 nan 8.380 nan 0.000 0.448 39 N N -2.082 116.671 118.700 0.088 0.000 2.900 39 N HA -0.263 4.477 4.740 0.000 0.000 0.240 39 N C 0.610 176.182 175.510 0.102 0.000 0.953 39 N CA 1.187 54.319 53.050 0.136 0.000 0.950 39 N CB -1.189 37.337 38.487 0.064 0.000 1.102 39 N HN 0.740 nan 8.380 nan 0.000 0.593 40 T N -1.422 113.157 114.554 0.042 0.000 2.962 40 T HA -0.020 4.330 4.350 0.000 0.000 0.270 40 T C 1.187 175.864 174.700 -0.038 0.000 1.088 40 T CA 0.897 62.993 62.100 -0.007 0.000 1.127 40 T CB -0.039 68.812 68.868 -0.027 0.000 0.883 40 T HN 0.356 nan 8.240 nan 0.000 0.493 41 L N -0.636 120.565 121.223 -0.037 0.000 2.700 41 L HA 0.413 4.753 4.340 0.000 0.000 0.234 41 L C 1.666 178.479 176.870 -0.095 0.000 1.156 41 L CA -0.357 54.380 54.840 -0.172 0.000 0.946 41 L CB -0.487 41.419 42.059 -0.256 0.000 1.216 41 L HN 0.089 nan 8.230 nan 0.000 0.493 42 F N 1.196 121.106 119.950 -0.066 0.000 2.115 42 F HA -0.294 4.233 4.527 0.000 0.000 0.300 42 F C 2.186 177.963 175.800 -0.039 0.000 1.092 42 F CA 2.124 60.127 58.000 0.005 0.000 1.245 42 F CB 0.046 38.937 39.000 -0.182 0.000 0.995 42 F HN 0.250 nan 8.300 nan 0.000 0.481 43 H N -1.906 117.285 119.070 0.203 0.000 2.595 43 H HA 0.061 4.617 4.556 0.000 0.000 0.265 43 H C 1.757 177.073 175.328 -0.021 0.000 0.953 43 H CA 0.465 56.570 56.048 0.094 0.000 1.197 43 H CB -0.012 29.811 29.762 0.101 0.000 1.438 43 H HN 0.184 nan 8.280 nan 0.000 0.531 44 L N 0.640 121.774 121.223 -0.148 0.000 2.010 44 L HA -0.217 4.123 4.340 0.000 0.000 0.219 44 L C 0.659 177.424 176.870 -0.176 0.000 1.077 44 L CA 1.922 56.506 54.840 -0.426 0.000 0.773 44 L CB -0.272 41.151 42.059 -1.059 0.000 0.892 44 L HN 0.549 nan 8.230 nan 0.000 0.436 45 W N -1.730 119.708 121.300 0.231 0.000 2.075 45 W HA 0.434 5.094 4.660 0.000 0.000 0.332 45 W C 0.543 177.312 176.519 0.417 0.000 0.905 45 W CA -1.139 56.360 57.345 0.257 0.000 2.126 45 W CB -1.131 28.458 29.460 0.215 0.000 1.143 45 W HN -0.195 nan 8.180 nan 0.000 0.542 46 R N 4.081 124.873 120.500 0.486 0.000 2.389 46 R HA 0.249 4.589 4.340 0.000 0.000 0.295 46 R C -2.002 174.379 176.300 0.135 0.000 1.075 46 R CA -1.373 54.720 56.100 -0.012 0.000 1.005 46 R CB 0.923 30.824 30.300 -0.665 0.000 0.987 46 R HN -0.143 nan 8.270 nan 0.000 0.452 47 P HA 0.089 nan 4.420 nan 0.000 0.276 47 P C -0.891 176.522 177.300 0.189 0.000 1.252 47 P CA -0.136 63.103 63.100 0.231 0.000 0.802 47 P CB 0.902 32.708 31.700 0.177 0.000 1.035 48 R N 0.158 120.789 120.500 0.218 0.000 2.369 48 R HA 0.426 4.766 4.340 0.000 0.000 0.210 48 R C 1.246 177.510 176.300 -0.060 0.000 0.881 48 R CA 0.195 56.318 56.100 0.039 0.000 1.031 48 R CB -0.282 29.920 30.300 -0.162 0.000 1.184 48 R HN 0.312 nan 8.270 nan 0.000 0.581 49 A N 0.561 123.325 122.820 -0.093 0.000 2.465 49 A HA 0.329 4.649 4.320 0.000 0.000 0.255 49 A C -0.771 176.671 177.584 -0.236 0.000 1.274 49 A CA -0.400 51.399 52.037 -0.397 0.000 0.920 49 A CB -0.246 18.426 19.000 -0.547 0.000 1.033 49 A HN 0.311 nan 8.150 nan 0.000 0.516 50 H N -1.281 117.807 119.070 0.030 0.000 2.616 50 H HA 0.572 5.128 4.556 0.000 0.000 0.353 50 H C -0.386 175.047 175.328 0.176 0.000 1.170 50 H CA -0.501 55.592 56.048 0.076 0.000 1.212 50 H CB 1.406 31.192 29.762 0.039 0.000 1.653 50 H HN 0.187 nan 8.280 nan 0.000 0.537 51 I N 4.151 124.860 120.570 0.232 0.000 2.363 51 I HA 0.132 4.302 4.170 0.000 0.000 0.292 51 I C -1.112 175.022 176.117 0.027 0.000 1.075 51 I CA -0.240 61.166 61.300 0.177 0.000 1.333 51 I CB -0.247 37.700 38.000 -0.088 0.000 1.415 51 I HN 0.186 nan 8.210 nan 0.000 0.502 52 L N 6.668 127.853 121.223 -0.064 0.000 2.622 52 L HA 0.724 5.064 4.340 0.000 0.000 0.258 52 L C -2.918 173.599 176.870 -0.588 0.000 0.996 52 L CA -2.413 52.192 54.840 -0.392 0.000 0.858 52 L CB 0.435 42.339 42.059 -0.258 0.000 1.449 52 L HN 0.132 nan 8.230 nan 0.000 0.411 53 P HA 0.148 nan 4.420 nan 0.000 0.273 53 P C 0.484 177.540 177.300 -0.407 0.000 1.250 53 P CA 0.148 62.971 63.100 -0.461 0.000 0.793 53 P CB 0.692 32.063 31.700 -0.548 0.000 1.011 54 A N 0.405 123.034 122.820 -0.318 0.000 2.024 54 A HA -0.113 4.207 4.320 0.000 0.000 0.220 54 A C 1.006 178.614 177.584 0.041 0.000 1.164 54 A CA 1.522 53.448 52.037 -0.184 0.000 0.643 54 A CB -0.593 18.338 19.000 -0.114 0.000 0.806 54 A HN 0.761 nan 8.150 nan 0.000 0.451 55 E N -3.963 116.309 120.200 0.120 0.000 2.427 55 E HA 0.446 4.796 4.350 0.000 0.000 0.279 55 E C 0.105 176.930 176.600 0.374 0.000 1.120 55 E CA -0.264 56.331 56.400 0.325 0.000 0.869 55 E CB -0.096 29.812 29.700 0.348 0.000 1.393 55 E HN 1.573 nan 8.360 nan 0.000 0.443 56 G N 0.733 109.774 108.800 0.401 0.000 2.693 56 G HA2 -0.090 3.870 3.960 0.000 0.000 0.226 56 G HA3 -0.090 3.870 3.960 0.000 0.000 0.226 56 G C -0.598 174.530 174.900 0.381 0.000 1.354 56 G CA 0.391 45.701 45.100 0.350 0.000 0.873 56 G HN 1.029 nan 8.290 nan 0.000 0.562 57 Q N -0.866 119.124 119.800 0.317 0.000 2.214 57 Q HA 0.795 5.135 4.340 0.000 0.000 0.251 57 Q C -0.125 176.132 176.000 0.428 0.000 0.936 57 Q CA -0.817 55.177 55.803 0.318 0.000 0.894 57 Q CB 1.852 30.721 28.738 0.218 0.000 1.252 57 Q HN 1.401 nan 8.270 nan 0.000 0.448 58 I N 2.065 122.847 120.570 0.353 0.000 2.465 58 I HA 0.770 4.940 4.170 0.000 0.000 0.291 58 I C -0.322 175.970 176.117 0.292 0.000 1.014 58 I CA -0.708 60.757 61.300 0.274 0.000 1.093 58 I CB 1.596 39.590 38.000 -0.008 0.000 1.267 58 I HN 0.884 nan 8.210 nan 0.000 0.431 59 G N 4.640 113.440 108.800 0.001 0.000 3.019 59 G HA2 0.236 4.196 3.960 0.000 0.000 0.152 59 G HA3 0.236 4.196 3.960 0.000 0.000 0.152 59 G C -0.952 173.272 174.900 -1.127 0.000 1.320 59 G CA -0.458 44.269 45.100 -0.621 0.000 1.013 59 G HN 0.554 nan 8.290 nan 0.000 0.593 60 D N 2.274 122.098 120.400 -0.959 0.000 2.493 60 D HA 0.236 4.876 4.640 0.000 0.000 0.240 60 D C -1.792 174.408 176.300 -0.168 0.000 1.142 60 D CA -0.416 53.260 54.000 -0.540 0.000 0.872 60 D CB 1.058 41.688 40.800 -0.282 0.000 1.173 60 D HN 0.022 nan 8.370 nan 0.000 0.467 61 P HA 0.236 nan 4.420 nan 0.000 0.276 61 P C -0.288 177.013 177.300 0.002 0.000 1.252 61 P CA -0.507 62.680 63.100 0.144 0.000 0.802 61 P CB 0.977 32.876 31.700 0.332 0.000 1.035 62 C N -3.158 115.997 119.300 -0.242 0.000 3.056 62 C HA 0.704 5.164 4.460 0.000 0.000 0.336 62 C C 0.331 174.974 174.990 -0.579 0.000 1.356 62 C CA -0.159 58.638 59.018 -0.368 0.000 1.216 62 C CB 0.210 27.868 27.740 -0.138 0.000 1.391 62 C HN 0.817 nan 8.230 nan 0.000 0.445 63 A N 0.495 123.097 122.820 -0.363 0.000 2.783 63 A HA -0.085 4.235 4.320 0.000 0.000 0.292 63 A C 0.143 177.643 177.584 -0.141 0.000 1.495 63 A CA 1.514 53.393 52.037 -0.264 0.000 0.787 63 A CB -2.598 16.214 19.000 -0.312 0.000 1.017 63 A HN 1.511 nan 8.150 nan 0.000 0.516 64 H N -0.989 118.111 119.070 0.050 0.000 2.551 64 H HA 0.626 5.182 4.556 0.000 0.000 0.358 64 H C 0.173 175.550 175.328 0.082 0.000 1.151 64 H CA 1.066 57.078 56.048 -0.060 0.000 1.374 64 H CB 0.470 30.243 29.762 0.018 0.000 1.473 64 H HN 0.983 nan 8.280 nan 0.000 0.574 65 Y N -2.538 117.645 120.300 -0.195 0.000 2.687 65 Y HA 0.299 4.849 4.550 -0.000 0.000 0.338 65 Y C -1.465 174.407 175.900 -0.046 0.000 1.189 65 Y CA -1.059 57.016 58.100 -0.042 0.000 1.097 65 Y CB 0.488 38.923 38.460 -0.041 0.000 1.342 65 Y HN 0.399 nan 8.280 nan 0.000 0.461 66 T N 2.797 117.514 114.554 0.272 0.000 2.749 66 T HA 0.171 4.521 4.350 0.000 0.000 0.287 66 T C -0.992 173.852 174.700 0.241 0.000 0.970 66 T CA -0.331 61.920 62.100 0.252 0.000 0.980 66 T CB 0.679 69.755 68.868 0.347 0.000 0.924 66 T HN 0.624 nan 8.240 nan 0.000 0.456 67 D N 4.208 124.684 120.400 0.126 0.000 2.358 67 D HA 0.148 4.788 4.640 0.000 0.000 0.258 67 D C -1.448 174.939 176.300 0.146 0.000 1.223 67 D CA -2.122 51.969 54.000 0.152 0.000 0.886 67 D CB 1.522 42.385 40.800 0.105 0.000 1.120 67 D HN 0.143 nan 8.370 nan 0.000 0.482 68 P HA -0.142 nan 4.420 nan 0.000 0.218 68 P C 1.345 178.694 177.300 0.082 0.000 1.148 68 P CA 0.841 64.006 63.100 0.109 0.000 0.822 68 P CB 0.304 32.062 31.700 0.097 0.000 0.784 69 S N -1.101 114.642 115.700 0.071 0.000 2.357 69 S HA -0.107 4.363 4.470 0.000 0.000 0.221 69 S C 1.960 176.594 174.600 0.058 0.000 1.031 69 S CA 2.111 60.343 58.200 0.054 0.000 0.982 69 S CB -1.257 61.968 63.200 0.041 0.000 0.853 69 S HN 0.286 nan 8.310 nan 0.000 0.458 70 T N -3.403 111.196 114.554 0.075 0.000 3.037 70 T HA 0.422 4.772 4.350 0.000 0.000 0.252 70 T C 1.683 176.428 174.700 0.074 0.000 1.073 70 T CA 1.113 63.256 62.100 0.071 0.000 1.091 70 T CB -0.149 68.770 68.868 0.086 0.000 0.935 70 T HN 1.097 nan 8.240 nan 0.000 0.488 71 G N 1.403 110.261 108.800 0.096 0.000 2.179 71 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 71 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 71 G C 0.013 174.984 174.900 0.118 0.000 0.977 71 G CA 0.227 45.387 45.100 0.100 0.000 0.641 71 G HN 0.641 nan 8.290 nan 0.000 0.533 72 L N -0.035 121.261 121.223 0.122 0.000 2.452 72 L HA 0.561 4.901 4.340 0.000 0.000 0.267 72 L C 0.630 177.624 176.870 0.206 0.000 1.188 72 L CA -0.763 54.148 54.840 0.117 0.000 0.821 72 L CB 0.516 42.603 42.059 0.047 0.000 1.102 72 L HN 0.133 nan 8.230 nan 0.000 0.470 73 F N 2.329 122.287 119.950 0.013 0.000 2.410 73 F HA 0.317 4.844 4.527 0.000 0.000 0.349 73 F C 0.241 176.027 175.800 -0.023 0.000 1.117 73 F CA -0.351 57.669 58.000 0.033 0.000 1.104 73 F CB 0.331 39.359 39.000 0.046 0.000 1.122 73 F HN 0.318 nan 8.300 nan 0.000 0.483 74 H N 5.152 123.671 119.070 -0.919 0.000 2.473 74 H HA 0.537 5.093 4.556 0.000 0.000 0.327 74 H C -0.818 174.064 175.328 -0.742 0.000 1.105 74 H CA -0.868 54.727 56.048 -0.756 0.000 1.280 74 H CB 1.985 31.123 29.762 -1.040 0.000 1.450 74 H HN 0.330 nan 8.280 nan 0.000 0.492 75 V N 2.275 122.040 119.914 -0.248 0.000 2.555 75 V HA 0.519 4.639 4.120 0.000 0.000 0.302 75 V C 0.480 176.582 176.094 0.012 0.000 1.038 75 V CA -0.682 61.565 62.300 -0.088 0.000 0.887 75 V CB 1.911 33.611 31.823 -0.206 0.000 0.991 75 V HN 0.954 nan 8.190 nan 0.000 0.434 76 G N 2.790 111.637 108.800 0.079 0.000 2.569 76 G HA2 0.912 4.872 3.960 0.000 0.000 0.300 76 G HA3 0.912 4.872 3.960 0.000 0.000 0.300 76 G C -1.472 173.408 174.900 -0.033 0.000 1.269 76 G CA -0.623 44.382 45.100 -0.158 0.000 0.959 76 G HN 0.926 nan 8.290 nan 0.000 0.478 77 F N -1.280 118.609 119.950 -0.102 0.000 2.708 77 F HA 0.553 5.080 4.527 -0.000 0.000 0.309 77 F C -1.086 174.675 175.800 -0.065 0.000 1.120 77 F CA -1.646 56.297 58.000 -0.094 0.000 0.978 77 F CB 0.679 39.636 39.000 -0.071 0.000 1.283 77 F HN 0.465 nan 8.300 nan 0.000 0.439 78 L N 2.889 124.199 121.223 0.146 0.000 2.461 78 L HA 0.327 4.667 4.340 0.000 0.000 0.272 78 L C -0.614 176.467 176.870 0.351 0.000 1.197 78 L CA 0.041 54.969 54.840 0.147 0.000 0.836 78 L CB 0.350 42.436 42.059 0.045 0.000 1.105 78 L HN 0.812 nan 8.230 nan 0.000 0.477 79 H N 2.533 121.739 119.070 0.227 0.000 2.934 79 H HA 0.185 4.741 4.556 0.000 0.000 0.340 79 H C -0.469 175.063 175.328 0.339 0.000 1.008 79 H CA -0.955 55.243 56.048 0.249 0.000 1.317 79 H CB 0.992 30.744 29.762 -0.017 0.000 1.670 79 H HN 0.630 nan 8.280 nan 0.000 0.516 80 D N 3.851 124.326 120.400 0.125 0.000 2.983 80 D HA -0.177 4.463 4.640 0.000 0.000 0.225 80 D C 1.027 177.393 176.300 0.111 0.000 1.174 80 D CA 1.772 55.801 54.000 0.048 0.000 0.831 80 D CB -1.290 39.453 40.800 -0.095 0.000 1.104 80 D HN 1.149 nan 8.370 nan 0.000 0.421 81 G N 0.755 109.649 108.800 0.156 0.000 2.258 81 G HA2 -0.323 3.637 3.960 0.000 0.000 0.274 81 G HA3 -0.323 3.637 3.960 0.000 0.000 0.274 81 G C 0.251 175.220 174.900 0.114 0.000 1.021 81 G CA 0.718 45.903 45.100 0.142 0.000 0.798 81 G HN 0.500 nan 8.290 nan 0.000 0.507 82 D N -0.656 119.816 120.400 0.120 0.000 2.819 82 D HA 0.514 5.154 4.640 0.000 0.000 0.326 82 D C 0.898 177.147 176.300 -0.085 0.000 1.408 82 D CA 1.363 55.341 54.000 -0.037 0.000 0.811 82 D CB -0.146 40.547 40.800 -0.177 0.000 1.148 82 D HN 1.389 nan 8.370 nan 0.000 0.457 83 G N -0.068 108.807 108.800 0.125 0.000 2.384 83 G HA2 -0.054 3.906 3.960 0.000 0.000 0.668 83 G HA3 -0.054 3.906 3.960 0.000 0.000 0.668 83 G C -0.988 174.072 174.900 0.267 0.000 1.280 83 G CA -0.817 44.367 45.100 0.140 0.000 0.992 83 G HN 0.130 nan 8.290 nan 0.000 0.512 84 I N 1.325 121.973 120.570 0.130 0.000 2.336 84 I HA 0.610 4.780 4.170 0.000 0.000 0.292 84 I C 0.864 176.937 176.117 -0.074 0.000 0.991 84 I CA -0.418 60.863 61.300 -0.030 0.000 1.227 84 I CB 1.467 39.363 38.000 -0.174 0.000 1.366 84 I HN 0.961 nan 8.210 nan 0.000 0.466 85 A N 4.495 127.060 122.820 -0.424 0.000 2.288 85 A HA 0.965 5.285 4.320 0.000 0.000 0.328 85 A C -0.095 177.042 177.584 -0.746 0.000 1.123 85 A CA -0.496 51.151 52.037 -0.650 0.000 0.861 85 A CB 1.529 19.927 19.000 -1.002 0.000 1.272 85 A HN 0.807 nan 8.150 nan 0.000 0.490 86 G N -1.686 106.827 108.800 -0.478 0.000 2.694 86 G HA2 0.819 4.779 3.960 0.000 0.000 0.290 86 G HA3 0.819 4.779 3.960 0.000 0.000 0.290 86 G C -0.903 173.937 174.900 -0.100 0.000 1.386 86 G CA 0.027 44.960 45.100 -0.278 0.000 0.872 86 G HN 1.829 nan 8.290 nan 0.000 0.475 87 A N -0.347 122.475 122.820 0.003 0.000 2.606 87 A HA 0.957 5.277 4.320 0.000 0.000 0.293 87 A C -0.211 177.364 177.584 -0.015 0.000 1.082 87 A CA -0.009 52.105 52.037 0.129 0.000 0.685 87 A CB 1.630 20.883 19.000 0.421 0.000 1.284 87 A HN 1.816 nan 8.150 nan 0.000 0.408 88 T N -1.682 112.850 114.554 -0.037 0.000 2.916 88 T HA 0.834 5.184 4.350 0.000 0.000 0.292 88 T C -0.406 174.254 174.700 -0.065 0.000 1.055 88 T CA -0.392 61.590 62.100 -0.196 0.000 1.009 88 T CB 1.871 70.509 68.868 -0.384 0.000 1.118 88 T HN 1.543 nan 8.240 nan 0.000 0.497 89 T N -0.596 113.909 114.554 -0.081 0.000 2.956 89 T HA 0.644 4.994 4.350 0.000 0.000 0.312 89 T C 0.293 174.937 174.700 -0.093 0.000 1.151 89 T CA -0.042 61.955 62.100 -0.172 0.000 1.024 89 T CB 1.296 69.965 68.868 -0.332 0.000 1.140 89 T HN 1.037 nan 8.240 nan 0.000 0.473 90 A N 3.247 125.988 122.820 -0.133 0.000 2.343 90 A HA 0.305 4.625 4.320 0.000 0.000 0.223 90 A C 1.171 178.696 177.584 -0.097 0.000 1.214 90 A CA 0.556 52.546 52.037 -0.078 0.000 0.900 90 A CB -0.172 18.785 19.000 -0.073 0.000 0.942 90 A HN 0.854 nan 8.150 nan 0.000 0.507 91 N N -2.393 116.211 118.700 -0.160 0.000 2.113 91 N HA 0.162 4.902 4.740 0.000 0.000 0.223 91 N C 0.206 175.600 175.510 -0.193 0.000 1.310 91 N CA 0.207 53.157 53.050 -0.166 0.000 0.896 91 N CB 0.269 38.646 38.487 -0.183 0.000 1.097 91 N HN 0.341 nan 8.380 nan 0.000 0.507 92 L N -0.989 120.092 121.223 -0.238 0.000 3.730 92 L HA -0.211 4.129 4.340 0.000 0.000 0.410 92 L C 0.390 177.132 176.870 -0.214 0.000 1.234 92 L CA 0.723 55.449 54.840 -0.190 0.000 0.911 92 L CB -1.573 40.413 42.059 -0.121 0.000 1.942 92 L HN 0.485 nan 8.230 nan 0.000 0.860 93 A N -2.358 120.233 122.820 -0.383 0.000 1.773 93 A HA 0.581 4.901 4.320 0.000 0.000 0.210 93 A C 0.693 178.120 177.584 -0.261 0.000 1.775 93 A CA 0.778 52.663 52.037 -0.254 0.000 1.157 93 A CB 0.341 19.134 19.000 -0.345 0.000 1.119 93 A HN 0.915 nan 8.150 nan 0.000 0.501 94 T N -1.827 112.432 114.554 -0.492 0.000 2.856 94 T HA 0.750 5.100 4.350 0.000 0.000 0.283 94 T C -0.845 173.347 174.700 -0.846 0.000 1.008 94 T CA -0.456 61.373 62.100 -0.452 0.000 0.997 94 T CB 1.288 70.031 68.868 -0.209 0.000 0.992 94 T HN 0.207 nan 8.240 nan 0.000 0.454 95 Y N -0.046 119.927 120.300 -0.544 0.000 2.598 95 Y HA 0.699 5.249 4.550 0.000 0.000 0.340 95 Y C 0.498 176.188 175.900 -0.349 0.000 1.038 95 Y CA -1.000 56.735 58.100 -0.609 0.000 1.100 95 Y CB 2.636 40.373 38.460 -1.204 0.000 1.281 95 Y HN 0.740 nan 8.280 nan 0.000 0.488 96 T N 1.271 115.875 114.554 0.084 0.000 2.928 96 T HA 0.213 4.563 4.350 0.000 0.000 0.296 96 T C -1.395 173.503 174.700 0.330 0.000 1.000 96 T CA -1.041 61.201 62.100 0.237 0.000 0.989 96 T CB 0.996 69.915 68.868 0.086 0.000 1.005 96 T HN 0.406 nan 8.240 nan 0.000 0.442 97 D N 2.329 122.965 120.400 0.394 0.000 2.443 97 D HA 0.060 4.700 4.640 0.000 0.000 0.239 97 D C 1.542 177.906 176.300 0.107 0.000 1.136 97 D CA 0.277 54.414 54.000 0.229 0.000 0.879 97 D CB 1.459 42.323 40.800 0.107 0.000 1.195 97 D HN 0.682 nan 8.370 nan 0.000 0.443 98 T N -1.328 113.258 114.554 0.053 0.000 2.951 98 T HA -0.039 4.311 4.350 0.000 0.000 0.268 98 T C 0.997 175.719 174.700 0.036 0.000 1.073 98 T CA 0.563 62.682 62.100 0.032 0.000 1.134 98 T CB 0.059 68.945 68.868 0.031 0.000 0.884 98 T HN 0.482 nan 8.240 nan 0.000 0.479 99 S N 0.748 116.467 115.700 0.030 0.000 2.636 99 S HA 0.515 4.985 4.470 0.000 0.000 0.268 99 S C -1.762 172.855 174.600 0.029 0.000 1.159 99 S CA -0.894 57.327 58.200 0.035 0.000 0.815 99 S CB 1.507 64.734 63.200 0.045 0.000 1.130 99 S HN 0.415 nan 8.310 nan 0.000 0.471 100 D N -0.193 120.230 120.400 0.038 0.000 2.511 100 D HA 0.482 5.122 4.640 0.000 0.000 0.276 100 D C 0.148 176.484 176.300 0.061 0.000 1.220 100 D CA -0.426 53.596 54.000 0.037 0.000 1.077 100 D CB -0.309 40.513 40.800 0.036 0.000 1.126 100 D HN 0.775 nan 8.370 nan 0.000 0.583 101 N N -1.382 117.359 118.700 0.069 0.000 2.725 101 N HA -0.185 4.555 4.740 0.000 0.000 0.251 101 N C 0.844 176.462 175.510 0.181 0.000 1.031 101 N CA 1.815 54.932 53.050 0.111 0.000 0.720 101 N CB -1.186 37.364 38.487 0.106 0.000 0.930 101 N HN 1.117 nan 8.380 nan 0.000 0.543 102 G N -1.359 107.516 108.800 0.124 0.000 2.279 102 G HA2 -0.216 3.744 3.960 0.000 0.000 0.223 102 G HA3 -0.216 3.744 3.960 0.000 0.000 0.223 102 G C 0.528 175.292 174.900 -0.226 0.000 1.015 102 G CA 0.866 46.001 45.100 0.057 0.000 0.621 102 G HN 1.693 nan 8.290 nan 0.000 0.506 103 S N -1.093 114.564 115.700 -0.072 0.000 3.635 103 S HA -0.215 4.255 4.470 0.000 0.000 0.328 103 S C 0.510 175.020 174.600 -0.151 0.000 1.135 103 S CA 1.051 59.191 58.200 -0.099 0.000 0.942 103 S CB -1.831 61.283 63.200 -0.143 0.000 0.930 103 S HN 1.342 nan 8.310 nan 0.000 0.512 104 F N 0.753 120.712 119.950 0.014 0.000 2.518 104 F HA 0.275 4.802 4.527 0.000 0.000 0.359 104 F C 1.575 177.367 175.800 -0.014 0.000 1.118 104 F CA 0.377 58.370 58.000 -0.012 0.000 1.287 104 F CB 0.455 39.460 39.000 0.008 0.000 1.132 104 F HN 0.153 nan 8.300 nan 0.000 0.587 105 L N 2.962 124.292 121.223 0.178 0.000 2.362 105 L HA 0.364 4.704 4.340 0.000 0.000 0.204 105 L C 0.189 177.139 176.870 0.132 0.000 1.060 105 L CA 0.391 55.328 54.840 0.161 0.000 0.827 105 L CB 0.400 42.558 42.059 0.165 0.000 1.027 105 L HN 0.513 nan 8.230 nan 0.000 0.474 106 I N -0.635 119.969 120.570 0.056 0.000 2.743 106 I HA 0.264 4.434 4.170 0.000 0.000 0.292 106 I C -1.744 174.317 176.117 -0.094 0.000 1.343 106 I CA -0.358 60.909 61.300 -0.056 0.000 1.038 106 I CB 2.183 40.058 38.000 -0.208 0.000 1.311 106 I HN 0.050 nan 8.210 nan 0.000 0.426 107 Q N 7.222 126.941 119.800 -0.135 0.000 2.484 107 Q HA 0.579 4.919 4.340 0.000 0.000 0.285 107 Q C -2.616 173.300 176.000 -0.139 0.000 1.097 107 Q CA -1.816 53.875 55.803 -0.186 0.000 0.802 107 Q CB 2.449 30.997 28.738 -0.317 0.000 1.444 107 Q HN 0.402 nan 8.270 nan 0.000 0.429 108 P HA 0.087 nan 4.420 nan 0.000 0.274 108 P C 0.195 177.444 177.300 -0.085 0.000 1.260 108 P CA 0.438 63.488 63.100 -0.084 0.000 0.793 108 P CB 0.558 32.211 31.700 -0.078 0.000 1.048 109 G N -2.154 106.603 108.800 -0.072 0.000 2.205 109 G HA2 -0.081 3.879 3.960 0.000 0.000 0.180 109 G HA3 -0.081 3.879 3.960 0.000 0.000 0.180 109 G C 0.470 175.338 174.900 -0.053 0.000 1.004 109 G CA -0.097 44.962 45.100 -0.069 0.000 0.670 109 G HN 0.868 nan 8.290 nan 0.000 0.496 110 G N 0.164 108.941 108.800 -0.038 0.000 2.588 110 G HA2 0.511 4.471 3.960 0.000 0.000 0.281 110 G HA3 0.511 4.471 3.960 0.000 0.000 0.281 110 G C 1.085 175.963 174.900 -0.036 0.000 1.236 110 G CA 0.355 45.441 45.100 -0.023 0.000 0.969 110 G HN 0.454 nan 8.290 nan 0.000 0.504 111 K N -0.388 119.994 120.400 -0.030 0.000 2.155 111 K HA -0.032 4.288 4.320 0.000 0.000 0.203 111 K C 1.351 177.921 176.600 -0.051 0.000 1.052 111 K CA 0.935 57.198 56.287 -0.041 0.000 0.948 111 K CB -0.072 32.411 32.500 -0.028 0.000 0.728 111 K HN 0.294 nan 8.250 nan 0.000 0.448 112 N N 2.073 120.749 118.700 -0.041 0.000 2.376 112 N HA -0.075 4.665 4.740 0.000 0.000 0.177 112 N C -0.139 175.326 175.510 -0.074 0.000 1.024 112 N CA 1.227 54.242 53.050 -0.058 0.000 0.893 112 N CB 0.053 38.499 38.487 -0.068 0.000 0.980 112 N HN 0.443 nan 8.380 nan 0.000 0.439 113 D N -0.603 119.769 120.400 -0.047 0.000 2.886 113 D HA 0.156 4.796 4.640 0.000 0.000 0.355 113 D C -2.051 174.194 176.300 -0.091 0.000 1.274 113 D CA -1.599 52.367 54.000 -0.057 0.000 0.836 113 D CB 0.885 41.719 40.800 0.057 0.000 1.109 113 D HN 0.070 nan 8.370 nan 0.000 0.488 114 P HA -0.136 nan 4.420 nan 0.000 0.220 114 P C 1.170 178.381 177.300 -0.148 0.000 1.148 114 P CA 0.454 63.469 63.100 -0.142 0.000 0.803 114 P CB 0.647 32.240 31.700 -0.179 0.000 0.782 115 V N -0.990 118.815 119.914 -0.181 0.000 2.581 115 V HA 0.368 4.488 4.120 0.000 0.000 0.240 115 V C 1.307 177.331 176.094 -0.118 0.000 1.054 115 V CA 1.327 63.534 62.300 -0.155 0.000 1.076 115 V CB -0.375 31.333 31.823 -0.191 0.000 0.748 115 V HN 0.226 nan 8.190 nan 0.000 0.474 116 A N -1.041 121.687 122.820 -0.152 0.000 2.586 116 A HA 0.701 5.021 4.320 0.000 0.000 0.290 116 A C -1.764 175.753 177.584 -0.110 0.000 1.086 116 A CA -0.330 51.642 52.037 -0.109 0.000 0.665 116 A CB 1.660 20.618 19.000 -0.070 0.000 1.279 116 A HN -0.057 nan 8.150 nan 0.000 0.423 117 V N 1.945 121.869 119.914 0.017 0.000 2.350 117 V HA 0.539 4.659 4.120 0.000 0.000 0.285 117 V C -0.836 175.442 176.094 0.305 0.000 1.014 117 V CA -0.349 62.009 62.300 0.096 0.000 0.831 117 V CB 0.686 32.491 31.823 -0.029 0.000 1.000 117 V HN 0.683 nan 8.190 nan 0.000 0.433 118 F N 1.149 121.170 119.950 0.119 0.000 2.294 118 F HA 0.501 5.028 4.527 0.000 0.000 0.319 118 F C 1.011 176.852 175.800 0.069 0.000 1.107 118 F CA -1.578 56.473 58.000 0.085 0.000 1.094 118 F CB 0.372 39.429 39.000 0.096 0.000 1.508 118 F HN 0.425 nan 8.300 nan 0.000 0.506 119 D N -0.203 120.334 120.400 0.228 0.000 2.443 119 D HA 0.370 5.010 4.640 0.000 0.000 0.234 119 D C 0.341 176.707 176.300 0.109 0.000 1.172 119 D CA 0.769 54.829 54.000 0.100 0.000 0.878 119 D CB 0.439 41.275 40.800 0.059 0.000 1.204 119 D HN 0.644 nan 8.370 nan 0.000 0.453 120 G N -1.403 107.414 108.800 0.029 0.000 2.695 120 G HA2 0.711 4.671 3.960 0.000 0.000 0.290 120 G HA3 0.711 4.671 3.960 0.000 0.000 0.290 120 G C -1.757 173.105 174.900 -0.063 0.000 1.410 120 G CA -0.345 44.758 45.100 0.006 0.000 0.844 120 G HN 0.594 nan 8.290 nan 0.000 0.478 121 A N -0.825 121.934 122.820 -0.102 0.000 2.515 121 A HA 0.862 5.182 4.320 0.000 0.000 0.296 121 A C -1.229 176.223 177.584 -0.221 0.000 1.094 121 A CA -0.610 51.346 52.037 -0.136 0.000 0.718 121 A CB 1.997 20.915 19.000 -0.136 0.000 1.307 121 A HN 1.326 nan 8.150 nan 0.000 0.408 122 V N 1.642 121.422 119.914 -0.224 0.000 2.555 122 V HA 0.415 4.535 4.120 0.000 0.000 0.302 122 V C -0.448 175.436 176.094 -0.350 0.000 1.038 122 V CA -0.277 61.843 62.300 -0.301 0.000 0.887 122 V CB 1.608 33.210 31.823 -0.368 0.000 0.991 122 V HN 0.703 nan 8.190 nan 0.000 0.434 123 I N 6.527 126.823 120.570 -0.458 0.000 2.304 123 I HA 0.259 4.429 4.170 0.000 0.000 0.291 123 I C -1.532 174.368 176.117 -0.361 0.000 1.018 123 I CA -1.777 59.135 61.300 -0.647 0.000 1.260 123 I CB 2.034 39.557 38.000 -0.796 0.000 1.390 123 I HN 0.463 nan 8.210 nan 0.000 0.475 124 P HA -0.137 nan 4.420 nan 0.000 0.215 124 P C 0.210 177.479 177.300 -0.051 0.000 1.157 124 P CA 1.168 64.240 63.100 -0.045 0.000 0.874 124 P CB 0.185 31.974 31.700 0.148 0.000 0.790 125 V N -0.749 119.180 119.914 0.024 0.000 2.266 125 V HA 0.540 4.660 4.120 0.000 0.000 0.271 125 V C 0.812 176.898 176.094 -0.013 0.000 1.032 125 V CA 0.001 62.319 62.300 0.030 0.000 0.806 125 V CB 0.479 32.381 31.823 0.133 0.000 1.052 125 V HN 0.122 nan 8.190 nan 0.000 0.449 126 G N 2.960 111.604 108.800 -0.260 0.000 3.306 126 G HA2 0.444 4.404 3.960 0.000 0.000 0.202 126 G HA3 0.444 4.404 3.960 0.000 0.000 0.202 126 G C -0.013 174.396 174.900 -0.818 0.000 1.673 126 G CA -0.377 44.274 45.100 -0.749 0.000 0.776 126 G HN 0.330 nan 8.290 nan 0.000 0.740 127 V N 2.162 121.574 119.914 -0.837 0.000 2.673 127 V HA 0.119 4.239 4.120 0.000 0.000 0.303 127 V C 0.474 176.425 176.094 -0.238 0.000 1.046 127 V CA 0.376 62.407 62.300 -0.450 0.000 1.126 127 V CB 0.778 32.413 31.823 -0.313 0.000 0.934 127 V HN 0.686 nan 8.190 nan 0.000 0.487 128 N N 3.460 122.083 118.700 -0.130 0.000 2.708 128 N HA -0.216 4.524 4.740 0.000 0.000 0.251 128 N C 0.504 175.966 175.510 -0.080 0.000 1.123 128 N CA 1.121 54.121 53.050 -0.083 0.000 0.739 128 N CB -1.346 37.089 38.487 -0.088 0.000 1.113 128 N HN 0.897 nan 8.380 nan 0.000 0.561 129 N N -2.312 116.338 118.700 -0.084 0.000 2.714 129 N HA -0.205 4.535 4.740 0.000 0.000 0.250 129 N C -0.057 175.407 175.510 -0.077 0.000 1.117 129 N CA 1.746 54.766 53.050 -0.051 0.000 0.719 129 N CB -1.667 36.816 38.487 -0.007 0.000 1.081 129 N HN 0.809 nan 8.380 nan 0.000 0.557 130 T N -4.046 110.425 114.554 -0.139 0.000 2.926 130 T HA 0.611 4.961 4.350 0.000 0.000 0.289 130 T C -3.077 171.492 174.700 -0.218 0.000 1.054 130 T CA -2.095 59.913 62.100 -0.154 0.000 1.015 130 T CB 2.980 71.747 68.868 -0.167 0.000 1.167 130 T HN -0.299 nan 8.240 nan 0.000 0.526 131 P HA 0.232 nan 4.420 nan 0.000 0.262 131 P C -0.658 176.475 177.300 -0.278 0.000 1.199 131 P CA 0.229 63.102 63.100 -0.378 0.000 0.763 131 P CB 0.120 31.440 31.700 -0.635 0.000 0.790 132 T N 4.625 119.024 114.554 -0.259 0.000 2.792 132 T HA 0.414 4.764 4.350 0.000 0.000 0.280 132 T C -0.438 174.176 174.700 -0.143 0.000 0.990 132 T CA -0.467 61.538 62.100 -0.158 0.000 0.960 132 T CB 0.624 69.306 68.868 -0.309 0.000 0.939 132 T HN 0.117 nan 8.240 nan 0.000 0.439 133 L N 4.747 125.947 121.223 -0.037 0.000 2.276 133 L HA 0.661 5.001 4.340 0.000 0.000 0.286 133 L C -1.018 175.804 176.870 -0.080 0.000 1.061 133 L CA -0.700 54.013 54.840 -0.211 0.000 0.807 133 L CB 0.648 42.390 42.059 -0.529 0.000 1.177 133 L HN 0.513 nan 8.230 nan 0.000 0.429 134 L N 7.638 128.777 121.223 -0.141 0.000 2.280 134 L HA 0.565 4.905 4.340 0.000 0.000 0.287 134 L C -1.144 175.667 176.870 -0.098 0.000 1.023 134 L CA -0.228 54.503 54.840 -0.182 0.000 0.819 134 L CB 0.687 42.556 42.059 -0.317 0.000 1.212 134 L HN 0.668 nan 8.230 nan 0.000 0.420 135 Y N 0.839 121.022 120.300 -0.196 0.000 2.581 135 Y HA 0.714 5.264 4.550 -0.000 0.000 0.345 135 Y C -0.462 175.371 175.900 -0.112 0.000 1.036 135 Y CA -1.143 56.869 58.100 -0.145 0.000 1.042 135 Y CB 0.908 39.283 38.460 -0.142 0.000 1.289 135 Y HN 0.395 nan 8.280 nan 0.000 0.471 136 T N 3.075 117.631 114.554 0.003 0.000 2.738 136 T HA 0.320 4.670 4.350 0.000 0.000 0.293 136 T C -0.319 174.361 174.700 -0.033 0.000 0.913 136 T CA -0.374 61.694 62.100 -0.052 0.000 1.103 136 T CB -0.341 68.605 68.868 0.130 0.000 0.880 136 T HN 0.674 nan 8.240 nan 0.000 0.526 137 S N 2.728 118.286 115.700 -0.237 0.000 2.480 137 S HA 0.579 5.049 4.470 0.000 0.000 0.286 137 S C -0.092 174.406 174.600 -0.169 0.000 1.180 137 S CA -0.947 57.170 58.200 -0.137 0.000 1.075 137 S CB 1.095 64.156 63.200 -0.232 0.000 0.996 137 S HN 0.411 nan 8.310 nan 0.000 0.487 138 V N 3.070 122.840 119.914 -0.241 0.000 2.435 138 V HA 0.393 4.513 4.120 0.000 0.000 0.290 138 V C 0.419 176.365 176.094 -0.248 0.000 1.030 138 V CA -0.485 61.624 62.300 -0.318 0.000 0.881 138 V CB 1.488 32.922 31.823 -0.648 0.000 0.983 138 V HN 1.056 nan 8.190 nan 0.000 0.445 139 S N 3.138 118.704 115.700 -0.223 0.000 2.526 139 S HA 0.457 4.927 4.470 0.000 0.000 0.220 139 S C -0.295 173.784 174.600 -0.869 0.000 1.017 139 S CA 0.160 58.076 58.200 -0.473 0.000 0.930 139 S CB 0.201 63.142 63.200 -0.431 0.000 0.856 139 S HN 0.557 nan 8.310 nan 0.000 0.497 140 F N 0.565 120.453 119.950 -0.103 0.000 2.619 140 F HA 0.631 5.158 4.527 -0.000 0.000 0.308 140 F C -0.725 175.028 175.800 -0.077 0.000 1.097 140 F CA -0.919 57.029 58.000 -0.086 0.000 0.953 140 F CB 1.448 40.389 39.000 -0.098 0.000 1.287 140 F HN -0.179 nan 8.300 nan 0.000 0.446 141 L N 2.611 123.918 121.223 0.139 0.000 2.424 141 L HA 0.633 4.973 4.340 0.000 0.000 0.258 141 L C -2.234 174.689 176.870 0.090 0.000 0.995 141 L CA -1.746 53.156 54.840 0.103 0.000 0.821 141 L CB 2.502 44.615 42.059 0.090 0.000 1.383 141 L HN 0.481 nan 8.230 nan 0.000 0.410 142 P HA 0.495 nan 4.420 nan 0.000 0.276 142 P C -1.273 176.090 177.300 0.105 0.000 1.261 142 P CA -0.304 62.854 63.100 0.097 0.000 0.800 142 P CB 1.422 33.163 31.700 0.069 0.000 1.066 143 I N 0.601 121.277 120.570 0.177 0.000 2.512 143 I HA 0.341 4.511 4.170 0.000 0.000 0.287 143 I C -0.482 175.813 176.117 0.297 0.000 1.069 143 I CA -0.455 60.975 61.300 0.217 0.000 1.056 143 I CB 1.738 39.914 38.000 0.293 0.000 1.229 143 I HN 0.473 nan 8.210 nan 0.000 0.429 144 H N 6.466 125.629 119.070 0.155 0.000 3.140 144 H HA 0.070 4.626 4.556 0.000 0.000 0.336 144 H C -0.195 175.169 175.328 0.059 0.000 1.142 144 H CA -0.730 55.353 56.048 0.058 0.000 1.308 144 H CB 1.869 31.561 29.762 -0.117 0.000 1.970 144 H HN 0.834 nan 8.280 nan 0.000 0.521 145 W N 3.501 124.681 121.300 -0.201 0.000 2.364 145 W HA -0.140 4.520 4.660 0.000 0.000 0.281 145 W C 0.688 177.284 176.519 0.128 0.000 1.219 145 W CA 1.247 58.546 57.345 -0.076 0.000 1.220 145 W CB -1.106 28.249 29.460 -0.175 0.000 1.127 145 W HN 0.417 nan 8.180 nan 0.000 0.556 146 S N 0.808 116.211 115.700 -0.496 0.000 2.593 146 S HA 0.199 4.669 4.470 0.000 0.000 0.217 146 S C 0.693 175.244 174.600 -0.081 0.000 0.966 146 S CA 0.126 58.033 58.200 -0.489 0.000 0.914 146 S CB -1.057 61.477 63.200 -1.111 0.000 0.776 146 S HN 0.406 nan 8.310 nan 0.000 0.523 147 I N -3.391 117.232 120.570 0.088 0.000 2.969 147 I HA 0.669 4.839 4.170 0.000 0.000 0.307 147 I C -3.268 172.939 176.117 0.149 0.000 1.149 147 I CA -3.276 58.067 61.300 0.071 0.000 1.008 147 I CB 1.143 39.149 38.000 0.010 0.000 1.232 147 I HN -0.297 nan 8.210 nan 0.000 0.435 148 P HA -0.016 nan 4.420 nan 0.000 0.265 148 P C -1.498 175.873 177.300 0.118 0.000 1.187 148 P CA 0.515 63.600 63.100 -0.025 0.000 0.766 148 P CB 0.070 31.737 31.700 -0.056 0.000 0.820 149 Y N 2.288 122.616 120.300 0.047 0.000 2.316 149 Y HA 0.202 4.752 4.550 0.000 0.000 0.331 149 Y C 0.354 176.272 175.900 0.029 0.000 1.083 149 Y CA 0.192 58.358 58.100 0.111 0.000 1.206 149 Y CB 0.544 39.106 38.460 0.170 0.000 1.195 149 Y HN 0.224 nan 8.280 nan 0.000 0.497 150 T N 7.443 121.768 114.554 -0.383 0.000 2.749 150 T HA 0.191 4.541 4.350 0.000 0.000 0.295 150 T C -0.166 174.342 174.700 -0.320 0.000 0.936 150 T CA -0.547 61.355 62.100 -0.332 0.000 1.060 150 T CB 0.059 68.702 68.868 -0.376 0.000 0.904 150 T HN 0.514 nan 8.240 nan 0.000 0.500 151 R N 2.397 122.820 120.500 -0.129 0.000 2.585 151 R HA 0.327 4.667 4.340 0.000 0.000 0.275 151 R C 1.413 177.651 176.300 -0.104 0.000 1.018 151 R CA 1.429 57.527 56.100 -0.003 0.000 1.072 151 R CB -0.542 29.737 30.300 -0.036 0.000 0.953 151 R HN 0.930 nan 8.270 nan 0.000 0.419 152 G N 2.074 110.910 108.800 0.061 0.000 2.148 152 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 152 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 152 G C 0.958 176.015 174.900 0.262 0.000 0.981 152 G CA 0.619 45.798 45.100 0.133 0.000 0.670 152 G HN 0.601 nan 8.290 nan 0.000 0.528 153 S N 0.054 115.845 115.700 0.152 0.000 2.353 153 S HA 0.043 4.513 4.470 0.000 0.000 0.222 153 S C 0.937 175.622 174.600 0.142 0.000 1.035 153 S CA 1.771 60.048 58.200 0.127 0.000 1.025 153 S CB -0.031 62.989 63.200 -0.300 0.000 0.902 153 S HN 0.779 nan 8.310 nan 0.000 0.440 154 E N 0.400 120.750 120.200 0.251 0.000 2.234 154 E HA 0.472 4.822 4.350 0.000 0.000 0.266 154 E C -0.655 176.096 176.600 0.251 0.000 0.877 154 E CA -0.508 56.025 56.400 0.221 0.000 0.758 154 E CB 2.105 32.017 29.700 0.354 0.000 1.170 154 E HN 0.327 nan 8.360 nan 0.000 0.415 155 T N -0.272 114.333 114.554 0.085 0.000 2.864 155 T HA 0.444 4.794 4.350 0.000 0.000 0.289 155 T C -0.743 173.883 174.700 -0.123 0.000 1.082 155 T CA -1.157 60.969 62.100 0.043 0.000 1.009 155 T CB 1.585 70.448 68.868 -0.007 0.000 1.234 155 T HN 0.159 nan 8.240 nan 0.000 0.526 156 Q N 1.097 120.783 119.800 -0.189 0.000 2.341 156 Q HA 0.654 4.994 4.340 0.000 0.000 0.268 156 Q C -0.885 174.882 176.000 -0.387 0.000 1.013 156 Q CA -0.533 55.062 55.803 -0.347 0.000 0.798 156 Q CB 1.850 30.347 28.738 -0.402 0.000 1.253 156 Q HN 0.738 nan 8.270 nan 0.000 0.457 157 S N 1.748 117.094 115.700 -0.590 0.000 2.689 157 S HA 0.726 5.196 4.470 0.000 0.000 0.306 157 S C -0.102 174.241 174.600 -0.429 0.000 1.104 157 S CA -0.705 57.190 58.200 -0.507 0.000 0.973 157 S CB 1.278 64.147 63.200 -0.552 0.000 1.121 157 S HN 0.417 nan 8.310 nan 0.000 0.523 158 L N 1.215 122.338 121.223 -0.168 0.000 2.334 158 L HA 0.887 5.227 4.340 0.000 0.000 0.273 158 L C -0.178 176.756 176.870 0.106 0.000 1.013 158 L CA -0.657 54.166 54.840 -0.029 0.000 0.816 158 L CB 1.626 43.668 42.059 -0.029 0.000 1.278 158 L HN 0.765 nan 8.230 nan 0.000 0.431 159 A N 2.034 124.943 122.820 0.149 0.000 2.549 159 A HA 0.815 5.135 4.320 0.000 0.000 0.297 159 A C -1.406 176.296 177.584 0.196 0.000 1.061 159 A CA -0.474 51.677 52.037 0.190 0.000 0.690 159 A CB 1.985 21.133 19.000 0.246 0.000 1.287 159 A HN 0.333 nan 8.150 nan 0.000 0.402 160 V N 1.087 121.056 119.914 0.092 0.000 2.628 160 V HA 0.695 4.815 4.120 0.000 0.000 0.306 160 V C 0.761 176.639 176.094 -0.360 0.000 1.045 160 V CA -0.289 61.967 62.300 -0.074 0.000 0.905 160 V CB 1.708 33.455 31.823 -0.126 0.000 0.997 160 V HN 1.427 nan 8.190 nan 0.000 0.436 161 A N 5.686 128.050 122.820 -0.760 0.000 2.440 161 A HA 0.690 5.010 4.320 0.000 0.000 0.251 161 A C 0.089 177.362 177.584 -0.519 0.000 1.089 161 A CA -0.144 51.204 52.037 -1.148 0.000 0.779 161 A CB 0.155 18.476 19.000 -1.133 0.000 1.022 161 A HN 0.709 nan 8.150 nan 0.000 0.492 162 R N 1.003 121.261 120.500 -0.404 0.000 2.867 162 R HA 0.359 4.699 4.340 0.000 0.000 0.268 162 R C -0.909 175.305 176.300 -0.143 0.000 1.014 162 R CA -0.669 55.306 56.100 -0.208 0.000 0.946 162 R CB 0.898 31.110 30.300 -0.146 0.000 1.208 162 R HN 0.920 nan 8.270 nan 0.000 0.477 163 D N 0.558 120.908 120.400 -0.084 0.000 2.890 163 D HA -0.174 4.466 4.640 0.000 0.000 0.226 163 D C 0.864 177.154 176.300 -0.017 0.000 1.207 163 D CA 1.800 55.776 54.000 -0.041 0.000 0.764 163 D CB -0.856 39.928 40.800 -0.027 0.000 0.948 163 D HN 0.891 nan 8.370 nan 0.000 0.404 164 G N 0.810 109.606 108.800 -0.008 0.000 2.186 164 G HA2 -0.060 3.900 3.960 0.000 0.000 0.266 164 G HA3 -0.060 3.900 3.960 0.000 0.000 0.266 164 G C 1.428 176.403 174.900 0.125 0.000 0.982 164 G CA 0.987 46.118 45.100 0.052 0.000 0.670 164 G HN 1.937 nan 8.290 nan 0.000 0.533 165 G N -1.357 107.455 108.800 0.019 0.000 2.144 165 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 165 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 165 G C 0.806 175.782 174.900 0.127 0.000 0.988 165 G CA 0.977 46.104 45.100 0.045 0.000 0.659 165 G HN 0.921 nan 8.290 nan 0.000 0.522 166 R N -0.395 120.144 120.500 0.065 0.000 2.323 166 R HA 0.222 4.562 4.340 0.000 0.000 0.198 166 R C 1.112 177.451 176.300 0.065 0.000 0.988 166 R CA 0.808 56.950 56.100 0.071 0.000 1.041 166 R CB 0.289 30.615 30.300 0.043 0.000 0.926 166 R HN 0.455 nan 8.270 nan 0.000 0.476 167 R N -0.278 120.234 120.500 0.019 0.000 2.664 167 R HA 0.222 4.562 4.340 0.000 0.000 0.266 167 R C -1.929 174.315 176.300 -0.092 0.000 1.046 167 R CA -0.561 55.560 56.100 0.034 0.000 0.885 167 R CB 1.147 31.450 30.300 0.004 0.000 1.254 167 R HN -0.098 nan 8.270 nan 0.000 0.465 168 F N 1.977 121.900 119.950 -0.044 0.000 2.496 168 F HA 0.326 4.853 4.527 -0.000 0.000 0.341 168 F C -0.574 175.183 175.800 -0.071 0.000 1.134 168 F CA -0.576 57.379 58.000 -0.075 0.000 0.968 168 F CB 1.816 40.747 39.000 -0.114 0.000 1.205 168 F HN 0.326 nan 8.300 nan 0.000 0.436 169 D N 4.312 124.731 120.400 0.033 0.000 2.249 169 D HA 0.185 4.825 4.640 0.000 0.000 0.246 169 D C -0.177 176.156 176.300 0.055 0.000 1.114 169 D CA -0.426 53.588 54.000 0.023 0.000 0.854 169 D CB 1.244 42.031 40.800 -0.021 0.000 1.132 169 D HN 0.372 nan 8.370 nan 0.000 0.461 170 K N 1.564 122.002 120.400 0.062 0.000 2.401 170 K HA 0.181 4.501 4.320 0.000 0.000 0.278 170 K C 0.382 177.011 176.600 0.048 0.000 1.018 170 K CA -0.309 56.033 56.287 0.092 0.000 0.981 170 K CB 0.834 33.393 32.500 0.099 0.000 0.933 170 K HN 0.265 nan 8.250 nan 0.000 0.477 171 L N 2.092 123.340 121.223 0.041 0.000 2.456 171 L HA -0.021 4.319 4.340 0.000 0.000 0.272 171 L C 0.649 177.522 176.870 0.005 0.000 1.189 171 L CA -0.144 54.701 54.840 0.009 0.000 0.846 171 L CB 0.257 42.314 42.059 -0.003 0.000 1.111 171 L HN 0.642 nan 8.230 nan 0.000 0.475 172 D N 2.704 123.103 120.400 -0.003 0.000 2.600 172 D HA 0.204 4.844 4.640 0.000 0.000 0.226 172 D C -0.424 175.872 176.300 -0.007 0.000 1.119 172 D CA 0.042 54.039 54.000 -0.004 0.000 1.051 172 D CB 0.034 40.830 40.800 -0.006 0.000 1.106 172 D HN 0.498 nan 8.370 nan 0.000 0.491 173 Q N -0.621 119.173 119.800 -0.009 0.000 2.907 173 Q HA 0.531 4.871 4.340 0.000 0.000 0.310 173 Q C -0.086 175.902 176.000 -0.020 0.000 0.861 173 Q CA -1.071 54.725 55.803 -0.013 0.000 0.769 173 Q CB -0.066 28.663 28.738 -0.015 0.000 1.465 173 Q HN 0.023 nan 8.270 nan 0.000 0.449 174 G N 0.312 109.101 108.800 -0.020 0.000 2.653 174 G HA2 0.571 4.531 3.960 0.000 0.000 0.265 174 G HA3 0.571 4.531 3.960 0.000 0.000 0.265 174 G C -2.214 172.657 174.900 -0.049 0.000 1.237 174 G CA -1.168 43.915 45.100 -0.028 0.000 0.946 174 G HN 0.667 nan 8.290 nan 0.000 0.522 175 P HA 0.004 nan 4.420 nan 0.000 0.268 175 P C 1.181 178.440 177.300 -0.068 0.000 1.208 175 P CA 0.052 63.091 63.100 -0.103 0.000 0.777 175 P CB 1.097 32.736 31.700 -0.103 0.000 0.875 176 V N -0.186 119.675 119.914 -0.088 0.000 3.129 176 V HA 0.158 4.278 4.120 0.000 0.000 0.259 176 V C 1.093 177.200 176.094 0.023 0.000 1.116 176 V CA 0.969 63.262 62.300 -0.010 0.000 1.127 176 V CB -0.732 31.136 31.823 0.075 0.000 0.742 176 V HN 0.326 nan 8.190 nan 0.000 0.474 177 I N 1.057 121.583 120.570 -0.074 0.000 2.623 177 I HA 0.537 4.707 4.170 0.000 0.000 0.275 177 I C 1.047 177.164 176.117 0.001 0.000 1.108 177 I CA -0.145 61.126 61.300 -0.048 0.000 1.120 177 I CB 1.431 39.290 38.000 -0.235 0.000 1.249 177 I HN 0.082 nan 8.210 nan 0.000 0.500 178 A N 3.259 126.095 122.820 0.027 0.000 2.235 178 A HA 0.100 4.420 4.320 0.000 0.000 0.208 178 A C 0.330 177.913 177.584 -0.001 0.000 1.172 178 A CA 0.887 52.934 52.037 0.017 0.000 0.786 178 A CB -0.209 18.804 19.000 0.021 0.000 0.804 178 A HN 0.664 nan 8.150 nan 0.000 0.479 179 D N -2.381 118.000 120.400 -0.031 0.000 2.648 179 D HA 0.366 5.006 4.640 0.000 0.000 0.244 179 D C -0.559 175.476 176.300 -0.443 0.000 1.244 179 D CA -0.609 53.260 54.000 -0.218 0.000 0.772 179 D CB 0.619 41.275 40.800 -0.239 0.000 1.379 179 D HN 0.338 nan 8.370 nan 0.000 0.428 180 H N -0.724 117.925 119.070 -0.700 0.000 2.639 180 H HA 0.572 5.128 4.556 0.000 0.000 0.373 180 H C -2.342 172.530 175.328 -0.760 0.000 1.372 180 H CA -1.559 53.599 56.048 -1.484 0.000 1.448 180 H CB -1.027 27.848 29.762 -1.479 0.000 1.544 180 H HN 0.049 nan 8.280 nan 0.000 0.615 181 P HA -0.102 nan 4.420 nan 0.000 0.263 181 P C -0.496 176.824 177.300 0.033 0.000 1.175 181 P CA 0.285 63.200 63.100 -0.308 0.000 0.761 181 P CB 0.017 31.462 31.700 -0.425 0.000 0.794 182 F N 4.245 124.164 119.950 -0.051 0.000 2.580 182 F HA 0.087 4.614 4.527 -0.000 0.000 0.398 182 F C 1.256 177.085 175.800 0.050 0.000 1.023 182 F CA 0.901 58.900 58.000 -0.002 0.000 1.188 182 F CB -0.465 38.544 39.000 0.015 0.000 1.005 182 F HN 0.649 nan 8.300 nan 0.000 0.546 183 A N 3.387 125.763 122.820 -0.740 0.000 2.816 183 A HA -0.209 4.112 4.320 0.000 0.000 0.270 183 A C -0.073 177.378 177.584 -0.222 0.000 1.413 183 A CA 0.918 52.600 52.037 -0.591 0.000 0.866 183 A CB -2.654 15.845 19.000 -0.835 0.000 1.032 183 A HN 0.710 nan 8.150 nan 0.000 0.642 184 V N 1.038 120.876 119.914 -0.127 0.000 2.383 184 V HA 0.343 4.463 4.120 0.000 0.000 0.275 184 V C 0.530 176.428 176.094 -0.327 0.000 1.036 184 V CA 0.136 62.344 62.300 -0.152 0.000 0.889 184 V CB 1.589 33.350 31.823 -0.104 0.000 0.985 184 V HN 0.461 nan 8.190 nan 0.000 0.459 185 D N 4.667 124.958 120.400 -0.182 0.000 2.600 185 D HA 0.117 4.757 4.640 0.000 0.000 0.226 185 D C 0.356 176.587 176.300 -0.115 0.000 1.119 185 D CA -0.120 53.797 54.000 -0.137 0.000 1.051 185 D CB 0.192 40.992 40.800 -0.001 0.000 1.106 185 D HN 0.460 nan 8.370 nan 0.000 0.491 186 V N 1.139 120.771 119.914 -0.470 0.000 2.872 186 V HA 0.184 4.304 4.120 0.000 0.000 0.307 186 V C 1.482 177.372 176.094 -0.340 0.000 1.072 186 V CA 0.384 62.433 62.300 -0.418 0.000 1.148 186 V CB 0.783 32.183 31.823 -0.705 0.000 0.954 186 V HN 0.433 nan 8.190 nan 0.000 0.490 187 T N 0.022 114.428 114.554 -0.247 0.000 3.054 187 T HA 0.616 4.966 4.350 0.000 0.000 0.259 187 T C 0.617 175.374 174.700 0.095 0.000 1.092 187 T CA 0.539 62.519 62.100 -0.200 0.000 1.121 187 T CB 0.054 68.804 68.868 -0.197 0.000 0.912 187 T HN 1.901 nan 8.240 nan 0.000 0.489 188 A N 0.243 123.090 122.820 0.044 0.000 2.597 188 A HA 0.657 4.977 4.320 0.000 0.000 0.292 188 A C -2.096 175.684 177.584 0.326 0.000 1.057 188 A CA -0.894 51.306 52.037 0.272 0.000 0.674 188 A CB 0.756 19.948 19.000 0.319 0.000 1.278 188 A HN 0.340 nan 8.150 nan 0.000 0.416 189 F N 1.539 121.612 119.950 0.205 0.000 3.020 189 F HA 0.506 5.033 4.527 0.000 0.000 0.389 189 F C -0.089 175.847 175.800 0.226 0.000 1.265 189 F CA -0.067 58.026 58.000 0.155 0.000 1.195 189 F CB 0.436 39.420 39.000 -0.026 0.000 2.250 189 F HN 0.895 nan 8.300 nan 0.000 0.627 190 R N 0.391 120.957 120.500 0.109 0.000 2.810 190 R HA 0.661 5.001 4.340 0.000 0.000 0.266 190 R C -1.321 175.027 176.300 0.080 0.000 1.061 190 R CA -0.790 55.366 56.100 0.093 0.000 0.943 190 R CB 0.843 31.334 30.300 0.318 0.000 1.237 190 R HN 0.071 nan 8.270 nan 0.000 0.459 191 D N -0.086 120.374 120.400 0.100 0.000 2.737 191 D HA -0.073 4.567 4.640 0.000 0.000 0.243 191 D C -2.327 174.038 176.300 0.108 0.000 1.109 191 D CA 0.599 54.663 54.000 0.107 0.000 0.702 191 D CB -1.086 39.786 40.800 0.119 0.000 1.068 191 D HN 0.518 nan 8.370 nan 0.000 0.432 192 P HA 0.189 nan 4.420 nan 0.000 0.265 192 P C -0.409 176.994 177.300 0.171 0.000 1.193 192 P CA -0.049 63.074 63.100 0.038 0.000 0.765 192 P CB 0.406 32.023 31.700 -0.137 0.000 0.823 193 F N 4.525 124.549 119.950 0.123 0.000 2.539 193 F HA 0.380 4.907 4.527 -0.000 0.000 0.318 193 F C -0.671 175.338 175.800 0.349 0.000 1.135 193 F CA -0.923 57.206 58.000 0.214 0.000 0.915 193 F CB 1.607 40.752 39.000 0.242 0.000 1.176 193 F HN 0.212 nan 8.300 nan 0.000 0.440 194 V N 4.578 124.336 119.914 -0.259 0.000 2.612 194 V HA 0.850 4.970 4.120 0.000 0.000 0.301 194 V C -0.969 175.338 176.094 0.355 0.000 1.046 194 V CA -0.698 61.659 62.300 0.094 0.000 0.946 194 V CB 1.224 33.009 31.823 -0.063 0.000 1.003 194 V HN 0.877 nan 8.190 nan 0.000 0.459 195 F N 0.808 121.115 119.950 0.596 0.000 2.770 195 F HA 0.852 5.379 4.527 -0.000 0.000 0.313 195 F C -0.861 175.244 175.800 0.508 0.000 1.154 195 F CA -1.384 56.986 58.000 0.617 0.000 0.923 195 F CB 1.513 40.916 39.000 0.671 0.000 1.301 195 F HN 0.549 nan 8.300 nan 0.000 0.449 196 R N 0.763 121.468 120.500 0.343 0.000 2.832 196 R HA 0.794 5.134 4.340 0.000 0.000 0.271 196 R C -1.386 174.955 176.300 0.068 0.000 0.996 196 R CA -1.316 54.850 56.100 0.111 0.000 0.977 196 R CB 2.036 32.284 30.300 -0.088 0.000 1.168 196 R HN 0.805 nan 8.270 nan 0.000 0.482 197 S N 0.093 115.714 115.700 -0.132 0.000 2.626 197 S HA 0.363 4.833 4.470 0.000 0.000 0.275 197 S C 0.127 174.193 174.600 -0.889 0.000 1.175 197 S CA -0.220 57.544 58.200 -0.726 0.000 0.982 197 S CB 1.572 64.460 63.200 -0.521 0.000 1.093 197 S HN 0.745 nan 8.310 nan 0.000 0.472 198 A N 5.240 127.043 122.820 -1.695 0.000 1.877 198 A HA -0.032 4.288 4.320 0.000 0.000 0.216 198 A C 2.243 179.385 177.584 -0.736 0.000 1.186 198 A CA 1.093 51.976 52.037 -1.924 0.000 0.620 198 A CB -0.562 17.447 19.000 -1.652 0.000 0.822 198 A HN 0.744 nan 8.150 nan 0.000 0.443 199 R N -0.112 120.073 120.500 -0.526 0.000 2.094 199 R HA -0.121 4.219 4.340 0.000 0.000 0.239 199 R C 2.118 178.333 176.300 -0.141 0.000 1.137 199 R CA 1.841 57.802 56.100 -0.232 0.000 0.943 199 R CB -1.064 29.164 30.300 -0.120 0.000 0.850 199 R HN 0.612 nan 8.270 nan 0.000 0.433 200 L N 0.540 121.660 121.223 -0.171 0.000 2.017 200 L HA -0.231 4.109 4.340 0.000 0.000 0.208 200 L C 2.143 179.042 176.870 0.048 0.000 1.073 200 L CA 1.585 56.357 54.840 -0.112 0.000 0.745 200 L CB -0.618 41.149 42.059 -0.485 0.000 0.894 200 L HN 0.157 nan 8.230 nan 0.000 0.432 201 D N -0.292 120.162 120.400 0.089 0.000 2.104 201 D HA -0.172 4.468 4.640 0.000 0.000 0.194 201 D C 2.283 178.645 176.300 0.102 0.000 0.994 201 D CA 1.220 55.329 54.000 0.181 0.000 0.830 201 D CB -0.401 40.551 40.800 0.253 0.000 0.959 201 D HN 0.075 nan 8.370 nan 0.000 0.452 202 V N 1.124 121.060 119.914 0.036 0.000 2.233 202 V HA -0.244 3.876 4.120 0.000 0.000 0.247 202 V C 2.715 178.832 176.094 0.038 0.000 1.050 202 V CA 1.319 63.640 62.300 0.036 0.000 1.010 202 V CB -0.624 31.198 31.823 -0.001 0.000 0.637 202 V HN 0.215 nan 8.190 nan 0.000 0.444 203 L N -0.705 120.535 121.223 0.029 0.000 2.129 203 L HA -0.210 4.130 4.340 0.000 0.000 0.212 203 L C 2.103 179.006 176.870 0.055 0.000 1.087 203 L CA 1.464 56.327 54.840 0.039 0.000 0.757 203 L CB -0.436 41.648 42.059 0.043 0.000 0.896 203 L HN 0.338 nan 8.230 nan 0.000 0.434 204 L N -1.004 120.264 121.223 0.075 0.000 2.612 204 L HA 0.019 4.359 4.340 0.000 0.000 0.230 204 L C 2.022 178.929 176.870 0.062 0.000 1.140 204 L CA 0.353 55.240 54.840 0.080 0.000 0.896 204 L CB -0.121 42.009 42.059 0.119 0.000 1.065 204 L HN 0.301 nan 8.230 nan 0.000 0.447 205 S N -1.755 113.978 115.700 0.055 0.000 2.524 205 S HA 0.257 4.727 4.470 0.000 0.000 0.222 205 S C 0.717 175.338 174.600 0.034 0.000 1.040 205 S CA -0.422 57.805 58.200 0.045 0.000 0.915 205 S CB 0.180 63.412 63.200 0.053 0.000 0.831 205 S HN 0.132 nan 8.310 nan 0.000 0.492 206 L N 1.968 123.212 121.223 0.034 0.000 2.488 206 L HA 0.450 4.790 4.340 0.000 0.000 0.249 206 L C 0.467 177.351 176.870 0.023 0.000 1.151 206 L CA -0.958 53.898 54.840 0.026 0.000 0.806 206 L CB 0.192 42.266 42.059 0.025 0.000 1.261 206 L HN 0.167 nan 8.230 nan 0.000 0.484 207 D N 0.185 120.596 120.400 0.019 0.000 2.380 207 D HA -0.034 4.606 4.640 0.000 0.000 0.254 207 D C 1.012 177.322 176.300 0.017 0.000 1.288 207 D CA -0.135 53.875 54.000 0.016 0.000 1.008 207 D CB 0.532 41.340 40.800 0.013 0.000 1.099 207 D HN 0.567 nan 8.370 nan 0.000 0.537 208 E N 0.266 120.475 120.200 0.015 0.000 2.216 208 E HA -0.153 4.197 4.350 0.000 0.000 0.192 208 E C 0.916 177.523 176.600 0.012 0.000 0.988 208 E CA 1.241 57.650 56.400 0.015 0.000 0.834 208 E CB -0.126 29.582 29.700 0.013 0.000 0.772 208 E HN 0.488 nan 8.360 nan 0.000 0.479 209 E N 0.454 120.660 120.200 0.010 0.000 2.290 209 E HA 0.055 4.405 4.350 0.000 0.000 0.197 209 E C 2.162 178.768 176.600 0.009 0.000 0.948 209 E CA 0.498 56.903 56.400 0.008 0.000 0.895 209 E CB 0.479 30.183 29.700 0.007 0.000 0.865 209 E HN 0.037 nan 8.360 nan 0.000 0.486 210 V N 1.411 121.331 119.914 0.010 0.000 2.626 210 V HA -0.154 3.966 4.120 0.000 0.000 0.252 210 V C 2.031 178.132 176.094 0.012 0.000 1.067 210 V CA 1.747 64.053 62.300 0.011 0.000 1.081 210 V CB -0.372 31.458 31.823 0.013 0.000 0.686 210 V HN 0.253 nan 8.190 nan 0.000 0.468 211 A N -0.809 122.019 122.820 0.014 0.000 2.307 211 A HA 0.115 4.435 4.320 0.000 0.000 0.218 211 A C 2.119 179.709 177.584 0.010 0.000 1.228 211 A CA 0.080 52.126 52.037 0.015 0.000 0.857 211 A CB -0.185 18.827 19.000 0.020 0.000 0.897 211 A HN 0.334 nan 8.150 nan 0.000 0.495 212 R N 1.250 121.755 120.500 0.007 0.000 2.128 212 R HA 0.019 4.359 4.340 0.000 0.000 0.211 212 R C -0.018 176.283 176.300 0.001 0.000 1.067 212 R CA 0.523 56.625 56.100 0.003 0.000 1.010 212 R CB -0.560 29.742 30.300 0.003 0.000 0.922 212 R HN 0.738 nan 8.270 nan 0.000 0.457 213 N N 2.184 120.886 118.700 0.002 0.000 2.415 213 N HA 0.013 4.753 4.740 0.000 0.000 0.246 213 N C 0.045 175.556 175.510 0.002 0.000 1.078 213 N CA 0.037 53.087 53.050 0.001 0.000 0.942 213 N CB 1.211 39.700 38.487 0.003 0.000 1.140 213 N HN 0.076 nan 8.380 nan 0.000 0.501 214 E N 1.219 121.418 120.200 -0.001 0.000 2.284 214 E HA -0.205 4.145 4.350 0.000 0.000 0.200 214 E C 0.773 177.374 176.600 0.002 0.000 1.008 214 E CA 1.748 58.147 56.400 -0.001 0.000 0.829 214 E CB -0.008 29.689 29.700 -0.004 0.000 0.744 214 E HN 0.692 nan 8.360 nan 0.000 0.491 215 T N 1.139 115.694 114.554 0.003 0.000 2.542 215 T HA -0.201 4.149 4.350 0.000 0.000 0.257 215 T C 2.105 176.809 174.700 0.007 0.000 1.111 215 T CA 1.374 63.477 62.100 0.005 0.000 1.203 215 T CB -0.551 68.320 68.868 0.005 0.000 0.866 215 T HN 0.312 nan 8.240 nan 0.000 0.399 216 A N 0.823 123.648 122.820 0.008 0.000 2.032 216 A HA -0.091 4.229 4.320 0.000 0.000 0.221 216 A C 2.551 180.142 177.584 0.013 0.000 1.165 216 A CA 1.520 53.563 52.037 0.011 0.000 0.645 216 A CB -1.163 17.843 19.000 0.011 0.000 0.807 216 A HN 0.378 nan 8.150 nan 0.000 0.453 217 V N -0.655 119.265 119.914 0.010 0.000 2.453 217 V HA -0.225 3.895 4.120 0.000 0.000 0.247 217 V C 2.641 178.739 176.094 0.007 0.000 1.048 217 V CA 2.123 64.428 62.300 0.009 0.000 1.049 217 V CB -0.654 31.171 31.823 0.004 0.000 0.672 217 V HN 0.675 nan 8.190 nan 0.000 0.457 218 Q N 0.219 120.022 119.800 0.006 0.000 2.124 218 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 218 Q C 2.159 178.169 176.000 0.017 0.000 0.977 218 Q CA 1.727 57.535 55.803 0.007 0.000 0.850 218 Q CB -0.327 28.415 28.738 0.007 0.000 0.901 218 Q HN 0.605 nan 8.270 nan 0.000 0.429 219 Q N -0.211 119.601 119.800 0.020 0.000 2.061 219 Q HA -0.098 4.242 4.340 0.000 0.000 0.204 219 Q C 1.989 178.012 176.000 0.038 0.000 0.984 219 Q CA 2.105 57.924 55.803 0.026 0.000 0.846 219 Q CB -0.769 27.983 28.738 0.022 0.000 0.902 219 Q HN 0.505 nan 8.270 nan 0.000 0.421 220 A N -0.334 122.509 122.820 0.039 0.000 1.902 220 A HA -0.160 4.160 4.320 0.000 0.000 0.217 220 A C 2.310 179.944 177.584 0.083 0.000 1.181 220 A CA 1.625 53.696 52.037 0.057 0.000 0.623 220 A CB -0.847 18.183 19.000 0.050 0.000 0.818 220 A HN 0.234 nan 8.150 nan 0.000 0.443 221 V N 0.912 120.856 119.914 0.050 0.000 2.332 221 V HA -0.270 3.850 4.120 0.000 0.000 0.248 221 V C 2.021 178.177 176.094 0.103 0.000 1.055 221 V CA 2.308 64.631 62.300 0.038 0.000 1.038 221 V CB -0.908 30.897 31.823 -0.030 0.000 0.651 221 V HN 0.511 nan 8.190 nan 0.000 0.450 222 D N 0.729 121.175 120.400 0.078 0.000 2.263 222 D HA -0.092 4.548 4.640 0.000 0.000 0.208 222 D C 2.026 178.389 176.300 0.105 0.000 0.971 222 D CA 1.514 55.564 54.000 0.083 0.000 0.867 222 D CB -0.333 40.499 40.800 0.053 0.000 0.929 222 D HN 0.535 nan 8.370 nan 0.000 0.492 223 G N -0.778 108.090 108.800 0.114 0.000 2.986 223 G HA2 -0.033 3.927 3.960 0.000 0.000 0.213 223 G HA3 -0.033 3.927 3.960 0.000 0.000 0.213 223 G C 0.181 175.159 174.900 0.130 0.000 1.156 223 G CA -0.615 44.543 45.100 0.096 0.000 0.763 223 G HN 0.129 nan 8.290 nan 0.000 0.547 224 W N 2.066 123.356 121.300 -0.016 0.000 2.187 224 W HA 0.399 5.059 4.660 -0.000 0.000 0.348 224 W C -0.417 176.086 176.519 -0.026 0.000 1.282 224 W CA 0.643 57.973 57.345 -0.025 0.000 1.271 224 W CB 0.703 30.143 29.460 -0.033 0.000 1.170 224 W HN -0.139 nan 8.180 nan 0.000 0.583 225 T N 5.413 119.421 114.554 -0.911 0.000 3.031 225 T HA 0.029 4.379 4.350 0.000 0.000 0.305 225 T C 0.598 174.434 174.700 -1.438 0.000 0.985 225 T CA -0.608 60.971 62.100 -0.869 0.000 1.008 225 T CB 1.551 70.158 68.868 -0.436 0.000 1.005 225 T HN 0.668 nan 8.240 nan 0.000 0.444 226 E N 2.902 122.264 120.200 -1.398 0.000 2.153 226 E HA -0.158 4.192 4.350 0.000 0.000 0.194 226 E C 1.563 177.855 176.600 -0.514 0.000 0.988 226 E CA 1.279 57.052 56.400 -1.045 0.000 0.811 226 E CB 0.151 29.614 29.700 -0.395 0.000 0.746 226 E HN 0.511 nan 8.360 nan 0.000 0.466 227 K N 0.584 120.761 120.400 -0.372 0.000 2.059 227 K HA -0.193 4.127 4.320 0.000 0.000 0.212 227 K C 1.570 178.058 176.600 -0.187 0.000 1.050 227 K CA 1.726 57.890 56.287 -0.205 0.000 0.927 227 K CB -0.280 32.128 32.500 -0.154 0.000 0.714 227 K HN 0.309 nan 8.250 nan 0.000 0.447 228 N N -0.170 118.381 118.700 -0.248 0.000 2.238 228 N HA 0.090 4.830 4.740 0.000 0.000 0.222 228 N C -0.451 174.929 175.510 -0.216 0.000 1.133 228 N CA -0.111 52.827 53.050 -0.187 0.000 0.854 228 N CB 0.463 38.857 38.487 -0.154 0.000 1.041 228 N HN -0.021 nan 8.380 nan 0.000 0.510 229 A N 2.306 124.948 122.820 -0.296 0.000 2.388 229 A HA 0.417 4.737 4.320 0.000 0.000 0.257 229 A C -2.106 175.341 177.584 -0.228 0.000 1.095 229 A CA -1.091 50.833 52.037 -0.189 0.000 0.791 229 A CB 0.148 19.112 19.000 -0.059 0.000 1.029 229 A HN 0.195 nan 8.150 nan 0.000 0.489 230 P HA 0.131 nan 4.420 nan 0.000 0.274 230 P C -1.058 176.034 177.300 -0.347 0.000 1.237 230 P CA -0.233 62.707 63.100 -0.267 0.000 0.793 230 P CB 0.507 32.035 31.700 -0.286 0.000 0.977 231 W N 0.774 121.954 121.300 -0.201 0.000 2.376 231 W HA 0.357 5.017 4.660 0.000 0.000 0.322 231 W C 0.011 176.404 176.519 -0.211 0.000 1.160 231 W CA 0.147 57.448 57.345 -0.073 0.000 1.218 231 W CB 0.463 30.025 29.460 0.170 0.000 1.205 231 W HN 0.305 nan 8.180 nan 0.000 0.559 232 Y N 1.181 121.496 120.300 0.026 0.000 2.457 232 Y HA 0.605 5.155 4.550 0.000 0.000 0.333 232 Y C -0.066 175.800 175.900 -0.056 0.000 1.119 232 Y CA -1.123 56.846 58.100 -0.219 0.000 1.143 232 Y CB 1.386 39.225 38.460 -1.036 0.000 1.230 232 Y HN -0.052 nan 8.280 nan 0.000 0.469 233 V N 2.253 122.352 119.914 0.308 0.000 2.525 233 V HA 0.702 4.822 4.120 0.000 0.000 0.299 233 V C -0.600 175.761 176.094 0.444 0.000 1.034 233 V CA -1.068 61.416 62.300 0.306 0.000 0.863 233 V CB 1.350 33.197 31.823 0.041 0.000 0.999 233 V HN 0.858 nan 8.190 nan 0.000 0.423 234 A N 4.845 127.974 122.820 0.515 0.000 2.276 234 A HA 0.865 5.185 4.320 0.000 0.000 0.316 234 A C -0.595 177.223 177.584 0.389 0.000 1.229 234 A CA -0.481 51.833 52.037 0.461 0.000 0.851 234 A CB 1.173 20.441 19.000 0.446 0.000 1.165 234 A HN 0.708 nan 8.150 nan 0.000 0.513 235 V N 2.178 122.343 119.914 0.418 0.000 2.513 235 V HA 0.501 4.621 4.120 0.000 0.000 0.299 235 V C 0.314 176.658 176.094 0.416 0.000 1.035 235 V CA -0.484 61.985 62.300 0.282 0.000 0.889 235 V CB 1.900 33.756 31.823 0.054 0.000 0.988 235 V HN 0.894 nan 8.190 nan 0.000 0.440 236 S N 2.175 118.062 115.700 0.310 0.000 2.525 236 S HA 0.923 5.393 4.470 0.000 0.000 0.290 236 S C 0.510 175.342 174.600 0.386 0.000 1.152 236 S CA 0.265 58.657 58.200 0.320 0.000 1.072 236 S CB 1.713 65.051 63.200 0.229 0.000 1.027 236 S HN 1.280 nan 8.310 nan 0.000 0.500 237 G N 0.777 109.778 108.800 0.335 0.000 2.586 237 G HA2 0.642 4.602 3.960 0.000 0.000 0.105 237 G HA3 0.642 4.602 3.960 0.000 0.000 0.105 237 G C -0.424 174.514 174.900 0.063 0.000 1.129 237 G CA 0.111 45.407 45.100 0.328 0.000 1.127 237 G HN 1.208 nan 8.290 nan 0.000 0.532 238 G N -2.116 106.753 108.800 0.114 0.000 2.342 238 G HA2 0.598 4.558 3.960 0.000 0.000 0.297 238 G HA3 0.598 4.558 3.960 0.000 0.000 0.297 238 G C -2.151 172.750 174.900 0.002 0.000 1.313 238 G CA 0.352 45.379 45.100 -0.121 0.000 0.830 238 G HN 1.420 nan 8.290 nan 0.000 0.506 239 V N 1.360 121.217 119.914 -0.094 0.000 2.483 239 V HA 0.411 4.531 4.120 0.000 0.000 0.297 239 V C -0.213 175.847 176.094 -0.056 0.000 1.027 239 V CA -1.041 61.232 62.300 -0.044 0.000 0.855 239 V CB 1.330 33.155 31.823 0.003 0.000 0.995 239 V HN 0.744 nan 8.190 nan 0.000 0.424 240 H N 3.209 122.285 119.070 0.011 0.000 3.140 240 H HA 0.051 4.607 4.556 0.000 0.000 0.316 240 H C 1.476 176.824 175.328 0.033 0.000 0.986 240 H CA 1.921 58.001 56.048 0.052 0.000 1.397 240 H CB 0.656 30.450 29.762 0.052 0.000 1.377 240 H HN 1.124 nan 8.280 nan 0.000 0.585 241 G N 2.556 111.459 108.800 0.172 0.000 2.166 241 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 241 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 241 G C 0.753 175.671 174.900 0.032 0.000 0.986 241 G CA 0.692 45.854 45.100 0.103 0.000 0.683 241 G HN 0.509 nan 8.290 nan 0.000 0.527 242 V N -1.317 118.591 119.914 -0.011 0.000 3.161 242 V HA 0.766 4.886 4.120 0.000 0.000 0.221 242 V C 1.323 177.332 176.094 -0.141 0.000 1.296 242 V CA 1.403 63.665 62.300 -0.062 0.000 1.306 242 V CB 0.541 32.332 31.823 -0.053 0.000 1.171 242 V HN 1.876 nan 8.190 nan 0.000 0.513 243 G N 0.670 109.352 108.800 -0.197 0.000 2.352 243 G HA2 0.276 4.236 3.960 0.000 0.000 0.302 243 G HA3 0.276 4.236 3.960 0.000 0.000 0.302 243 G C -3.382 171.240 174.900 -0.464 0.000 1.370 243 G CA -0.418 44.481 45.100 -0.334 0.000 0.918 243 G HN 0.112 nan 8.290 nan 0.000 0.610 244 P HA 0.539 nan 4.420 nan 0.000 0.272 244 P C -0.064 176.494 177.300 -1.237 0.000 1.230 244 P CA 0.697 63.152 63.100 -1.074 0.000 0.788 244 P CB 1.734 32.449 31.700 -1.641 0.000 0.949 245 A N 1.118 123.321 122.820 -1.028 0.000 2.540 245 A HA 0.464 4.784 4.320 0.000 0.000 0.291 245 A C -1.677 175.689 177.584 -0.364 0.000 1.083 245 A CA -0.614 51.005 52.037 -0.696 0.000 0.650 245 A CB 1.051 19.671 19.000 -0.634 0.000 1.292 245 A HN 0.517 nan 8.150 nan 0.000 0.435 246 Q N 0.002 119.682 119.800 -0.200 0.000 2.340 246 Q HA 0.598 4.938 4.340 0.000 0.000 0.268 246 Q C -1.833 174.227 176.000 0.100 0.000 1.031 246 Q CA -0.282 55.583 55.803 0.103 0.000 0.804 246 Q CB 2.162 31.228 28.738 0.546 0.000 1.286 246 Q HN 0.527 nan 8.270 nan 0.000 0.448 247 F N 2.068 122.327 119.950 0.516 0.000 2.405 247 F HA 0.336 4.863 4.527 0.000 0.000 0.355 247 F C -0.184 175.916 175.800 0.501 0.000 1.121 247 F CA -0.860 57.487 58.000 0.578 0.000 1.112 247 F CB 0.662 40.090 39.000 0.712 0.000 1.126 247 F HN 0.305 nan 8.300 nan 0.000 0.481 248 L N 5.333 126.815 121.223 0.432 0.000 2.295 248 L HA 0.559 4.899 4.340 0.000 0.000 0.285 248 L C -1.410 175.537 176.870 0.128 0.000 1.035 248 L CA -0.698 54.268 54.840 0.210 0.000 0.806 248 L CB 0.418 42.423 42.059 -0.089 0.000 1.214 248 L HN 0.500 nan 8.230 nan 0.000 0.426 249 Y N 3.679 124.200 120.300 0.368 0.000 2.634 249 Y HA 0.789 5.339 4.550 0.000 0.000 0.340 249 Y C -0.364 175.742 175.900 0.343 0.000 1.058 249 Y CA -1.024 57.315 58.100 0.399 0.000 1.081 249 Y CB 1.838 40.556 38.460 0.431 0.000 1.295 249 Y HN 0.603 nan 8.280 nan 0.000 0.487 250 R N -0.110 120.676 120.500 0.477 0.000 2.629 250 R HA 0.384 4.724 4.340 0.000 0.000 0.266 250 R C -1.899 174.449 176.300 0.080 0.000 1.051 250 R CA -1.094 55.109 56.100 0.171 0.000 0.895 250 R CB 1.205 31.311 30.300 -0.323 0.000 1.246 250 R HN 0.682 nan 8.270 nan 0.000 0.459 251 Q N 2.012 121.666 119.800 -0.244 0.000 2.398 251 Q HA -0.110 4.230 4.340 0.000 0.000 0.329 251 Q C -0.312 175.475 176.000 -0.354 0.000 1.079 251 Q CA 0.497 55.892 55.803 -0.682 0.000 1.041 251 Q CB 0.187 28.503 28.738 -0.703 0.000 1.084 251 Q HN 0.445 nan 8.270 nan 0.000 0.386 252 N N 1.330 119.849 118.700 -0.303 0.000 2.219 252 N HA -0.072 4.668 4.740 0.000 0.000 0.263 252 N C 0.815 176.249 175.510 -0.127 0.000 1.269 252 N CA 1.654 54.633 53.050 -0.119 0.000 0.831 252 N CB 0.210 38.670 38.487 -0.044 0.000 1.059 252 N HN 0.773 nan 8.380 nan 0.000 0.475 253 G N 2.276 111.031 108.800 -0.075 0.000 2.187 253 G HA2 -0.217 3.743 3.960 0.000 0.000 0.261 253 G HA3 -0.217 3.743 3.960 0.000 0.000 0.261 253 G C 0.918 175.763 174.900 -0.092 0.000 1.000 253 G CA 0.805 45.863 45.100 -0.069 0.000 0.718 253 G HN 1.715 nan 8.290 nan 0.000 0.519 254 G N -1.047 107.675 108.800 -0.131 0.000 2.179 254 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 254 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 254 G C 0.217 175.017 174.900 -0.168 0.000 1.010 254 G CA 0.744 45.752 45.100 -0.154 0.000 0.736 254 G HN 1.321 nan 8.290 nan 0.000 0.513 255 N N 0.710 119.291 118.700 -0.198 0.000 2.415 255 N HA 0.481 5.221 4.740 0.000 0.000 0.250 255 N C 1.512 176.852 175.510 -0.284 0.000 1.127 255 N CA 0.556 53.484 53.050 -0.204 0.000 0.945 255 N CB 0.757 39.130 38.487 -0.189 0.000 1.196 255 N HN 0.437 nan 8.380 nan 0.000 0.499 256 A N 2.648 125.332 122.820 -0.226 0.000 2.186 256 A HA -0.085 4.235 4.320 0.000 0.000 0.219 256 A C 1.780 179.172 177.584 -0.320 0.000 1.159 256 A CA 1.179 53.084 52.037 -0.220 0.000 0.680 256 A CB 0.002 18.927 19.000 -0.126 0.000 0.787 256 A HN 0.604 nan 8.150 nan 0.000 0.467 257 S N -0.915 114.601 115.700 -0.306 0.000 2.535 257 S HA 0.095 4.565 4.470 0.000 0.000 0.214 257 S C 0.506 174.837 174.600 -0.449 0.000 0.980 257 S CA 0.003 58.036 58.200 -0.279 0.000 0.907 257 S CB 0.086 63.224 63.200 -0.104 0.000 0.790 257 S HN 0.626 nan 8.310 nan 0.000 0.510 258 E N 0.733 120.582 120.200 -0.586 0.000 2.089 258 E HA 0.302 4.652 4.350 0.000 0.000 0.284 258 E C -0.419 175.667 176.600 -0.856 0.000 1.023 258 E CA -0.198 55.878 56.400 -0.539 0.000 0.819 258 E CB 0.046 29.503 29.700 -0.404 0.000 1.076 258 E HN 0.168 nan 8.360 nan 0.000 0.396 259 F N 2.617 122.421 119.950 -0.243 0.000 2.706 259 F HA 0.188 4.715 4.527 0.000 0.000 0.308 259 F C 1.812 177.593 175.800 -0.033 0.000 1.095 259 F CA -0.213 57.700 58.000 -0.145 0.000 1.244 259 F CB 0.350 39.364 39.000 0.022 0.000 1.063 259 F HN 0.447 nan 8.300 nan 0.000 0.582 260 Q N -0.085 119.661 119.800 -0.090 0.000 2.089 260 Q HA 0.032 4.372 4.340 0.000 0.000 0.195 260 Q C -0.506 175.252 176.000 -0.403 0.000 0.963 260 Q CA 1.421 57.065 55.803 -0.266 0.000 0.834 260 Q CB 0.001 28.424 28.738 -0.524 0.000 0.906 260 Q HN 0.319 nan 8.270 nan 0.000 0.452 261 Y N -0.849 119.386 120.300 -0.108 0.000 2.331 261 Y HA 0.409 4.959 4.550 -0.000 0.000 0.338 261 Y C -1.196 174.537 175.900 -0.277 0.000 0.992 261 Y CA -1.003 57.068 58.100 -0.048 0.000 1.121 261 Y CB 0.873 39.312 38.460 -0.035 0.000 1.184 261 Y HN 0.016 nan 8.280 nan 0.000 0.469 262 W N 3.217 124.649 121.300 0.219 0.000 2.424 262 W HA 0.407 5.067 4.660 -0.000 0.000 0.318 262 W C -0.373 176.348 176.519 0.338 0.000 1.016 262 W CA -1.217 56.258 57.345 0.216 0.000 1.268 262 W CB 0.885 30.440 29.460 0.158 0.000 1.297 262 W HN 0.490 nan 8.180 nan 0.000 0.428 263 E N 2.195 122.628 120.200 0.388 0.000 2.360 263 E HA 0.041 4.391 4.350 0.000 0.000 0.269 263 E C -0.914 175.950 176.600 0.440 0.000 1.022 263 E CA -0.642 55.967 56.400 0.347 0.000 0.887 263 E CB 1.008 30.811 29.700 0.172 0.000 0.990 263 E HN 0.421 nan 8.360 nan 0.000 0.426 264 Y N 4.330 124.762 120.300 0.219 0.000 2.402 264 Y HA 0.140 4.690 4.550 0.000 0.000 0.333 264 Y C 0.103 175.986 175.900 -0.029 0.000 1.076 264 Y CA -0.746 57.302 58.100 -0.087 0.000 1.299 264 Y CB 0.660 39.091 38.460 -0.048 0.000 1.197 264 Y HN 0.647 nan 8.280 nan 0.000 0.517 265 L N 5.784 126.782 121.223 -0.374 0.000 2.607 265 L HA 0.354 4.694 4.340 0.000 0.000 0.228 265 L C 1.074 177.643 176.870 -0.500 0.000 1.123 265 L CA 0.412 55.081 54.840 -0.285 0.000 0.890 265 L CB -0.611 41.431 42.059 -0.028 0.000 1.103 265 L HN 1.002 nan 8.230 nan 0.000 0.468 266 G N 0.797 108.810 108.800 -1.311 0.000 2.631 266 G HA2 -0.190 3.770 3.960 0.000 0.000 0.504 266 G HA3 -0.190 3.770 3.960 0.000 0.000 0.504 266 G C -0.517 174.328 174.900 -0.091 0.000 1.306 266 G CA -0.823 43.749 45.100 -0.879 0.000 0.897 266 G HN 0.217 nan 8.290 nan 0.000 0.520 267 E N 1.336 121.639 120.200 0.173 0.000 1.802 267 E HA 0.119 4.469 4.350 0.000 0.000 0.265 267 E C 1.340 178.108 176.600 0.281 0.000 1.168 267 E CA -0.303 56.242 56.400 0.241 0.000 1.033 267 E CB -0.001 29.773 29.700 0.124 0.000 1.095 267 E HN 0.572 nan 8.360 nan 0.000 0.436 268 W N 3.673 125.040 121.300 0.112 0.000 2.538 268 W HA -0.126 4.534 4.660 -0.000 0.000 0.254 268 W C -0.390 176.299 176.519 0.284 0.000 1.249 268 W CA 0.009 57.448 57.345 0.155 0.000 1.253 268 W CB -0.431 29.129 29.460 0.166 0.000 1.130 268 W HN 0.450 nan 8.180 nan 0.000 0.618 269 W N 3.610 124.765 121.300 -0.241 0.000 3.216 269 W HA 0.357 5.017 4.660 0.000 0.000 0.335 269 W C -1.429 174.969 176.519 -0.201 0.000 1.077 269 W CA -0.964 56.140 57.345 -0.403 0.000 1.252 269 W CB 0.536 29.549 29.460 -0.746 0.000 1.312 269 W HN -0.029 nan 8.180 nan 0.000 0.446 270 Q N 3.770 123.524 119.800 -0.076 0.000 2.418 270 Q HA 0.599 4.939 4.340 0.000 0.000 0.282 270 Q C -1.566 174.117 176.000 -0.528 0.000 1.044 270 Q CA -0.927 54.601 55.803 -0.457 0.000 0.813 270 Q CB 3.241 31.815 28.738 -0.273 0.000 1.428 270 Q HN 0.281 nan 8.270 nan 0.000 0.402 271 E N 0.602 120.392 120.200 -0.683 0.000 2.340 271 E HA 0.557 4.907 4.350 0.000 0.000 0.273 271 E C -1.059 175.323 176.600 -0.362 0.000 0.891 271 E CA -0.773 55.313 56.400 -0.523 0.000 0.757 271 E CB 2.237 31.466 29.700 -0.785 0.000 1.231 271 E HN 0.814 nan 8.360 nan 0.000 0.439 272 A N 1.534 124.234 122.820 -0.200 0.000 2.520 272 A HA 0.180 4.500 4.320 0.000 0.000 0.235 272 A C 0.255 177.702 177.584 -0.228 0.000 1.065 272 A CA 0.145 52.079 52.037 -0.171 0.000 0.764 272 A CB -0.290 18.652 19.000 -0.096 0.000 1.002 272 A HN 0.486 nan 8.150 nan 0.000 0.502 273 T N 2.924 117.321 114.554 -0.262 0.000 2.800 273 T HA 0.040 4.390 4.350 0.000 0.000 0.283 273 T C 1.041 175.445 174.700 -0.493 0.000 0.999 273 T CA 1.493 63.354 62.100 -0.398 0.000 1.176 273 T CB -0.427 68.260 68.868 -0.300 0.000 0.973 273 T HN 0.988 nan 8.240 nan 0.000 0.519 274 N N 1.581 119.858 118.700 -0.705 0.000 2.708 274 N HA -0.209 4.531 4.740 0.000 0.000 0.249 274 N C 0.297 175.640 175.510 -0.279 0.000 1.097 274 N CA 0.924 53.590 53.050 -0.640 0.000 0.710 274 N CB -1.096 36.838 38.487 -0.922 0.000 1.032 274 N HN 0.799 nan 8.380 nan 0.000 0.551 275 S N -1.737 113.887 115.700 -0.127 0.000 2.652 275 S HA 0.772 5.242 4.470 0.000 0.000 0.267 275 S C 0.383 174.974 174.600 -0.016 0.000 1.201 275 S CA 0.059 58.257 58.200 -0.003 0.000 0.996 275 S CB 1.797 65.066 63.200 0.115 0.000 1.054 275 S HN 0.904 nan 8.310 nan 0.000 0.561 276 S N -1.000 114.666 115.700 -0.058 0.000 2.570 276 S HA 0.414 4.884 4.470 0.000 0.000 0.270 276 S C -1.277 173.193 174.600 -0.217 0.000 1.149 276 S CA -0.986 56.997 58.200 -0.363 0.000 0.837 276 S CB 0.688 63.735 63.200 -0.255 0.000 1.124 276 S HN 0.954 nan 8.310 nan 0.000 0.465 277 W N 2.731 123.657 121.300 -0.624 0.000 2.303 277 W HA 0.450 5.110 4.660 -0.000 0.000 0.318 277 W C 0.480 176.918 176.519 -0.135 0.000 1.362 277 W CA 1.517 58.708 57.345 -0.256 0.000 1.234 277 W CB 0.129 29.365 29.460 -0.372 0.000 1.248 277 W HN 1.624 nan 8.180 nan 0.000 0.546 278 G N 4.827 113.174 108.800 -0.756 0.000 2.712 278 G HA2 -0.260 3.700 3.960 0.000 0.000 0.686 278 G HA3 -0.260 3.700 3.960 0.000 0.000 0.686 278 G C 0.095 174.833 174.900 -0.271 0.000 1.321 278 G CA -0.290 44.479 45.100 -0.551 0.000 0.813 278 G HN 0.602 nan 8.290 nan 0.000 0.599 279 D N 0.507 120.787 120.400 -0.201 0.000 2.378 279 D HA 0.051 4.691 4.640 0.000 0.000 0.227 279 D C 1.406 177.657 176.300 -0.082 0.000 1.012 279 D CA 1.348 55.274 54.000 -0.124 0.000 0.905 279 D CB 0.403 41.144 40.800 -0.099 0.000 0.895 279 D HN 0.708 nan 8.370 nan 0.000 0.532 280 E N -1.176 118.978 120.200 -0.076 0.000 2.767 280 E HA 0.189 4.539 4.350 0.000 0.000 0.192 280 E C 0.454 177.023 176.600 -0.052 0.000 0.938 280 E CA -0.175 56.194 56.400 -0.053 0.000 1.312 280 E CB 1.251 30.931 29.700 -0.033 0.000 1.072 280 E HN 0.069 nan 8.360 nan 0.000 0.511 281 G N 1.849 110.609 108.800 -0.066 0.000 2.366 281 G HA2 -0.327 3.633 3.960 0.000 0.000 0.299 281 G HA3 -0.327 3.633 3.960 0.000 0.000 0.299 281 G C 0.674 175.566 174.900 -0.013 0.000 1.020 281 G CA 1.161 46.227 45.100 -0.058 0.000 1.026 281 G HN 0.274 nan 8.290 nan 0.000 0.512 282 T N -1.563 112.983 114.554 -0.012 0.000 2.983 282 T HA 0.071 4.421 4.350 0.000 0.000 0.250 282 T C 1.871 176.474 174.700 -0.163 0.000 1.037 282 T CA 1.597 63.603 62.100 -0.156 0.000 1.142 282 T CB -0.031 68.644 68.868 -0.321 0.000 0.876 282 T HN 0.549 nan 8.240 nan 0.000 0.455 283 W N 1.230 122.678 121.300 0.248 0.000 2.872 283 W HA 0.595 5.255 4.660 0.000 0.000 0.266 283 W C 1.452 178.152 176.519 0.301 0.000 1.276 283 W CA -0.097 57.477 57.345 0.382 0.000 1.471 283 W CB 0.499 30.133 29.460 0.290 0.000 1.071 283 W HN 0.097 nan 8.180 nan 0.000 0.619 284 A N 0.106 123.072 122.820 0.243 0.000 2.795 284 A HA 0.651 4.971 4.320 0.000 0.000 0.282 284 A C 1.001 178.315 177.584 -0.451 0.000 0.964 284 A CA 0.235 52.116 52.037 -0.259 0.000 1.045 284 A CB -0.848 17.883 19.000 -0.449 0.000 1.174 284 A HN 0.327 nan 8.150 nan 0.000 0.493 285 G N 1.152 109.907 108.800 -0.075 0.000 2.652 285 G HA2 -0.287 3.673 3.960 0.000 0.000 0.318 285 G HA3 -0.287 3.673 3.960 0.000 0.000 0.318 285 G C 0.103 174.849 174.900 -0.256 0.000 1.295 285 G CA 0.711 45.770 45.100 -0.068 0.000 0.999 285 G HN 0.883 nan 8.290 nan 0.000 0.548 286 R N -1.513 118.812 120.500 -0.292 0.000 2.795 286 R HA 0.431 4.771 4.340 0.000 0.000 0.275 286 R C 0.595 176.714 176.300 -0.302 0.000 0.981 286 R CA -0.619 55.275 56.100 -0.343 0.000 0.917 286 R CB 1.267 31.458 30.300 -0.182 0.000 1.202 286 R HN 0.577 nan 8.270 nan 0.000 0.469 287 W N 1.108 122.365 121.300 -0.071 0.000 2.465 287 W HA 0.006 4.666 4.660 -0.000 0.000 0.268 287 W C 1.341 177.799 176.519 -0.101 0.000 1.242 287 W CA 0.808 58.151 57.345 -0.003 0.000 1.248 287 W CB 0.037 29.470 29.460 -0.045 0.000 1.118 287 W HN 1.003 nan 8.180 nan 0.000 0.587 288 G N 0.583 109.338 108.800 -0.075 0.000 2.601 288 G HA2 -0.358 3.602 3.960 0.000 0.000 0.252 288 G HA3 -0.358 3.602 3.960 0.000 0.000 0.252 288 G C -0.140 174.405 174.900 -0.591 0.000 1.294 288 G CA 0.329 45.268 45.100 -0.269 0.000 0.912 288 G HN 0.202 nan 8.290 nan 0.000 0.574 289 F N 1.061 120.629 119.950 -0.636 0.000 2.721 289 F HA 0.425 4.952 4.527 0.000 0.000 0.301 289 F C 1.073 176.425 175.800 -0.746 0.000 1.096 289 F CA 0.603 58.082 58.000 -0.868 0.000 1.308 289 F CB 0.632 38.567 39.000 -1.775 0.000 1.086 289 F HN 0.576 nan 8.300 nan 0.000 0.587 290 N N -1.005 117.439 118.700 -0.427 0.000 2.516 290 N HA 0.258 4.998 4.740 0.000 0.000 0.268 290 N C -1.709 173.811 175.510 0.017 0.000 1.096 290 N CA -0.406 52.498 53.050 -0.243 0.000 0.954 290 N CB 0.981 39.400 38.487 -0.113 0.000 1.676 290 N HN -0.289 nan 8.380 nan 0.000 0.490 291 F N 1.297 121.186 119.950 -0.101 0.000 2.399 291 F HA 0.540 5.067 4.527 0.000 0.000 0.334 291 F C 0.627 176.435 175.800 0.015 0.000 1.097 291 F CA -0.437 57.517 58.000 -0.078 0.000 1.076 291 F CB 1.204 40.100 39.000 -0.173 0.000 1.162 291 F HN 0.388 nan 8.300 nan 0.000 0.495 292 E N -0.640 119.681 120.200 0.202 0.000 2.393 292 E HA 0.333 4.683 4.350 0.000 0.000 0.273 292 E C -0.667 175.939 176.600 0.010 0.000 0.918 292 E CA -0.839 55.641 56.400 0.132 0.000 0.773 292 E CB 2.064 31.871 29.700 0.179 0.000 1.275 292 E HN 0.629 nan 8.360 nan 0.000 0.451 293 T N -1.456 113.112 114.554 0.023 0.000 3.639 293 T HA -0.197 4.153 4.350 0.000 0.000 0.386 293 T C 0.273 174.944 174.700 -0.048 0.000 0.764 293 T CA 0.325 62.421 62.100 -0.006 0.000 1.954 293 T CB -2.114 66.713 68.868 -0.067 0.000 1.755 293 T HN 0.692 nan 8.240 nan 0.000 0.715 294 G N 0.961 109.755 108.800 -0.009 0.000 2.380 294 G HA2 0.534 4.495 3.960 0.000 0.000 0.262 294 G HA3 0.534 4.495 3.960 0.000 0.000 0.262 294 G C -0.215 174.551 174.900 -0.222 0.000 1.243 294 G CA -0.705 44.348 45.100 -0.079 0.000 0.865 294 G HN 0.596 nan 8.290 nan 0.000 0.513 295 N N 0.202 118.621 118.700 -0.469 0.000 2.284 295 N HA 0.499 5.239 4.740 0.000 0.000 0.300 295 N C -0.727 174.268 175.510 -0.859 0.000 1.047 295 N CA -0.502 51.835 53.050 -1.189 0.000 0.821 295 N CB 2.428 40.413 38.487 -0.837 0.000 1.337 295 N HN 0.225 nan 8.380 nan 0.000 0.482 296 V N 2.752 122.124 119.914 -0.903 0.000 2.370 296 V HA 0.524 4.644 4.120 0.000 0.000 0.283 296 V C -0.569 175.183 176.094 -0.571 0.000 1.023 296 V CA -0.652 61.213 62.300 -0.725 0.000 0.857 296 V CB 0.816 31.883 31.823 -1.260 0.000 0.985 296 V HN 0.399 nan 8.190 nan 0.000 0.443 297 L N 4.774 125.562 121.223 -0.726 0.000 2.323 297 L HA 0.689 5.029 4.340 0.000 0.000 0.265 297 L C -0.837 175.469 176.870 -0.941 0.000 1.012 297 L CA -0.429 54.047 54.840 -0.606 0.000 0.820 297 L CB 1.620 43.260 42.059 -0.698 0.000 1.334 297 L HN 0.431 nan 8.230 nan 0.000 0.427 298 F N 2.307 122.037 119.950 -0.366 0.000 2.646 298 F HA 0.518 5.045 4.527 -0.000 0.000 0.364 298 F C -0.723 174.767 175.800 -0.516 0.000 1.137 298 F CA -0.488 57.281 58.000 -0.385 0.000 1.085 298 F CB 1.056 39.840 39.000 -0.361 0.000 1.331 298 F HN 0.047 nan 8.300 nan 0.000 0.472 299 L N 2.330 123.457 121.223 -0.160 0.000 2.334 299 L HA 0.727 5.067 4.340 0.000 0.000 0.275 299 L C 0.561 177.393 176.870 -0.064 0.000 1.036 299 L CA -0.437 54.286 54.840 -0.195 0.000 0.807 299 L CB 1.766 43.530 42.059 -0.491 0.000 1.231 299 L HN 0.656 nan 8.230 nan 0.000 0.438 300 T N -2.416 112.102 114.554 -0.059 0.000 2.807 300 T HA 0.413 4.763 4.350 0.000 0.000 0.277 300 T C 0.632 175.312 174.700 -0.033 0.000 1.006 300 T CA -0.645 61.448 62.100 -0.012 0.000 1.006 300 T CB 0.932 69.807 68.868 0.012 0.000 1.274 300 T HN 0.537 nan 8.240 nan 0.000 0.569 301 E N -0.005 120.189 120.200 -0.010 0.000 2.478 301 E HA -0.023 4.327 4.350 0.000 0.000 0.198 301 E C 0.624 177.213 176.600 -0.018 0.000 1.046 301 E CA 0.678 57.069 56.400 -0.016 0.000 0.870 301 E CB 0.112 29.812 29.700 -0.000 0.000 0.818 301 E HN 0.589 nan 8.360 nan 0.000 0.527 302 E N -1.200 118.994 120.200 -0.008 0.000 2.541 302 E HA 0.217 4.567 4.350 0.000 0.000 0.219 302 E C 0.486 177.090 176.600 0.007 0.000 0.922 302 E CA 0.310 56.709 56.400 -0.001 0.000 1.095 302 E CB 1.721 31.427 29.700 0.011 0.000 1.112 302 E HN 0.193 nan 8.360 nan 0.000 0.516 303 G N -0.567 108.240 108.800 0.012 0.000 2.591 303 G HA2 -0.026 3.934 3.960 0.000 0.000 0.104 303 G HA3 -0.026 3.934 3.960 0.000 0.000 0.104 303 G C -1.569 173.390 174.900 0.098 0.000 1.097 303 G CA -0.764 44.368 45.100 0.054 0.000 1.076 303 G HN 0.097 nan 8.290 nan 0.000 0.485 304 H N 1.319 120.442 119.070 0.089 0.000 2.495 304 H HA 0.683 5.239 4.556 0.000 0.000 0.348 304 H C -1.794 173.631 175.328 0.162 0.000 1.113 304 H CA -0.097 56.040 56.048 0.148 0.000 1.195 304 H CB 2.188 32.095 29.762 0.242 0.000 1.521 304 H HN 0.483 nan 8.280 nan 0.000 0.509 305 D N 6.518 126.947 120.400 0.048 0.000 2.452 305 D HA 0.097 4.737 4.640 0.000 0.000 0.226 305 D C -2.280 174.044 176.300 0.040 0.000 1.366 305 D CA -1.337 52.756 54.000 0.155 0.000 0.986 305 D CB 2.337 43.196 40.800 0.098 0.000 1.420 305 D HN 0.290 nan 8.370 nan 0.000 0.583 306 P HA -0.105 nan 4.420 nan 0.000 0.234 306 P C 0.939 177.891 177.300 -0.581 0.000 1.167 306 P CA 0.742 63.659 63.100 -0.306 0.000 0.763 306 P CB 0.700 32.378 31.700 -0.036 0.000 0.835 307 Q N 0.497 120.166 119.800 -0.218 0.000 2.304 307 Q HA -0.007 4.333 4.340 0.000 0.000 0.204 307 Q C 1.615 177.536 176.000 -0.131 0.000 0.936 307 Q CA 1.563 57.233 55.803 -0.222 0.000 0.878 307 Q CB 0.194 29.033 28.738 0.169 0.000 0.983 307 Q HN 0.216 nan 8.270 nan 0.000 0.516 308 T N -3.339 111.193 114.554 -0.036 0.000 2.975 308 T HA 0.340 4.690 4.350 0.000 0.000 0.257 308 T C 0.777 175.491 174.700 0.023 0.000 1.003 308 T CA 0.132 62.231 62.100 -0.002 0.000 0.932 308 T CB 0.598 69.483 68.868 0.028 0.000 1.087 308 T HN 0.216 nan 8.240 nan 0.000 0.512 309 G N 1.217 110.037 108.800 0.035 0.000 2.527 309 G HA2 0.405 4.365 3.960 0.000 0.000 0.248 309 G HA3 0.405 4.365 3.960 0.000 0.000 0.248 309 G C -0.560 174.432 174.900 0.153 0.000 1.231 309 G CA -0.566 44.579 45.100 0.075 0.000 0.838 309 G HN 0.559 nan 8.290 nan 0.000 0.570 310 E N 0.471 120.764 120.200 0.155 0.000 2.331 310 E HA 0.269 4.619 4.350 0.000 0.000 0.272 310 E C -0.022 176.665 176.600 0.145 0.000 1.036 310 E CA -0.751 55.742 56.400 0.154 0.000 0.864 310 E CB 0.991 30.789 29.700 0.163 0.000 1.035 310 E HN 0.164 nan 8.360 nan 0.000 0.408 311 V N 5.312 125.233 119.914 0.012 0.000 2.540 311 V HA 0.058 4.178 4.120 0.000 0.000 0.297 311 V C -0.201 175.715 176.094 -0.295 0.000 1.024 311 V CA 0.708 62.874 62.300 -0.224 0.000 1.105 311 V CB -0.666 31.088 31.823 -0.115 0.000 0.938 311 V HN 0.514 nan 8.190 nan 0.000 0.482 312 F N 3.130 122.786 119.950 -0.490 0.000 2.563 312 F HA 0.733 5.260 4.527 -0.000 0.000 0.316 312 F C -0.187 175.297 175.800 -0.528 0.000 1.076 312 F CA -0.731 57.045 58.000 -0.373 0.000 0.921 312 F CB 2.379 41.173 39.000 -0.343 0.000 1.209 312 F HN 0.177 nan 8.300 nan 0.000 0.462 313 V N 1.367 121.121 119.914 -0.266 0.000 2.638 313 V HA 0.534 4.654 4.120 0.000 0.000 0.306 313 V C -0.598 175.419 176.094 -0.128 0.000 1.052 313 V CA -0.842 61.245 62.300 -0.355 0.000 0.885 313 V CB 2.201 33.668 31.823 -0.592 0.000 0.999 313 V HN 0.808 nan 8.190 nan 0.000 0.424 314 T N 3.609 118.068 114.554 -0.157 0.000 2.855 314 T HA 0.928 5.278 4.350 0.000 0.000 0.281 314 T C -0.733 173.888 174.700 -0.132 0.000 1.007 314 T CA -0.626 61.439 62.100 -0.058 0.000 1.009 314 T CB 1.660 70.513 68.868 -0.026 0.000 0.983 314 T HN 0.996 nan 8.240 nan 0.000 0.455 315 L N -0.775 120.366 121.223 -0.136 0.000 2.710 315 L HA 0.922 5.262 4.340 0.000 0.000 0.260 315 L C -0.483 176.252 176.870 -0.226 0.000 0.993 315 L CA -1.317 53.396 54.840 -0.211 0.000 0.877 315 L CB 1.359 43.214 42.059 -0.340 0.000 1.461 315 L HN 0.904 nan 8.230 nan 0.000 0.413 316 G N -0.008 108.629 108.800 -0.271 0.000 2.400 316 G HA2 0.669 4.629 3.960 0.000 0.000 0.333 316 G HA3 0.669 4.629 3.960 0.000 0.000 0.333 316 G C -0.628 174.313 174.900 0.069 0.000 1.143 316 G CA -0.101 44.833 45.100 -0.277 0.000 0.914 316 G HN 0.925 nan 8.290 nan 0.000 0.480 317 T N -0.883 113.820 114.554 0.247 0.000 2.861 317 T HA 0.586 4.936 4.350 0.000 0.000 0.287 317 T C -0.576 174.212 174.700 0.147 0.000 1.003 317 T CA -0.820 61.418 62.100 0.230 0.000 0.977 317 T CB 2.315 71.294 68.868 0.186 0.000 0.996 317 T HN 0.452 nan 8.240 nan 0.000 0.448 318 E N 1.547 121.765 120.200 0.030 0.000 2.174 318 E HA 0.551 4.901 4.350 0.000 0.000 0.282 318 E C 0.242 176.747 176.600 -0.157 0.000 0.992 318 E CA -0.959 55.348 56.400 -0.155 0.000 0.803 318 E CB 1.542 31.183 29.700 -0.098 0.000 1.090 318 E HN 0.861 nan 8.360 nan 0.000 0.396 319 G N 0.992 109.716 108.800 -0.127 0.000 2.788 319 G HA2 0.588 4.548 3.960 0.000 0.000 0.293 319 G HA3 0.588 4.548 3.960 0.000 0.000 0.293 319 G C -0.948 174.004 174.900 0.086 0.000 1.305 319 G CA -0.508 44.612 45.100 0.034 0.000 1.005 319 G HN 0.370 nan 8.290 nan 0.000 0.496 320 S N -1.960 113.850 115.700 0.183 0.000 2.580 320 S HA 0.619 5.089 4.470 0.000 0.000 0.281 320 S C 0.027 174.723 174.600 0.160 0.000 1.129 320 S CA 0.119 58.401 58.200 0.136 0.000 0.862 320 S CB 0.913 64.172 63.200 0.098 0.000 1.090 320 S HN 1.430 nan 8.310 nan 0.000 0.451 321 G N 1.797 110.660 108.800 0.105 0.000 2.557 321 G HA2 0.644 4.604 3.960 0.000 0.000 0.292 321 G HA3 0.644 4.604 3.960 0.000 0.000 0.292 321 G C -0.966 173.987 174.900 0.090 0.000 1.237 321 G CA -0.727 44.430 45.100 0.094 0.000 0.978 321 G HN 0.763 nan 8.290 nan 0.000 0.498 322 L N 1.245 122.516 121.223 0.080 0.000 2.334 322 L HA 0.404 4.744 4.340 0.000 0.000 0.276 322 L C -1.486 175.411 176.870 0.045 0.000 1.014 322 L CA -1.558 53.324 54.840 0.071 0.000 0.815 322 L CB 1.778 43.887 42.059 0.082 0.000 1.268 322 L HN 0.457 nan 8.230 nan 0.000 0.428 323 P HA 0.291 nan 4.420 nan 0.000 0.275 323 P C -0.617 176.696 177.300 0.023 0.000 1.228 323 P CA -0.531 62.589 63.100 0.032 0.000 0.786 323 P CB 1.165 32.877 31.700 0.020 0.000 0.927 324 I N 1.694 122.275 120.570 0.019 0.000 2.692 324 I HA 0.009 4.179 4.170 0.000 0.000 0.284 324 I C 0.422 176.509 176.117 -0.049 0.000 1.159 324 I CA -0.343 60.950 61.300 -0.012 0.000 1.423 324 I CB 0.800 38.786 38.000 -0.024 0.000 1.380 324 I HN 0.096 nan 8.210 nan 0.000 0.580 325 V N 8.774 128.644 119.914 -0.075 0.000 2.293 325 V HA 0.218 4.338 4.120 0.000 0.000 0.275 325 V C -2.091 173.886 176.094 -0.195 0.000 1.021 325 V CA -1.742 60.498 62.300 -0.100 0.000 0.815 325 V CB 1.133 32.917 31.823 -0.066 0.000 1.025 325 V HN 0.622 nan 8.190 nan 0.000 0.448 326 P HA -0.023 nan 4.420 nan 0.000 0.261 326 P C 0.432 177.480 177.300 -0.420 0.000 1.165 326 P CA 0.753 63.659 63.100 -0.324 0.000 0.759 326 P CB 0.118 31.695 31.700 -0.206 0.000 0.772 327 Q N -1.624 117.711 119.800 -0.774 0.000 2.429 327 Q HA -0.140 4.200 4.340 0.000 0.000 0.232 327 Q C -0.812 174.702 176.000 -0.811 0.000 0.724 327 Q CA 0.353 55.538 55.803 -1.031 0.000 1.287 327 Q CB -1.795 26.674 28.738 -0.447 0.000 1.429 327 Q HN 0.257 nan 8.270 nan 0.000 0.721 328 V N 1.007 120.572 119.914 -0.583 0.000 2.443 328 V HA 0.370 4.490 4.120 0.000 0.000 0.293 328 V C -0.083 176.042 176.094 0.051 0.000 1.021 328 V CA -0.443 61.759 62.300 -0.164 0.000 0.848 328 V CB 2.097 33.871 31.823 -0.081 0.000 0.998 328 V HN 0.067 nan 8.190 nan 0.000 0.424 329 S N 2.346 118.178 115.700 0.219 0.000 2.434 329 S HA 0.155 4.625 4.470 0.000 0.000 0.318 329 S C 1.254 175.851 174.600 -0.006 0.000 1.062 329 S CA -0.033 58.282 58.200 0.192 0.000 1.116 329 S CB 1.275 64.518 63.200 0.072 0.000 0.977 329 S HN 1.001 nan 8.310 nan 0.000 0.480 330 S N 2.844 118.568 115.700 0.040 0.000 2.447 330 S HA 0.075 4.545 4.470 0.000 0.000 0.233 330 S C 0.585 175.188 174.600 0.004 0.000 1.006 330 S CA 0.564 58.804 58.200 0.067 0.000 0.957 330 S CB -0.191 63.059 63.200 0.084 0.000 0.773 330 S HN 0.542 nan 8.310 nan 0.000 0.507 331 I N 2.098 122.568 120.570 -0.167 0.000 2.466 331 I HA 0.397 4.567 4.170 0.000 0.000 0.289 331 I C -1.275 174.527 176.117 -0.526 0.000 1.026 331 I CA -0.746 60.418 61.300 -0.227 0.000 1.078 331 I CB 1.361 39.321 38.000 -0.067 0.000 1.249 331 I HN 0.161 nan 8.210 nan 0.000 0.429 332 H N 3.530 122.297 119.070 -0.503 0.000 2.736 332 H HA 0.365 4.921 4.556 0.000 0.000 0.271 332 H C -0.968 174.267 175.328 -0.156 0.000 1.184 332 H CA -0.545 55.090 56.048 -0.688 0.000 1.378 332 H CB 0.692 29.434 29.762 -1.701 0.000 1.428 332 H HN 0.317 nan 8.280 nan 0.000 0.500 333 D N 2.520 123.016 120.400 0.160 0.000 2.264 333 D HA 0.083 4.723 4.640 0.000 0.000 0.250 333 D C 0.083 176.509 176.300 0.209 0.000 1.113 333 D CA -0.523 53.595 54.000 0.196 0.000 0.871 333 D CB 1.271 42.035 40.800 -0.060 0.000 1.167 333 D HN 0.324 nan 8.370 nan 0.000 0.447 334 M N 4.305 124.023 119.600 0.196 0.000 2.365 334 M HA 0.264 4.744 4.480 0.000 0.000 0.350 334 M C -1.443 174.774 176.300 -0.138 0.000 1.274 334 M CA -0.231 55.119 55.300 0.083 0.000 1.252 334 M CB -0.399 32.321 32.600 0.200 0.000 1.297 334 M HN 0.219 nan 8.290 nan 0.000 0.438 335 L N 3.912 124.972 121.223 -0.271 0.000 2.376 335 L HA 0.750 5.090 4.340 0.000 0.000 0.267 335 L C -0.516 176.304 176.870 -0.083 0.000 1.035 335 L CA -0.861 53.746 54.840 -0.388 0.000 0.800 335 L CB 1.394 43.155 42.059 -0.496 0.000 1.290 335 L HN 0.720 nan 8.230 nan 0.000 0.462 336 W N -0.058 121.131 121.300 -0.184 0.000 3.167 336 W HA 0.833 5.493 4.660 -0.000 0.000 0.324 336 W C -1.863 174.600 176.519 -0.094 0.000 1.230 336 W CA -1.163 56.124 57.345 -0.096 0.000 1.184 336 W CB 1.587 31.038 29.460 -0.016 0.000 1.414 336 W HN 0.613 nan 8.180 nan 0.000 0.551 337 A N 1.336 124.304 122.820 0.247 0.000 2.549 337 A HA 0.897 5.217 4.320 0.000 0.000 0.297 337 A C -1.663 175.950 177.584 0.050 0.000 1.061 337 A CA -0.373 51.639 52.037 -0.042 0.000 0.690 337 A CB 1.340 20.300 19.000 -0.068 0.000 1.287 337 A HN 1.495 nan 8.150 nan 0.000 0.402 338 A N 0.091 122.800 122.820 -0.186 0.000 2.423 338 A HA 1.044 5.364 4.320 0.000 0.000 0.304 338 A C 0.231 177.574 177.584 -0.401 0.000 1.104 338 A CA -0.034 51.668 52.037 -0.558 0.000 0.757 338 A CB 1.630 19.946 19.000 -1.140 0.000 1.313 338 A HN 2.690 nan 8.150 nan 0.000 0.423 339 G N -0.454 108.147 108.800 -0.332 0.000 2.356 339 G HA2 0.484 4.444 3.960 0.000 0.000 0.281 339 G HA3 0.484 4.444 3.960 0.000 0.000 0.281 339 G C -1.548 173.213 174.900 -0.233 0.000 1.246 339 G CA 0.094 44.954 45.100 -0.401 0.000 0.889 339 G HN 0.955 nan 8.290 nan 0.000 0.486 340 E N -1.271 118.758 120.200 -0.285 0.000 2.320 340 E HA 0.722 5.072 4.350 0.000 0.000 0.264 340 E C -1.102 175.444 176.600 -0.090 0.000 0.923 340 E CA -0.613 55.713 56.400 -0.124 0.000 0.796 340 E CB 2.239 31.873 29.700 -0.111 0.000 1.262 340 E HN 0.581 nan 8.360 nan 0.000 0.428 341 V N 2.194 122.127 119.914 0.031 0.000 2.448 341 V HA 0.844 4.964 4.120 0.000 0.000 0.295 341 V C 0.385 176.511 176.094 0.052 0.000 1.025 341 V CA -0.058 62.300 62.300 0.097 0.000 0.859 341 V CB 1.249 33.223 31.823 0.251 0.000 0.988 341 V HN 0.718 nan 8.190 nan 0.000 0.431 342 G N 2.199 111.019 108.800 0.034 0.000 3.042 342 G HA2 0.601 4.561 3.960 0.000 0.000 0.278 342 G HA3 0.601 4.561 3.960 0.000 0.000 0.278 342 G C -0.795 174.132 174.900 0.046 0.000 1.371 342 G CA -0.780 44.334 45.100 0.022 0.000 1.009 342 G HN 0.611 nan 8.290 nan 0.000 0.523 343 V N 0.053 119.987 119.914 0.033 0.000 2.843 343 V HA 0.489 4.609 4.120 0.000 0.000 0.305 343 V C 1.318 177.435 176.094 0.039 0.000 1.065 343 V CA 0.397 62.722 62.300 0.041 0.000 1.116 343 V CB 1.074 32.914 31.823 0.029 0.000 0.968 343 V HN 1.091 nan 8.190 nan 0.000 0.487 344 G N 4.866 113.696 108.800 0.049 0.000 2.687 344 G HA2 0.288 4.248 3.960 0.000 0.000 0.288 344 G HA3 0.288 4.248 3.960 0.000 0.000 0.288 344 G C 0.647 175.562 174.900 0.026 0.000 0.713 344 G CA 0.931 46.057 45.100 0.044 0.000 2.023 344 G HN 1.613 nan 8.290 nan 0.000 0.529 345 S N 1.534 117.243 115.700 0.015 0.000 3.276 345 S HA -0.304 4.166 4.470 0.000 0.000 0.600 345 S C 1.568 176.174 174.600 0.010 0.000 2.832 345 S CA 1.901 60.105 58.200 0.007 0.000 4.020 345 S CB -0.717 62.486 63.200 0.005 0.000 0.685 345 S HN 0.689 nan 8.310 nan 0.000 1.252 346 E N 0.225 120.430 120.200 0.009 0.000 2.332 346 E HA 0.086 4.436 4.350 0.000 0.000 0.202 346 E C 0.919 177.526 176.600 0.013 0.000 0.877 346 E CA 0.328 56.733 56.400 0.010 0.000 0.979 346 E CB 0.012 29.716 29.700 0.006 0.000 0.969 346 E HN 0.664 nan 8.360 nan 0.000 0.495 347 Q N 1.246 121.054 119.800 0.013 0.000 2.870 347 Q HA 0.023 4.363 4.340 0.000 0.000 0.193 347 Q C 0.267 176.280 176.000 0.021 0.000 1.148 347 Q CA 0.348 56.161 55.803 0.017 0.000 1.212 347 Q CB 0.107 28.855 28.738 0.017 0.000 1.290 347 Q HN -0.215 nan 8.270 nan 0.000 0.686 348 E N -0.163 120.052 120.200 0.025 0.000 2.282 348 E HA 0.377 4.727 4.350 0.000 0.000 0.247 348 E C -0.677 175.944 176.600 0.035 0.000 1.113 348 E CA -0.019 56.399 56.400 0.030 0.000 1.095 348 E CB -0.005 29.715 29.700 0.033 0.000 1.328 348 E HN 0.671 nan 8.360 nan 0.000 0.463 349 G N 0.460 109.278 108.800 0.030 0.000 3.252 349 G HA2 0.591 4.551 3.960 0.000 0.000 0.181 349 G HA3 0.591 4.551 3.960 0.000 0.000 0.181 349 G C -0.485 174.424 174.900 0.016 0.000 1.187 349 G CA -0.101 45.019 45.100 0.033 0.000 0.886 349 G HN 0.394 nan 8.290 nan 0.000 0.615 350 A N -0.286 122.548 122.820 0.023 0.000 2.561 350 A HA 0.270 4.590 4.320 0.000 0.000 0.234 350 A C 1.375 178.978 177.584 0.032 0.000 1.055 350 A CA 0.569 52.614 52.037 0.013 0.000 0.756 350 A CB 0.156 19.215 19.000 0.098 0.000 0.986 350 A HN 0.626 nan 8.150 nan 0.000 0.505 351 K N 0.376 120.786 120.400 0.016 0.000 2.097 351 K HA -0.030 4.290 4.320 0.000 0.000 0.206 351 K C 0.663 177.312 176.600 0.081 0.000 1.049 351 K CA 1.658 57.969 56.287 0.041 0.000 0.933 351 K CB -0.360 32.161 32.500 0.035 0.000 0.717 351 K HN 0.771 nan 8.250 nan 0.000 0.442 352 V N -1.579 118.414 119.914 0.132 0.000 3.074 352 V HA 0.500 4.620 4.120 0.000 0.000 0.314 352 V C -1.252 174.992 176.094 0.250 0.000 1.117 352 V CA -1.067 61.342 62.300 0.181 0.000 1.014 352 V CB 2.178 34.130 31.823 0.216 0.000 1.057 352 V HN 0.016 nan 8.190 nan 0.000 0.438 353 E N 1.395 121.721 120.200 0.210 0.000 2.308 353 E HA 0.489 4.839 4.350 0.000 0.000 0.275 353 E C -2.003 174.600 176.600 0.005 0.000 0.890 353 E CA -0.469 56.006 56.400 0.125 0.000 0.754 353 E CB 3.030 32.743 29.700 0.023 0.000 1.207 353 E HN 0.727 nan 8.360 nan 0.000 0.426 354 F N 1.837 121.503 119.950 -0.472 0.000 2.404 354 F HA 0.438 4.965 4.527 0.000 0.000 0.354 354 F C -0.776 174.563 175.800 -0.769 0.000 1.122 354 F CA -0.458 57.053 58.000 -0.815 0.000 1.080 354 F CB 1.224 39.180 39.000 -1.739 0.000 1.131 354 F HN 0.174 nan 8.300 nan 0.000 0.471 355 S N 7.877 122.815 115.700 -1.271 0.000 2.566 355 S HA 0.424 4.894 4.470 0.000 0.000 0.324 355 S C -2.671 171.144 174.600 -1.308 0.000 1.081 355 S CA -1.224 56.319 58.200 -1.095 0.000 1.105 355 S CB 1.289 64.174 63.200 -0.525 0.000 0.981 355 S HN 0.425 nan 8.310 nan 0.000 0.464 356 P HA 0.110 nan 4.420 nan 0.000 0.268 356 P C 0.384 177.383 177.300 -0.503 0.000 1.204 356 P CA -0.018 62.478 63.100 -1.006 0.000 0.768 356 P CB 0.661 31.863 31.700 -0.829 0.000 0.842 357 S N 2.113 117.548 115.700 -0.441 0.000 2.559 357 S HA 0.352 4.822 4.470 0.000 0.000 0.226 357 S C 0.379 174.922 174.600 -0.094 0.000 1.030 357 S CA -0.170 57.940 58.200 -0.150 0.000 0.956 357 S CB -0.375 62.729 63.200 -0.160 0.000 0.900 357 S HN 0.533 nan 8.310 nan 0.000 0.510 358 M N -0.529 118.775 119.600 -0.494 0.000 2.755 358 M HA 0.816 5.296 4.480 0.000 0.000 0.276 358 M C -1.931 173.724 176.300 -1.076 0.000 1.129 358 M CA -0.883 54.091 55.300 -0.544 0.000 0.832 358 M CB 1.193 33.721 32.600 -0.120 0.000 1.700 358 M HN 0.148 nan 8.290 nan 0.000 0.518 359 A N 0.465 122.479 122.820 -1.344 0.000 2.610 359 A HA 1.076 5.396 4.320 0.000 0.000 0.291 359 A C -0.640 176.162 177.584 -1.303 0.000 1.086 359 A CA -0.056 51.061 52.037 -1.534 0.000 0.677 359 A CB 1.547 19.741 19.000 -1.343 0.000 1.278 359 A HN 1.872 nan 8.150 nan 0.000 0.414 360 G N -1.058 106.792 108.800 -1.583 0.000 2.500 360 G HA2 0.568 4.528 3.960 0.000 0.000 0.299 360 G HA3 0.568 4.528 3.960 0.000 0.000 0.299 360 G C -1.803 172.612 174.900 -0.809 0.000 1.242 360 G CA -0.517 44.109 45.100 -0.790 0.000 0.859 360 G HN 0.679 nan 8.290 nan 0.000 0.481 361 F N 0.218 119.919 119.950 -0.415 0.000 2.469 361 F HA 0.491 5.018 4.527 -0.000 0.000 0.332 361 F C 1.092 176.966 175.800 0.123 0.000 1.103 361 F CA -0.649 57.093 58.000 -0.431 0.000 0.979 361 F CB 2.301 40.487 39.000 -1.356 0.000 1.137 361 F HN 0.365 nan 8.300 nan 0.000 0.463 362 L N 1.121 122.544 121.223 0.334 0.000 2.179 362 L HA 0.182 4.522 4.340 0.000 0.000 0.208 362 L C -0.009 176.954 176.870 0.155 0.000 1.096 362 L CA 1.737 56.748 54.840 0.284 0.000 0.779 362 L CB -0.140 42.036 42.059 0.195 0.000 0.922 362 L HN 0.524 nan 8.230 nan 0.000 0.443 363 D N -2.400 118.076 120.400 0.126 0.000 2.966 363 D HA 0.048 4.688 4.640 0.000 0.000 0.222 363 D C -0.524 175.823 176.300 0.079 0.000 1.292 363 D CA -0.391 53.645 54.000 0.061 0.000 0.907 363 D CB 0.713 41.549 40.800 0.060 0.000 1.621 363 D HN 0.082 nan 8.370 nan 0.000 0.557 364 W N 2.296 123.504 121.300 -0.152 0.000 3.180 364 W HA 0.224 4.884 4.660 -0.000 0.000 0.254 364 W C 1.606 178.057 176.519 -0.113 0.000 1.318 364 W CA -0.142 57.029 57.345 -0.289 0.000 1.608 364 W CB 0.303 29.510 29.460 -0.422 0.000 1.124 364 W HN 0.364 nan 8.180 nan 0.000 0.694 365 G N 0.234 109.129 108.800 0.157 0.000 2.380 365 G HA2 -0.021 3.939 3.960 0.000 0.000 0.242 365 G HA3 -0.021 3.939 3.960 0.000 0.000 0.242 365 G C 0.282 175.340 174.900 0.263 0.000 1.298 365 G CA -0.527 44.677 45.100 0.172 0.000 0.878 365 G HN 0.198 nan 8.290 nan 0.000 0.542 366 F N 2.067 122.145 119.950 0.213 0.000 2.095 366 F HA -0.149 4.378 4.527 0.000 0.000 0.298 366 F C 2.471 178.447 175.800 0.293 0.000 1.104 366 F CA 2.185 60.358 58.000 0.287 0.000 1.232 366 F CB 0.219 39.482 39.000 0.438 0.000 0.987 366 F HN 0.360 nan 8.300 nan 0.000 0.475 367 S N 0.292 116.192 115.700 0.334 0.000 2.593 367 S HA 0.363 4.833 4.470 0.000 0.000 0.217 367 S C 0.574 175.111 174.600 -0.105 0.000 0.966 367 S CA 0.157 58.336 58.200 -0.035 0.000 0.914 367 S CB -0.590 62.600 63.200 -0.017 0.000 0.776 367 S HN 0.436 nan 8.310 nan 0.000 0.523 368 A N 1.362 124.234 122.820 0.086 0.000 2.328 368 A HA 0.753 5.073 4.320 0.000 0.000 0.284 368 A C -0.614 177.192 177.584 0.369 0.000 1.160 368 A CA -0.255 51.863 52.037 0.135 0.000 0.818 368 A CB 0.366 19.434 19.000 0.114 0.000 1.087 368 A HN 0.454 nan 8.150 nan 0.000 0.504 369 Y N 0.831 121.271 120.300 0.234 0.000 2.852 369 Y HA 0.393 4.943 4.550 0.000 0.000 0.350 369 Y C 0.495 176.649 175.900 0.423 0.000 1.272 369 Y CA 0.058 58.359 58.100 0.335 0.000 1.086 369 Y CB 0.535 39.265 38.460 0.449 0.000 1.408 369 Y HN 1.854 nan 8.280 nan 0.000 0.447 370 A N 0.646 123.333 122.820 -0.222 0.000 2.704 370 A HA -0.001 4.319 4.320 0.000 0.000 0.299 370 A C 0.245 177.884 177.584 0.092 0.000 1.507 370 A CA 1.001 52.980 52.037 -0.097 0.000 0.776 370 A CB -2.205 16.912 19.000 0.195 0.000 1.027 370 A HN 1.834 nan 8.150 nan 0.000 0.475 371 A N -0.560 122.309 122.820 0.083 0.000 2.540 371 A HA 0.564 4.884 4.320 0.000 0.000 0.239 371 A C 0.779 178.485 177.584 0.203 0.000 1.061 371 A CA 0.848 52.993 52.037 0.180 0.000 0.758 371 A CB 0.104 19.194 19.000 0.149 0.000 0.991 371 A HN 2.361 nan 8.150 nan 0.000 0.502 372 A N 2.417 125.445 122.820 0.346 0.000 2.357 372 A HA 0.736 5.056 4.320 0.000 0.000 0.295 372 A C 0.256 178.222 177.584 0.635 0.000 1.121 372 A CA 0.175 52.468 52.037 0.426 0.000 0.742 372 A CB 1.000 20.211 19.000 0.350 0.000 1.181 372 A HN 1.822 nan 8.150 nan 0.000 0.454 373 G N 0.542 109.684 108.800 0.570 0.000 3.013 373 G HA2 0.731 4.691 3.960 0.000 0.000 0.278 373 G HA3 0.731 4.691 3.960 0.000 0.000 0.278 373 G C -1.007 174.111 174.900 0.365 0.000 1.353 373 G CA -0.760 44.549 45.100 0.349 0.000 1.043 373 G HN 0.778 nan 8.290 nan 0.000 0.523 374 K N -1.303 118.974 120.400 -0.204 0.000 2.610 374 K HA 0.450 4.770 4.320 0.000 0.000 0.278 374 K C -1.051 175.461 176.600 -0.146 0.000 0.964 374 K CA -0.571 55.787 56.287 0.117 0.000 0.859 374 K CB 1.813 34.614 32.500 0.502 0.000 1.434 374 K HN 0.405 nan 8.250 nan 0.000 0.410 375 V N 3.370 123.350 119.914 0.110 0.000 2.572 375 V HA 0.230 4.350 4.120 0.000 0.000 0.291 375 V C -0.200 175.942 176.094 0.079 0.000 1.039 375 V CA -0.342 61.977 62.300 0.031 0.000 1.055 375 V CB 0.747 32.563 31.823 -0.011 0.000 0.969 375 V HN 0.583 nan 8.190 nan 0.000 0.482 376 L N 9.575 130.786 121.223 -0.019 0.000 2.313 376 L HA 0.587 4.927 4.340 0.000 0.000 0.273 376 L C -2.433 174.444 176.870 0.011 0.000 1.028 376 L CA -1.896 52.907 54.840 -0.063 0.000 0.871 376 L CB 1.228 43.111 42.059 -0.293 0.000 1.242 376 L HN 0.389 nan 8.230 nan 0.000 0.434 377 P HA 0.090 nan 4.420 nan 0.000 0.268 377 P C 0.107 177.440 177.300 0.055 0.000 1.208 377 P CA 0.093 63.245 63.100 0.087 0.000 0.777 377 P CB 0.808 32.580 31.700 0.119 0.000 0.875 378 A N 2.012 124.865 122.820 0.056 0.000 2.168 378 A HA -0.091 4.229 4.320 0.000 0.000 0.215 378 A C 1.804 179.410 177.584 0.037 0.000 1.152 378 A CA 1.567 53.625 52.037 0.036 0.000 0.716 378 A CB -1.246 17.777 19.000 0.039 0.000 0.794 378 A HN 0.576 nan 8.150 nan 0.000 0.465 379 S N 0.178 115.910 115.700 0.054 0.000 2.593 379 S HA 0.081 4.551 4.470 0.000 0.000 0.217 379 S C 1.006 175.641 174.600 0.059 0.000 0.966 379 S CA 0.317 58.550 58.200 0.054 0.000 0.914 379 S CB -0.767 62.472 63.200 0.065 0.000 0.776 379 S HN 0.697 nan 8.310 nan 0.000 0.523 380 S N 0.950 116.687 115.700 0.062 0.000 2.593 380 S HA 0.666 5.136 4.470 0.000 0.000 0.269 380 S C 1.356 175.982 174.600 0.043 0.000 1.334 380 S CA -0.311 57.932 58.200 0.072 0.000 1.015 380 S CB 1.009 64.257 63.200 0.081 0.000 0.912 380 S HN 0.456 nan 8.310 nan 0.000 0.541 381 A N 1.696 124.544 122.820 0.047 0.000 1.969 381 A HA 0.035 4.355 4.320 0.000 0.000 0.218 381 A C 2.095 179.677 177.584 -0.003 0.000 1.169 381 A CA 1.425 53.475 52.037 0.021 0.000 0.635 381 A CB -1.234 17.780 19.000 0.023 0.000 0.810 381 A HN 0.791 nan 8.150 nan 0.000 0.445 382 V N -0.162 119.750 119.914 -0.004 0.000 2.233 382 V HA -0.245 3.875 4.120 0.000 0.000 0.247 382 V C 2.777 178.840 176.094 -0.051 0.000 1.050 382 V CA 2.472 64.746 62.300 -0.043 0.000 1.010 382 V CB -1.022 30.761 31.823 -0.067 0.000 0.637 382 V HN 0.549 nan 8.190 nan 0.000 0.444 383 S N -0.721 114.956 115.700 -0.039 0.000 2.368 383 S HA -0.186 4.284 4.470 0.000 0.000 0.224 383 S C 1.977 176.563 174.600 -0.023 0.000 1.029 383 S CA 1.414 59.593 58.200 -0.035 0.000 0.988 383 S CB -0.281 62.906 63.200 -0.021 0.000 0.838 383 S HN 0.563 nan 8.310 nan 0.000 0.462 384 K N 0.688 121.081 120.400 -0.012 0.000 2.032 384 K HA -0.090 4.230 4.320 0.000 0.000 0.209 384 K C 2.346 178.934 176.600 -0.020 0.000 1.048 384 K CA 1.679 57.961 56.287 -0.009 0.000 0.927 384 K CB -0.517 31.983 32.500 -0.000 0.000 0.712 384 K HN 0.283 nan 8.250 nan 0.000 0.441 385 T N 0.897 115.434 114.554 -0.028 0.000 2.643 385 T HA -0.142 4.208 4.350 0.000 0.000 0.264 385 T C 2.013 176.686 174.700 -0.044 0.000 1.045 385 T CA 1.915 63.992 62.100 -0.038 0.000 1.155 385 T CB -0.311 68.527 68.868 -0.050 0.000 0.863 385 T HN 0.382 nan 8.240 nan 0.000 0.420 386 S N 0.649 116.317 115.700 -0.053 0.000 2.603 386 S HA 0.255 4.725 4.470 0.000 0.000 0.229 386 S C 1.665 176.239 174.600 -0.043 0.000 0.972 386 S CA 0.634 58.800 58.200 -0.057 0.000 0.935 386 S CB -0.660 62.498 63.200 -0.070 0.000 0.769 386 S HN 0.853 nan 8.310 nan 0.000 0.536 387 G N 0.458 109.238 108.800 -0.033 0.000 2.221 387 G HA2 -0.219 3.741 3.960 0.000 0.000 0.265 387 G HA3 -0.219 3.741 3.960 0.000 0.000 0.265 387 G C -0.078 174.809 174.900 -0.021 0.000 1.041 387 G CA 0.094 45.180 45.100 -0.024 0.000 0.807 387 G HN 0.676 nan 8.290 nan 0.000 0.502 388 V N 0.471 120.372 119.914 -0.023 0.000 2.530 388 V HA 0.307 4.427 4.120 0.000 0.000 0.282 388 V C 1.155 177.246 176.094 -0.004 0.000 1.048 388 V CA -0.154 62.135 62.300 -0.018 0.000 0.997 388 V CB 1.596 33.402 31.823 -0.028 0.000 0.987 388 V HN 0.369 nan 8.190 nan 0.000 0.477 389 E N 2.672 122.873 120.200 0.002 0.000 2.474 389 E HA 0.095 4.445 4.350 0.000 0.000 0.195 389 E C 0.223 176.838 176.600 0.025 0.000 1.039 389 E CA 0.340 56.748 56.400 0.013 0.000 0.881 389 E CB 0.993 30.700 29.700 0.011 0.000 0.970 389 E HN 0.647 nan 8.360 nan 0.000 0.486 390 V N -1.713 118.216 119.914 0.026 0.000 3.046 390 V HA 0.489 4.609 4.120 0.000 0.000 0.316 390 V C -0.235 175.893 176.094 0.056 0.000 1.104 390 V CA -1.183 61.144 62.300 0.046 0.000 1.006 390 V CB 2.261 34.111 31.823 0.045 0.000 1.058 390 V HN -0.242 nan 8.190 nan 0.000 0.440 391 D N 1.560 122.015 120.400 0.092 0.000 2.302 391 D HA 0.508 5.148 4.640 0.000 0.000 0.248 391 D C -0.148 176.229 176.300 0.127 0.000 1.094 391 D CA 0.019 54.086 54.000 0.112 0.000 0.897 391 D CB 1.511 42.411 40.800 0.166 0.000 1.200 391 D HN 0.566 nan 8.370 nan 0.000 0.429 392 R N 0.565 121.121 120.500 0.093 0.000 2.912 392 R HA 0.442 4.782 4.340 0.000 0.000 0.262 392 R C -1.076 175.303 176.300 0.132 0.000 1.057 392 R CA -0.979 55.179 56.100 0.096 0.000 0.981 392 R CB 1.650 31.948 30.300 -0.005 0.000 1.201 392 R HN 0.421 nan 8.270 nan 0.000 0.484 393 Y N 0.811 121.137 120.300 0.042 0.000 2.326 393 Y HA 0.386 4.936 4.550 0.000 0.000 0.331 393 Y C -1.185 174.700 175.900 -0.025 0.000 0.962 393 Y CA -0.686 57.446 58.100 0.053 0.000 1.167 393 Y CB 1.332 39.886 38.460 0.158 0.000 1.148 393 Y HN 0.206 nan 8.280 nan 0.000 0.463 394 V N 5.402 125.036 119.914 -0.466 0.000 2.398 394 V HA 0.431 4.551 4.120 0.000 0.000 0.286 394 V C -0.265 175.548 176.094 -0.468 0.000 1.026 394 V CA -0.562 61.485 62.300 -0.422 0.000 0.868 394 V CB 1.441 32.969 31.823 -0.491 0.000 0.982 394 V HN 0.772 nan 8.190 nan 0.000 0.443 395 S N 4.732 120.246 115.700 -0.309 0.000 2.454 395 S HA 0.750 5.220 4.470 0.000 0.000 0.306 395 S C -1.090 173.375 174.600 -0.224 0.000 1.100 395 S CA -0.427 57.718 58.200 -0.092 0.000 1.087 395 S CB 0.539 63.825 63.200 0.143 0.000 1.019 395 S HN 0.401 nan 8.310 nan 0.000 0.480 396 F N 3.910 123.937 119.950 0.128 0.000 2.402 396 F HA 0.456 4.983 4.527 0.000 0.000 0.355 396 F C 0.089 176.014 175.800 0.208 0.000 1.123 396 F CA -0.743 57.346 58.000 0.149 0.000 1.021 396 F CB 1.563 40.647 39.000 0.139 0.000 1.160 396 F HN 0.213 nan 8.300 nan 0.000 0.451 397 V N 3.010 123.117 119.914 0.321 0.000 2.481 397 V HA 0.126 4.246 4.120 0.000 0.000 0.286 397 V C -0.498 175.813 176.094 0.361 0.000 1.042 397 V CA -0.874 61.603 62.300 0.296 0.000 0.928 397 V CB 1.196 33.137 31.823 0.197 0.000 0.986 397 V HN 0.718 nan 8.190 nan 0.000 0.462 398 W N 6.091 127.496 121.300 0.175 0.000 2.261 398 W HA 0.561 5.221 4.660 -0.000 0.000 0.323 398 W C -0.715 175.874 176.519 0.117 0.000 1.243 398 W CA -1.051 56.388 57.345 0.156 0.000 1.210 398 W CB 1.111 30.688 29.460 0.195 0.000 1.149 398 W HN 0.396 nan 8.180 nan 0.000 0.562 399 L N 7.304 128.408 121.223 -0.199 0.000 2.384 399 L HA 0.249 4.589 4.340 0.000 0.000 0.261 399 L C 0.353 176.792 176.870 -0.718 0.000 1.024 399 L CA -0.284 54.301 54.840 -0.424 0.000 0.899 399 L CB 0.601 42.440 42.059 -0.368 0.000 1.243 399 L HN 0.464 nan 8.230 nan 0.000 0.449 400 T N 2.181 115.911 114.554 -1.374 0.000 2.933 400 T HA 0.205 4.555 4.350 0.000 0.000 0.306 400 T C 1.362 175.785 174.700 -0.461 0.000 1.045 400 T CA 0.775 62.059 62.100 -1.360 0.000 1.143 400 T CB 0.766 68.567 68.868 -1.779 0.000 1.003 400 T HN 0.813 nan 8.240 nan 0.000 0.540 401 G N 2.635 111.233 108.800 -0.337 0.000 2.683 401 G HA2 0.066 4.026 3.960 0.000 0.000 0.213 401 G HA3 0.066 4.026 3.960 0.000 0.000 0.213 401 G C 0.346 174.739 174.900 -0.846 0.000 1.142 401 G CA 0.420 45.189 45.100 -0.551 0.000 0.793 401 G HN 0.851 nan 8.290 nan 0.000 0.534 402 D N -1.316 118.743 120.400 -0.569 0.000 2.945 402 D HA 0.176 4.816 4.640 0.000 0.000 0.366 402 D C 0.322 176.464 176.300 -0.263 0.000 1.352 402 D CA -0.789 52.924 54.000 -0.478 0.000 0.810 402 D CB -0.751 39.846 40.800 -0.337 0.000 1.170 402 D HN 0.221 nan 8.370 nan 0.000 0.461 403 Q N 0.174 119.802 119.800 -0.287 0.000 2.439 403 Q HA -0.276 4.064 4.340 0.000 0.000 0.325 403 Q C -0.704 175.279 176.000 -0.028 0.000 1.372 403 Q CA 0.420 56.175 55.803 -0.079 0.000 0.909 403 Q CB -2.118 26.741 28.738 0.202 0.000 1.167 403 Q HN 0.557 nan 8.270 nan 0.000 0.418 404 Y N -2.237 117.981 120.300 -0.135 0.000 3.389 404 Y HA -0.328 4.222 4.550 -0.000 0.000 0.213 404 Y C 0.584 176.497 175.900 0.021 0.000 1.272 404 Y CA 1.273 59.308 58.100 -0.107 0.000 1.444 404 Y CB -2.536 35.728 38.460 -0.326 0.000 1.445 404 Y HN 0.586 nan 8.280 nan 0.000 0.583 405 E N -2.049 118.204 120.200 0.089 0.000 2.791 405 E HA -0.326 4.024 4.350 0.000 0.000 0.271 405 E C 0.700 177.360 176.600 0.099 0.000 1.044 405 E CA 0.690 57.143 56.400 0.088 0.000 0.814 405 E CB -0.550 29.223 29.700 0.123 0.000 1.400 405 E HN 0.615 nan 8.360 nan 0.000 0.423 406 Q N -1.575 118.293 119.800 0.114 0.000 2.171 406 Q HA 0.307 4.647 4.340 0.000 0.000 0.218 406 Q C 0.303 176.357 176.000 0.091 0.000 0.822 406 Q CA 0.589 56.465 55.803 0.121 0.000 0.987 406 Q CB 1.182 30.031 28.738 0.185 0.000 1.144 406 Q HN 0.347 nan 8.270 nan 0.000 0.494 407 A N 1.445 124.300 122.820 0.058 0.000 2.498 407 A HA 0.020 4.340 4.320 0.000 0.000 0.239 407 A C 0.210 177.828 177.584 0.056 0.000 1.068 407 A CA -0.074 51.991 52.037 0.047 0.000 0.766 407 A CB 0.154 19.161 19.000 0.012 0.000 1.003 407 A HN 0.023 nan 8.150 nan 0.000 0.497 408 D N 1.937 122.367 120.400 0.050 0.000 2.545 408 D HA 0.344 4.984 4.640 0.000 0.000 0.227 408 D C 1.152 177.470 176.300 0.031 0.000 1.150 408 D CA 1.236 55.256 54.000 0.034 0.000 1.046 408 D CB -0.982 39.831 40.800 0.021 0.000 1.098 408 D HN 1.136 nan 8.370 nan 0.000 0.502 409 G N 3.438 112.263 108.800 0.041 0.000 2.333 409 G HA2 -0.311 3.649 3.960 0.000 0.000 0.296 409 G HA3 -0.311 3.649 3.960 0.000 0.000 0.296 409 G C 0.171 175.090 174.900 0.032 0.000 1.059 409 G CA -0.132 44.986 45.100 0.030 0.000 1.050 409 G HN 0.503 nan 8.290 nan 0.000 0.508 410 F N 1.684 121.587 119.950 -0.078 0.000 2.563 410 F HA 0.438 4.965 4.527 0.000 0.000 0.363 410 F C -0.743 175.007 175.800 -0.083 0.000 1.123 410 F CA -1.390 56.545 58.000 -0.110 0.000 1.307 410 F CB 0.771 39.666 39.000 -0.175 0.000 1.115 410 F HN 0.107 nan 8.300 nan 0.000 0.592 411 P HA 0.023 nan 4.420 nan 0.000 0.231 411 P C 0.349 177.559 177.300 -0.150 0.000 1.756 411 P CA 0.222 63.108 63.100 -0.356 0.000 0.990 411 P CB -0.147 31.310 31.700 -0.404 0.000 1.973 412 T N 0.860 115.472 114.554 0.097 0.000 2.708 412 T HA -0.156 4.194 4.350 0.000 0.000 0.266 412 T C 1.966 176.698 174.700 0.054 0.000 1.037 412 T CA 1.897 64.080 62.100 0.138 0.000 1.146 412 T CB -0.291 68.647 68.868 0.117 0.000 0.865 412 T HN 0.293 nan 8.240 nan 0.000 0.435 413 A N 1.247 124.091 122.820 0.039 0.000 1.902 413 A HA -0.162 4.158 4.320 0.000 0.000 0.217 413 A C 2.307 179.918 177.584 0.044 0.000 1.181 413 A CA 1.530 53.593 52.037 0.044 0.000 0.623 413 A CB -0.636 18.384 19.000 0.032 0.000 0.818 413 A HN 0.383 nan 8.150 nan 0.000 0.443 414 Q N -0.701 119.105 119.800 0.011 0.000 2.124 414 Q HA -0.179 4.162 4.340 0.000 0.000 0.202 414 Q C 2.137 178.149 176.000 0.021 0.000 0.977 414 Q CA 1.942 57.748 55.803 0.007 0.000 0.850 414 Q CB -0.330 28.388 28.738 -0.033 0.000 0.901 414 Q HN 0.863 nan 8.270 nan 0.000 0.429 415 Q N -0.999 118.795 119.800 -0.010 0.000 2.187 415 Q HA -0.024 4.316 4.340 0.000 0.000 0.199 415 Q C 0.763 176.830 176.000 0.112 0.000 0.957 415 Q CA 1.002 56.770 55.803 -0.059 0.000 0.857 415 Q CB 0.055 28.651 28.738 -0.236 0.000 0.929 415 Q HN 0.470 nan 8.270 nan 0.000 0.453 416 G N 0.076 108.972 108.800 0.160 0.000 2.162 416 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 416 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 416 G C -0.495 174.638 174.900 0.388 0.000 0.976 416 G CA 0.741 46.042 45.100 0.335 0.000 0.655 416 G HN 0.509 nan 8.290 nan 0.000 0.533 417 W N -0.549 120.776 121.300 0.041 0.000 3.146 417 W HA 0.682 5.342 4.660 0.000 0.000 0.319 417 W C -1.087 175.421 176.519 -0.018 0.000 1.258 417 W CA -0.572 56.768 57.345 -0.008 0.000 1.189 417 W CB 0.583 29.928 29.460 -0.192 0.000 1.412 417 W HN 0.484 nan 8.180 nan 0.000 0.567 418 T N 3.155 117.663 114.554 -0.076 0.000 3.071 418 T HA 0.650 5.000 4.350 0.000 0.000 0.311 418 T C -0.083 174.699 174.700 0.136 0.000 1.042 418 T CA 0.367 62.322 62.100 -0.240 0.000 1.028 418 T CB 0.882 69.677 68.868 -0.122 0.000 1.068 418 T HN 1.820 nan 8.240 nan 0.000 0.451 419 G N 1.847 110.714 108.800 0.112 0.000 2.781 419 G HA2 0.258 4.218 3.960 0.000 0.000 0.683 419 G HA3 0.258 4.218 3.960 0.000 0.000 0.683 419 G C -0.457 174.739 174.900 0.493 0.000 1.390 419 G CA -0.173 45.140 45.100 0.356 0.000 0.850 419 G HN 1.279 nan 8.290 nan 0.000 0.557 420 S N -1.281 114.636 115.700 0.362 0.000 2.578 420 S HA 0.667 5.137 4.470 0.000 0.000 0.272 420 S C -0.495 174.206 174.600 0.168 0.000 1.145 420 S CA -0.405 57.912 58.200 0.195 0.000 0.835 420 S CB 0.995 64.264 63.200 0.115 0.000 1.104 420 S HN 1.121 nan 8.310 nan 0.000 0.458 421 L N 3.008 124.319 121.223 0.147 0.000 2.375 421 L HA 0.579 4.919 4.340 0.000 0.000 0.268 421 L C -0.059 176.955 176.870 0.241 0.000 1.058 421 L CA -0.915 54.066 54.840 0.235 0.000 0.803 421 L CB 0.791 42.996 42.059 0.243 0.000 1.212 421 L HN 0.585 nan 8.230 nan 0.000 0.451 422 L N 1.084 122.460 121.223 0.254 0.000 2.469 422 L HA 0.376 4.716 4.340 0.000 0.000 0.253 422 L C -0.005 177.077 176.870 0.353 0.000 1.143 422 L CA -0.892 54.121 54.840 0.289 0.000 0.804 422 L CB 0.602 42.746 42.059 0.143 0.000 1.214 422 L HN 0.361 nan 8.230 nan 0.000 0.476 423 L N 1.160 122.554 121.223 0.285 0.000 2.514 423 L HA 0.096 4.436 4.340 0.000 0.000 0.280 423 L C -2.100 174.795 176.870 0.042 0.000 1.223 423 L CA -1.583 53.312 54.840 0.092 0.000 0.864 423 L CB -0.303 41.797 42.059 0.068 0.000 1.118 423 L HN 0.256 nan 8.230 nan 0.000 0.494 424 P HA 0.129 nan 4.420 nan 0.000 0.265 424 P C -1.028 176.115 177.300 -0.262 0.000 1.193 424 P CA 0.202 63.031 63.100 -0.452 0.000 0.765 424 P CB 0.501 31.934 31.700 -0.444 0.000 0.823 425 R N 2.054 122.393 120.500 -0.268 0.000 2.599 425 R HA 0.362 4.702 4.340 0.000 0.000 0.295 425 R C -0.265 175.956 176.300 -0.132 0.000 0.963 425 R CA -0.783 55.246 56.100 -0.118 0.000 0.883 425 R CB 1.949 32.262 30.300 0.021 0.000 1.171 425 R HN 0.453 nan 8.270 nan 0.000 0.450 426 E N 2.163 122.302 120.200 -0.102 0.000 2.229 426 E HA 0.172 4.522 4.350 0.000 0.000 0.283 426 E C -0.870 175.702 176.600 -0.046 0.000 1.030 426 E CA -0.479 55.874 56.400 -0.077 0.000 0.836 426 E CB 0.928 30.579 29.700 -0.082 0.000 1.068 426 E HN 0.012 nan 8.360 nan 0.000 0.401 427 L N 4.599 125.819 121.223 -0.005 0.000 2.313 427 L HA 0.410 4.750 4.340 0.000 0.000 0.283 427 L C -0.172 176.608 176.870 -0.149 0.000 1.013 427 L CA -0.078 54.712 54.840 -0.083 0.000 0.816 427 L CB 1.013 43.054 42.059 -0.030 0.000 1.236 427 L HN 0.537 nan 8.230 nan 0.000 0.419 428 K N 1.681 121.923 120.400 -0.263 0.000 2.428 428 K HA 0.707 5.027 4.320 0.000 0.000 0.279 428 K C -1.545 174.819 176.600 -0.393 0.000 1.041 428 K CA -0.970 55.150 56.287 -0.277 0.000 0.887 428 K CB 1.294 33.713 32.500 -0.134 0.000 1.535 428 K HN 0.008 nan 8.250 nan 0.000 0.417 429 V N 2.119 121.861 119.914 -0.288 0.000 2.461 429 V HA 0.181 4.301 4.120 0.000 0.000 0.275 429 V C -0.306 175.731 176.094 -0.094 0.000 1.047 429 V CA -0.369 61.812 62.300 -0.198 0.000 0.955 429 V CB 0.948 32.741 31.823 -0.051 0.000 0.988 429 V HN 0.521 nan 8.190 nan 0.000 0.471 430 Q N 2.228 121.994 119.800 -0.057 0.000 2.245 430 Q HA 0.462 4.802 4.340 0.000 0.000 0.256 430 Q C -0.204 175.813 176.000 0.030 0.000 0.942 430 Q CA -0.097 55.701 55.803 -0.009 0.000 0.896 430 Q CB 2.065 30.809 28.738 0.010 0.000 1.272 430 Q HN 0.817 nan 8.270 nan 0.000 0.442 431 T N 1.072 115.639 114.554 0.021 0.000 2.829 431 T HA 0.586 4.936 4.350 0.000 0.000 0.280 431 T C -1.073 173.631 174.700 0.008 0.000 0.999 431 T CA -0.519 61.592 62.100 0.018 0.000 0.983 431 T CB 0.794 69.668 68.868 0.010 0.000 0.968 431 T HN 0.233 nan 8.240 nan 0.000 0.446 432 V N 5.852 125.755 119.914 -0.018 0.000 2.326 432 V HA 0.425 4.545 4.120 0.000 0.000 0.281 432 V C 0.084 176.139 176.094 -0.064 0.000 1.015 432 V CA -0.777 61.499 62.300 -0.040 0.000 0.823 432 V CB 1.027 32.797 31.823 -0.088 0.000 1.009 432 V HN 0.901 nan 8.190 nan 0.000 0.436 433 E N 2.961 123.140 120.200 -0.035 0.000 2.283 433 E HA 0.446 4.796 4.350 0.000 0.000 0.267 433 E C 0.087 176.667 176.600 -0.032 0.000 1.045 433 E CA -0.599 55.781 56.400 -0.033 0.000 0.884 433 E CB 0.687 30.377 29.700 -0.016 0.000 1.106 433 E HN 0.762 nan 8.360 nan 0.000 0.408 434 N N -0.748 117.933 118.700 -0.031 0.000 2.754 434 N HA -0.160 4.580 4.740 0.000 0.000 0.248 434 N C -1.163 174.331 175.510 -0.027 0.000 1.093 434 N CA -0.232 52.805 53.050 -0.022 0.000 0.699 434 N CB -1.092 37.389 38.487 -0.009 0.000 1.016 434 N HN 0.042 nan 8.380 nan 0.000 0.552 435 V N 1.105 120.983 119.914 -0.060 0.000 2.407 435 V HA 0.244 4.364 4.120 0.000 0.000 0.278 435 V C 0.990 177.052 176.094 -0.053 0.000 1.037 435 V CA -0.743 61.509 62.300 -0.080 0.000 0.900 435 V CB 1.754 33.439 31.823 -0.231 0.000 0.983 435 V HN 0.029 nan 8.190 nan 0.000 0.459 436 V N 4.146 124.056 119.914 -0.008 0.000 2.458 436 V HA -0.004 4.116 4.120 0.000 0.000 0.287 436 V C 0.853 176.951 176.094 0.007 0.000 1.009 436 V CA 0.096 62.403 62.300 0.010 0.000 1.091 436 V CB 0.458 32.303 31.823 0.037 0.000 0.960 436 V HN 0.894 nan 8.190 nan 0.000 0.476 437 D N 5.287 125.688 120.400 0.002 0.000 2.489 437 D HA 0.068 4.708 4.640 0.000 0.000 0.237 437 D C 0.242 176.566 176.300 0.039 0.000 1.212 437 D CA 0.097 54.103 54.000 0.011 0.000 1.058 437 D CB -0.106 40.699 40.800 0.007 0.000 1.098 437 D HN 0.845 nan 8.370 nan 0.000 0.509 438 N N 0.366 119.105 118.700 0.065 0.000 3.294 438 N HA 0.140 4.880 4.740 0.000 0.000 0.355 438 N C 1.151 176.730 175.510 0.115 0.000 1.497 438 N CA -0.636 52.462 53.050 0.081 0.000 0.707 438 N CB 0.237 38.774 38.487 0.083 0.000 1.732 438 N HN -0.074 nan 8.380 nan 0.000 0.640 439 E N 0.299 120.568 120.200 0.116 0.000 2.160 439 E HA -0.171 4.179 4.350 0.000 0.000 0.195 439 E C 1.534 178.258 176.600 0.207 0.000 0.991 439 E CA 1.205 57.687 56.400 0.137 0.000 0.810 439 E CB -0.737 29.032 29.700 0.114 0.000 0.742 439 E HN 0.630 nan 8.360 nan 0.000 0.466 440 L N 0.760 122.127 121.223 0.240 0.000 2.191 440 L HA -0.119 4.221 4.340 0.000 0.000 0.212 440 L C 2.508 179.693 176.870 0.525 0.000 1.103 440 L CA 0.798 55.849 54.840 0.351 0.000 0.769 440 L CB -0.204 42.054 42.059 0.332 0.000 0.908 440 L HN 0.019 nan 8.230 nan 0.000 0.438 441 V N -1.214 118.928 119.914 0.380 0.000 2.825 441 V HA -0.013 4.107 4.120 0.000 0.000 0.246 441 V C 1.976 178.325 176.094 0.425 0.000 1.068 441 V CA 0.834 63.367 62.300 0.388 0.000 1.088 441 V CB -0.288 31.583 31.823 0.081 0.000 0.733 441 V HN 0.353 nan 8.190 nan 0.000 0.468 442 R N 0.646 121.292 120.500 0.244 0.000 2.356 442 R HA 0.224 4.564 4.340 0.000 0.000 0.234 442 R C 0.742 177.092 176.300 0.084 0.000 0.929 442 R CA -0.183 56.000 56.100 0.138 0.000 1.084 442 R CB -0.375 29.979 30.300 0.091 0.000 1.105 442 R HN 0.609 nan 8.270 nan 0.000 0.515 443 E N 1.654 121.926 120.200 0.120 0.000 2.418 443 E HA -0.045 4.305 4.350 0.000 0.000 0.261 443 E C -0.610 175.939 176.600 -0.085 0.000 1.070 443 E CA 0.210 56.641 56.400 0.052 0.000 0.931 443 E CB 0.679 30.456 29.700 0.128 0.000 0.954 443 E HN 0.124 nan 8.360 nan 0.000 0.439 444 E N 0.602 120.752 120.200 -0.085 0.000 2.277 444 E HA 0.334 4.684 4.350 0.000 0.000 0.274 444 E C -0.097 176.349 176.600 -0.257 0.000 1.022 444 E CA 0.089 56.384 56.400 -0.176 0.000 0.853 444 E CB 1.299 30.908 29.700 -0.151 0.000 1.086 444 E HN 0.776 nan 8.360 nan 0.000 0.397 445 G N 1.107 109.638 108.800 -0.449 0.000 2.333 445 G HA2 -0.219 3.741 3.960 0.000 0.000 0.296 445 G HA3 -0.219 3.741 3.960 0.000 0.000 0.296 445 G C -0.249 174.486 174.900 -0.275 0.000 1.059 445 G CA 0.184 44.828 45.100 -0.761 0.000 1.050 445 G HN 0.301 nan 8.290 nan 0.000 0.508 446 V N -0.333 119.433 119.914 -0.246 0.000 3.234 446 V HA 0.715 4.835 4.120 0.000 0.000 0.317 446 V C 1.301 177.161 176.094 -0.391 0.000 1.147 446 V CA 0.247 62.100 62.300 -0.744 0.000 1.037 446 V CB 2.075 32.928 31.823 -1.615 0.000 1.148 446 V HN 0.407 nan 8.190 nan 0.000 0.455 447 S N 1.575 116.920 115.700 -0.592 0.000 2.622 447 S HA 0.217 4.687 4.470 0.000 0.000 0.236 447 S C -0.686 174.161 174.600 0.411 0.000 0.956 447 S CA -0.231 58.004 58.200 0.058 0.000 0.971 447 S CB -0.482 63.017 63.200 0.499 0.000 0.782 447 S HN 0.629 nan 8.310 nan 0.000 0.468 448 W N -0.414 120.991 121.300 0.176 0.000 3.005 448 W HA 0.694 5.354 4.660 -0.000 0.000 0.343 448 W C -1.600 174.975 176.519 0.094 0.000 1.243 448 W CA -1.384 56.065 57.345 0.173 0.000 1.186 448 W CB 0.486 30.028 29.460 0.137 0.000 1.453 448 W HN -0.094 nan 8.180 nan 0.000 0.575 449 V N -0.932 119.178 119.914 0.326 0.000 3.007 449 V HA 0.782 4.902 4.120 0.000 0.000 0.311 449 V C -0.924 175.287 176.094 0.195 0.000 1.120 449 V CA -1.456 60.952 62.300 0.181 0.000 0.980 449 V CB 1.094 32.972 31.823 0.091 0.000 1.033 449 V HN 0.700 nan 8.190 nan 0.000 0.429 450 V N 3.235 123.228 119.914 0.132 0.000 2.439 450 V HA 0.413 4.533 4.120 0.000 0.000 0.271 450 V C 1.559 177.683 176.094 0.050 0.000 1.040 450 V CA 1.098 63.445 62.300 0.078 0.000 1.002 450 V CB 0.595 32.450 31.823 0.054 0.000 1.000 450 V HN 1.226 nan 8.190 nan 0.000 0.477 451 G N 4.445 113.268 108.800 0.038 0.000 2.603 451 G HA2 0.181 4.141 3.960 0.000 0.000 0.214 451 G HA3 0.181 4.141 3.960 0.000 0.000 0.214 451 G C 0.326 175.236 174.900 0.017 0.000 1.140 451 G CA 0.562 45.680 45.100 0.031 0.000 0.800 451 G HN 0.841 nan 8.290 nan 0.000 0.533 452 E N -2.088 118.118 120.200 0.009 0.000 2.419 452 E HA 0.524 4.874 4.350 0.000 0.000 0.285 452 E C -1.619 174.980 176.600 -0.001 0.000 1.079 452 E CA -0.885 55.518 56.400 0.004 0.000 0.864 452 E CB 0.915 30.617 29.700 0.003 0.000 1.216 452 E HN 0.027 nan 8.360 nan 0.000 0.428 453 S N 0.351 116.051 115.700 0.000 0.000 2.578 453 S HA 0.403 4.873 4.470 0.000 0.000 0.272 453 S C -1.666 172.935 174.600 0.001 0.000 1.145 453 S CA -0.509 57.690 58.200 -0.002 0.000 0.835 453 S CB 1.468 64.668 63.200 -0.000 0.000 1.104 453 S HN 0.562 nan 8.310 nan 0.000 0.458 454 D N 1.776 122.176 120.400 0.000 0.000 2.599 454 D HA 0.363 5.003 4.640 0.000 0.000 0.249 454 D C 0.161 176.463 176.300 0.004 0.000 1.313 454 D CA -0.170 53.831 54.000 0.002 0.000 0.815 454 D CB 0.105 40.906 40.800 0.001 0.000 1.077 454 D HN 0.551 nan 8.370 nan 0.000 0.492 455 N N 0.181 118.884 118.700 0.005 0.000 2.936 455 N HA -0.229 4.511 4.740 0.000 0.000 0.236 455 N C 1.203 176.717 175.510 0.008 0.000 0.930 455 N CA 1.700 54.755 53.050 0.008 0.000 0.966 455 N CB -0.601 37.891 38.487 0.009 0.000 1.090 455 N HN 0.404 nan 8.380 nan 0.000 0.592 456 Q N -0.067 119.736 119.800 0.005 0.000 2.530 456 Q HA 0.239 4.579 4.340 0.000 0.000 0.198 456 Q C 0.996 176.997 176.000 0.002 0.000 0.956 456 Q CA 1.209 57.015 55.803 0.005 0.000 0.870 456 Q CB -0.210 28.530 28.738 0.004 0.000 1.050 456 Q HN 0.397 nan 8.270 nan 0.000 0.604 457 T N -1.971 112.581 114.554 -0.004 0.000 2.916 457 T HA 0.899 5.249 4.350 0.000 0.000 0.292 457 T C -0.780 173.907 174.700 -0.020 0.000 1.055 457 T CA -0.459 61.633 62.100 -0.013 0.000 1.009 457 T CB 2.018 70.879 68.868 -0.012 0.000 1.118 457 T HN 0.532 nan 8.240 nan 0.000 0.497 458 A N 0.920 123.717 122.820 -0.039 0.000 2.564 458 A HA 0.856 5.176 4.320 0.000 0.000 0.288 458 A C -0.478 177.068 177.584 -0.064 0.000 1.164 458 A CA -0.990 51.021 52.037 -0.044 0.000 0.712 458 A CB 1.482 20.455 19.000 -0.045 0.000 1.303 458 A HN 0.882 nan 8.150 nan 0.000 0.418 459 T N 1.392 115.916 114.554 -0.050 0.000 2.791 459 T HA 0.532 4.882 4.350 0.000 0.000 0.288 459 T C -0.743 173.926 174.700 -0.052 0.000 0.999 459 T CA -0.173 61.896 62.100 -0.052 0.000 0.952 459 T CB 0.473 69.328 68.868 -0.022 0.000 0.938 459 T HN 0.361 nan 8.240 nan 0.000 0.444 460 L N 3.315 124.479 121.223 -0.098 0.000 2.379 460 L HA 0.578 4.918 4.340 0.000 0.000 0.269 460 L C 0.644 177.529 176.870 0.025 0.000 1.084 460 L CA -0.155 54.642 54.840 -0.071 0.000 0.802 460 L CB 0.647 42.536 42.059 -0.283 0.000 1.175 460 L HN 0.461 nan 8.230 nan 0.000 0.448 461 R N 0.357 120.928 120.500 0.118 0.000 2.561 461 R HA 0.738 5.078 4.340 0.000 0.000 0.297 461 R C -0.752 175.705 176.300 0.260 0.000 0.969 461 R CA -0.532 55.658 56.100 0.152 0.000 0.879 461 R CB 2.186 32.567 30.300 0.135 0.000 1.178 461 R HN 0.692 nan 8.270 nan 0.000 0.445 462 T N 1.123 115.827 114.554 0.249 0.000 2.711 462 T HA 0.287 4.637 4.350 0.000 0.000 0.302 462 T C -1.471 173.290 174.700 0.101 0.000 1.373 462 T CA -0.676 61.623 62.100 0.331 0.000 1.000 462 T CB 1.229 70.357 68.868 0.433 0.000 1.483 462 T HN 0.332 nan 8.240 nan 0.000 0.499 463 L N 2.268 123.373 121.223 -0.196 0.000 2.410 463 L HA 0.568 4.908 4.340 0.000 0.000 0.273 463 L C 0.604 177.287 176.870 -0.311 0.000 1.144 463 L CA 0.009 54.467 54.840 -0.636 0.000 0.863 463 L CB 0.173 41.247 42.059 -1.641 0.000 1.140 463 L HN 0.886 nan 8.230 nan 0.000 0.463 464 G N 6.511 115.137 108.800 -0.290 0.000 2.322 464 G HA2 0.544 4.504 3.960 0.000 0.000 0.309 464 G HA3 0.544 4.504 3.960 0.000 0.000 0.309 464 G C -0.595 174.237 174.900 -0.113 0.000 1.121 464 G CA -0.500 44.523 45.100 -0.128 0.000 0.886 464 G HN 0.642 nan 8.290 nan 0.000 0.447 465 I N 2.750 123.318 120.570 -0.003 0.000 2.411 465 I HA 0.369 4.539 4.170 0.000 0.000 0.284 465 I C 0.127 176.298 176.117 0.090 0.000 1.012 465 I CA -0.602 60.727 61.300 0.048 0.000 1.119 465 I CB 1.881 39.958 38.000 0.128 0.000 1.261 465 I HN 0.555 nan 8.210 nan 0.000 0.448 466 T N 2.804 117.363 114.554 0.008 0.000 2.901 466 T HA 0.655 5.005 4.350 0.000 0.000 0.293 466 T C -0.229 174.376 174.700 -0.159 0.000 1.084 466 T CA -0.836 61.213 62.100 -0.085 0.000 1.008 466 T CB 1.895 70.711 68.868 -0.087 0.000 1.170 466 T HN 0.235 nan 8.240 nan 0.000 0.509 467 I N 1.831 122.204 120.570 -0.329 0.000 2.588 467 I HA 0.388 4.558 4.170 0.000 0.000 0.283 467 I C 1.288 177.302 176.117 -0.173 0.000 1.119 467 I CA -0.642 60.489 61.300 -0.281 0.000 1.419 467 I CB 0.602 38.387 38.000 -0.357 0.000 1.394 467 I HN 0.953 nan 8.210 nan 0.000 0.562 468 A N 7.147 129.878 122.820 -0.147 0.000 2.566 468 A HA -0.011 4.309 4.320 0.000 0.000 0.245 468 A C 1.722 179.232 177.584 -0.123 0.000 1.056 468 A CA -0.079 51.873 52.037 -0.143 0.000 0.757 468 A CB -0.016 18.887 19.000 -0.161 0.000 0.979 468 A HN 0.976 nan 8.150 nan 0.000 0.508 469 R N 2.098 122.529 120.500 -0.114 0.000 2.133 469 R HA -0.252 4.088 4.340 0.000 0.000 0.247 469 R C 0.845 177.082 176.300 -0.105 0.000 1.151 469 R CA 2.205 58.244 56.100 -0.101 0.000 0.971 469 R CB -0.400 29.848 30.300 -0.086 0.000 0.866 469 R HN 0.732 nan 8.270 nan 0.000 0.447 470 E N 0.427 120.559 120.200 -0.114 0.000 2.208 470 E HA -0.052 4.298 4.350 0.000 0.000 0.193 470 E C 1.856 178.370 176.600 -0.143 0.000 0.988 470 E CA 1.743 58.064 56.400 -0.131 0.000 0.828 470 E CB -0.005 29.611 29.700 -0.138 0.000 0.763 470 E HN 0.394 nan 8.360 nan 0.000 0.478 471 T N 0.434 114.927 114.554 -0.102 0.000 2.851 471 T HA -0.090 4.260 4.350 0.000 0.000 0.262 471 T C 1.752 176.425 174.700 -0.045 0.000 1.043 471 T CA 1.055 63.126 62.100 -0.048 0.000 1.140 471 T CB -0.052 68.819 68.868 0.005 0.000 0.872 471 T HN 0.064 nan 8.240 nan 0.000 0.446 472 K N 1.145 121.501 120.400 -0.074 0.000 2.026 472 K HA -0.030 4.290 4.320 0.000 0.000 0.208 472 K C 2.499 179.061 176.600 -0.065 0.000 1.048 472 K CA 1.223 57.470 56.287 -0.068 0.000 0.929 472 K CB -0.309 32.133 32.500 -0.097 0.000 0.713 472 K HN 0.255 nan 8.250 nan 0.000 0.439 473 A N 1.012 123.776 122.820 -0.094 0.000 1.902 473 A HA -0.130 4.190 4.320 0.000 0.000 0.217 473 A C 2.322 179.819 177.584 -0.145 0.000 1.181 473 A CA 1.962 53.937 52.037 -0.103 0.000 0.623 473 A CB -0.852 18.081 19.000 -0.112 0.000 0.818 473 A HN 0.490 nan 8.150 nan 0.000 0.443 474 A N -0.340 122.334 122.820 -0.243 0.000 1.933 474 A HA -0.024 4.296 4.320 0.000 0.000 0.218 474 A C 2.135 179.557 177.584 -0.271 0.000 1.175 474 A CA 1.437 53.184 52.037 -0.484 0.000 0.628 474 A CB -0.594 17.800 19.000 -1.009 0.000 0.814 474 A HN 0.478 nan 8.150 nan 0.000 0.444 475 L N -0.946 120.282 121.223 0.008 0.000 2.131 475 L HA -0.147 4.193 4.340 0.000 0.000 0.210 475 L C 2.220 179.159 176.870 0.114 0.000 1.092 475 L CA 0.993 55.959 54.840 0.209 0.000 0.759 475 L CB -0.333 41.819 42.059 0.155 0.000 0.903 475 L HN 0.380 nan 8.230 nan 0.000 0.435 476 L N -1.728 119.516 121.223 0.035 0.000 2.463 476 L HA 0.123 4.463 4.340 0.000 0.000 0.219 476 L C 2.719 179.593 176.870 0.007 0.000 1.088 476 L CA 0.336 55.194 54.840 0.030 0.000 0.849 476 L CB -0.538 41.529 42.059 0.013 0.000 1.012 476 L HN 0.116 nan 8.230 nan 0.000 0.468 477 A N 1.373 124.174 122.820 -0.033 0.000 1.882 477 A HA -0.263 4.057 4.320 0.000 0.000 0.220 477 A C 1.588 179.162 177.584 -0.017 0.000 1.253 477 A CA 2.376 54.385 52.037 -0.047 0.000 0.664 477 A CB -0.579 18.359 19.000 -0.103 0.000 0.838 477 A HN 0.520 nan 8.150 nan 0.000 0.460 478 N N -0.092 118.610 118.700 0.003 0.000 2.328 478 N HA 0.225 4.965 4.740 0.000 0.000 0.247 478 N C 0.265 175.800 175.510 0.040 0.000 1.165 478 N CA 0.638 53.698 53.050 0.018 0.000 0.873 478 N CB 0.574 39.071 38.487 0.016 0.000 1.125 478 N HN 0.455 nan 8.380 nan 0.000 0.513 479 G N -0.082 108.748 108.800 0.051 0.000 2.425 479 G HA2 0.215 4.175 3.960 0.000 0.000 0.302 479 G HA3 0.215 4.175 3.960 0.000 0.000 0.302 479 G C -0.265 174.671 174.900 0.059 0.000 1.159 479 G CA -0.207 44.936 45.100 0.071 0.000 0.865 479 G HN 0.062 nan 8.290 nan 0.000 0.515 480 S N -0.245 115.494 115.700 0.066 0.000 2.523 480 S HA 0.386 4.856 4.470 0.000 0.000 0.275 480 S C 0.121 174.755 174.600 0.055 0.000 1.281 480 S CA -0.596 57.636 58.200 0.053 0.000 1.050 480 S CB 0.555 63.786 63.200 0.052 0.000 0.937 480 S HN 0.421 nan 8.310 nan 0.000 0.492 481 V N 5.307 125.247 119.914 0.042 0.000 2.427 481 V HA 0.520 4.640 4.120 0.000 0.000 0.286 481 V C 0.044 176.157 176.094 0.032 0.000 1.034 481 V CA -0.481 61.842 62.300 0.040 0.000 0.893 481 V CB 1.671 33.513 31.823 0.032 0.000 0.982 481 V HN 0.966 nan 8.190 nan 0.000 0.452 482 T N 4.141 118.714 114.554 0.032 0.000 2.965 482 T HA 0.648 4.998 4.350 0.000 0.000 0.306 482 T C -0.089 174.618 174.700 0.012 0.000 0.991 482 T CA -0.235 61.879 62.100 0.023 0.000 1.001 482 T CB 1.463 70.349 68.868 0.030 0.000 0.984 482 T HN 0.913 nan 8.240 nan 0.000 0.446 483 A N 3.103 125.921 122.820 -0.003 0.000 2.279 483 A HA 0.827 5.147 4.320 0.000 0.000 0.303 483 A C -0.137 177.407 177.584 -0.068 0.000 1.108 483 A CA -0.644 51.380 52.037 -0.023 0.000 0.830 483 A CB 0.632 19.628 19.000 -0.007 0.000 1.106 483 A HN 0.628 nan 8.150 nan 0.000 0.493 484 E N 0.937 121.072 120.200 -0.108 0.000 2.256 484 E HA 0.289 4.639 4.350 0.000 0.000 0.267 484 E C -0.819 175.752 176.600 -0.048 0.000 0.892 484 E CA -0.721 55.589 56.400 -0.151 0.000 0.775 484 E CB 1.434 30.891 29.700 -0.405 0.000 1.207 484 E HN 0.642 nan 8.360 nan 0.000 0.420 485 E N 1.301 121.474 120.200 -0.046 0.000 2.413 485 E HA 0.029 4.379 4.350 0.000 0.000 0.263 485 E C -0.544 176.033 176.600 -0.039 0.000 1.015 485 E CA 0.041 56.417 56.400 -0.039 0.000 0.916 485 E CB 0.526 30.194 29.700 -0.054 0.000 0.947 485 E HN 0.286 nan 8.360 nan 0.000 0.440 486 D N 1.745 122.134 120.400 -0.017 0.000 2.506 486 D HA 0.014 4.654 4.640 0.000 0.000 0.234 486 D C -0.052 176.206 176.300 -0.070 0.000 1.143 486 D CA 0.903 54.901 54.000 -0.003 0.000 0.871 486 D CB 0.494 41.293 40.800 -0.002 0.000 1.190 486 D HN 0.149 nan 8.370 nan 0.000 0.459 487 R N 0.706 121.161 120.500 -0.074 0.000 2.668 487 R HA 0.551 4.891 4.340 0.000 0.000 0.272 487 R C -1.071 175.203 176.300 -0.043 0.000 1.019 487 R CA -0.851 55.150 56.100 -0.166 0.000 0.894 487 R CB 2.125 32.117 30.300 -0.513 0.000 1.228 487 R HN 0.212 nan 8.270 nan 0.000 0.460 488 T N 3.077 117.585 114.554 -0.077 0.000 2.864 488 T HA 0.385 4.735 4.350 0.000 0.000 0.310 488 T C -0.398 174.247 174.700 -0.091 0.000 1.040 488 T CA -0.592 61.465 62.100 -0.071 0.000 0.977 488 T CB 0.535 69.356 68.868 -0.080 0.000 0.976 488 T HN 0.175 nan 8.240 nan 0.000 0.459 489 L N 3.468 124.625 121.223 -0.110 0.000 2.289 489 L HA 0.441 4.781 4.340 0.000 0.000 0.285 489 L C 1.068 177.779 176.870 -0.265 0.000 1.049 489 L CA -0.329 54.422 54.840 -0.148 0.000 0.804 489 L CB 1.551 43.560 42.059 -0.084 0.000 1.195 489 L HN 0.705 nan 8.230 nan 0.000 0.428 490 Q N 0.571 120.331 119.800 -0.066 0.000 2.586 490 Q HA 0.092 4.432 4.340 0.000 0.000 0.243 490 Q C 0.638 176.734 176.000 0.160 0.000 0.846 490 Q CA 0.009 55.822 55.803 0.016 0.000 0.959 490 Q CB 0.787 29.525 28.738 0.000 0.000 1.227 490 Q HN 0.690 nan 8.270 nan 0.000 0.611 491 T N 0.388 115.009 114.554 0.112 0.000 2.828 491 T HA 0.475 4.825 4.350 0.000 0.000 0.290 491 T C -0.163 174.621 174.700 0.141 0.000 1.019 491 T CA -0.174 61.984 62.100 0.097 0.000 1.031 491 T CB 0.759 69.655 68.868 0.046 0.000 1.001 491 T HN 0.265 nan 8.240 nan 0.000 0.531 492 A N 1.603 124.438 122.820 0.025 0.000 2.520 492 A HA 0.586 4.906 4.320 0.000 0.000 0.245 492 A C 0.381 177.982 177.584 0.028 0.000 1.072 492 A CA 0.206 52.217 52.037 -0.042 0.000 0.761 492 A CB -0.864 18.095 19.000 -0.070 0.000 1.004 492 A HN 1.440 nan 8.150 nan 0.000 0.499 493 A N 1.661 124.505 122.820 0.040 0.000 2.597 493 A HA 0.611 4.931 4.320 0.000 0.000 0.292 493 A C -1.298 176.378 177.584 0.154 0.000 1.057 493 A CA -0.378 51.714 52.037 0.091 0.000 0.674 493 A CB 1.086 20.137 19.000 0.084 0.000 1.278 493 A HN 1.455 nan 8.150 nan 0.000 0.416 494 V N 1.539 121.560 119.914 0.178 0.000 2.398 494 V HA 0.478 4.598 4.120 0.000 0.000 0.282 494 V C -0.766 175.443 176.094 0.192 0.000 1.014 494 V CA -0.462 61.978 62.300 0.234 0.000 0.838 494 V CB 1.290 33.241 31.823 0.214 0.000 1.018 494 V HN 0.759 nan 8.190 nan 0.000 0.432 495 V N 7.570 127.631 119.914 0.245 0.000 2.357 495 V HA 0.449 4.569 4.120 0.000 0.000 0.284 495 V C -2.033 174.270 176.094 0.348 0.000 1.018 495 V CA -1.917 60.534 62.300 0.251 0.000 0.841 495 V CB 2.067 34.014 31.823 0.206 0.000 0.991 495 V HN 0.641 nan 8.190 nan 0.000 0.437 496 P HA 0.149 nan 4.420 nan 0.000 0.271 496 P C -0.444 177.089 177.300 0.390 0.000 1.218 496 P CA -0.261 62.982 63.100 0.238 0.000 0.780 496 P CB 0.652 32.434 31.700 0.138 0.000 0.901 497 F N 0.991 120.968 119.950 0.046 0.000 2.496 497 F HA 0.126 4.653 4.527 0.000 0.000 0.344 497 F C 2.038 177.872 175.800 0.056 0.000 1.155 497 F CA -0.323 57.704 58.000 0.045 0.000 1.302 497 F CB -0.546 38.402 39.000 -0.086 0.000 1.159 497 F HN 0.430 nan 8.300 nan 0.000 0.595 498 A N 1.855 124.779 122.820 0.173 0.000 1.972 498 A HA -0.143 4.177 4.320 0.000 0.000 0.219 498 A C 0.692 178.333 177.584 0.095 0.000 1.169 498 A CA 1.326 53.422 52.037 0.099 0.000 0.635 498 A CB -0.420 18.605 19.000 0.041 0.000 0.810 498 A HN 0.707 nan 8.150 nan 0.000 0.446 499 Q N -0.484 119.389 119.800 0.121 0.000 2.280 499 Q HA 0.468 4.808 4.340 0.000 0.000 0.259 499 Q C -1.577 174.486 176.000 0.106 0.000 0.964 499 Q CA -0.313 55.542 55.803 0.087 0.000 0.844 499 Q CB 1.601 30.372 28.738 0.054 0.000 1.334 499 Q HN 0.274 nan 8.270 nan 0.000 0.423 500 S N 3.947 119.673 115.700 0.043 0.000 2.608 500 S HA 0.637 5.107 4.470 0.000 0.000 0.291 500 S C -2.333 172.221 174.600 -0.077 0.000 1.146 500 S CA -0.952 57.219 58.200 -0.049 0.000 1.043 500 S CB 1.226 64.365 63.200 -0.100 0.000 1.037 500 S HN 0.583 nan 8.310 nan 0.000 0.520 501 P HA 0.128 nan 4.420 nan 0.000 0.271 501 P C -0.040 177.240 177.300 -0.033 0.000 1.233 501 P CA -0.126 62.911 63.100 -0.106 0.000 0.789 501 P CB 0.651 32.214 31.700 -0.228 0.000 0.951 502 S N -1.219 114.501 115.700 0.034 0.000 2.554 502 S HA 0.186 4.656 4.470 0.000 0.000 0.226 502 S C 0.516 175.176 174.600 0.100 0.000 0.980 502 S CA -0.092 58.142 58.200 0.055 0.000 0.939 502 S CB -0.399 62.835 63.200 0.056 0.000 0.832 502 S HN 0.689 nan 8.310 nan 0.000 0.486 503 S N 0.008 115.798 115.700 0.149 0.000 2.685 503 S HA 0.523 4.993 4.470 0.000 0.000 0.282 503 S C -0.675 174.065 174.600 0.233 0.000 1.159 503 S CA -0.913 57.419 58.200 0.220 0.000 0.833 503 S CB 1.170 64.581 63.200 0.352 0.000 1.151 503 S HN 0.163 nan 8.310 nan 0.000 0.485 504 K N 0.260 120.699 120.400 0.065 0.000 2.684 504 K HA 0.309 4.629 4.320 0.000 0.000 0.215 504 K C -1.364 174.929 176.600 -0.511 0.000 1.073 504 K CA 0.105 56.313 56.287 -0.132 0.000 1.197 504 K CB -0.346 31.994 32.500 -0.266 0.000 0.955 504 K HN 0.476 nan 8.250 nan 0.000 0.473 505 F N 1.773 121.827 119.950 0.172 0.000 2.532 505 F HA 0.347 4.874 4.527 -0.000 0.000 0.365 505 F C -0.395 175.502 175.800 0.162 0.000 1.112 505 F CA -1.321 56.712 58.000 0.054 0.000 1.082 505 F CB 0.606 39.647 39.000 0.069 0.000 1.319 505 F HN -0.042 nan 8.300 nan 0.000 0.457 506 F N -0.030 120.008 119.950 0.145 0.000 2.773 506 F HA 0.864 5.391 4.527 -0.000 0.000 0.314 506 F C -2.111 173.735 175.800 0.077 0.000 1.160 506 F CA -1.682 56.380 58.000 0.103 0.000 0.920 506 F CB 1.099 40.133 39.000 0.057 0.000 1.323 506 F HN -0.115 nan 8.300 nan 0.000 0.457 507 V N 2.477 122.593 119.914 0.337 0.000 2.483 507 V HA 0.576 4.696 4.120 0.000 0.000 0.297 507 V C -1.201 175.065 176.094 0.287 0.000 1.027 507 V CA -0.559 61.869 62.300 0.213 0.000 0.855 507 V CB 1.478 33.381 31.823 0.134 0.000 0.995 507 V HN 0.834 nan 8.190 nan 0.000 0.424 508 L N 5.902 127.280 121.223 0.257 0.000 2.296 508 L HA 0.885 5.225 4.340 0.000 0.000 0.286 508 L C 0.221 177.132 176.870 0.067 0.000 1.023 508 L CA 0.438 55.359 54.840 0.135 0.000 0.812 508 L CB 1.835 43.931 42.059 0.062 0.000 1.223 508 L HN 0.847 nan 8.230 nan 0.000 0.421 509 T N 2.552 117.135 114.554 0.049 0.000 2.887 509 T HA 0.997 5.347 4.350 0.000 0.000 0.288 509 T C -0.461 174.288 174.700 0.080 0.000 1.021 509 T CA -0.229 61.913 62.100 0.069 0.000 1.000 509 T CB 1.782 70.693 68.868 0.072 0.000 1.034 509 T HN 1.146 nan 8.240 nan 0.000 0.467 510 A N 1.807 124.712 122.820 0.142 0.000 2.586 510 A HA 0.710 5.030 4.320 0.000 0.000 0.291 510 A C -1.754 175.962 177.584 0.219 0.000 1.062 510 A CA -1.076 51.108 52.037 0.246 0.000 0.666 510 A CB 1.488 20.765 19.000 0.462 0.000 1.281 510 A HN 0.801 nan 8.150 nan 0.000 0.421 511 Q N 0.153 120.074 119.800 0.201 0.000 2.304 511 Q HA 0.618 4.957 4.340 0.000 0.000 0.270 511 Q C -1.813 174.168 176.000 -0.032 0.000 1.035 511 Q CA -0.712 55.131 55.803 0.066 0.000 0.781 511 Q CB 2.392 31.145 28.738 0.025 0.000 1.261 511 Q HN 0.509 nan 8.270 nan 0.000 0.444 512 L N 2.206 123.298 121.223 -0.218 0.000 2.333 512 L HA 0.388 4.728 4.340 0.000 0.000 0.280 512 L C -0.390 176.002 176.870 -0.796 0.000 1.004 512 L CA -0.094 54.383 54.840 -0.606 0.000 0.820 512 L CB 1.742 43.363 42.059 -0.730 0.000 1.247 512 L HN 0.527 nan 8.230 nan 0.000 0.416 513 E N 3.277 123.019 120.200 -0.764 0.000 2.158 513 E HA 0.551 4.901 4.350 0.000 0.000 0.271 513 E C -1.350 174.883 176.600 -0.612 0.000 0.911 513 E CA -0.438 55.629 56.400 -0.555 0.000 0.767 513 E CB 1.497 31.032 29.700 -0.275 0.000 1.120 513 E HN 0.209 nan 8.360 nan 0.000 0.405 514 F N 3.038 122.970 119.950 -0.031 0.000 2.538 514 F HA 0.460 4.987 4.527 -0.000 0.000 0.325 514 F C -1.972 173.813 175.800 -0.024 0.000 1.066 514 F CA -2.565 55.442 58.000 0.011 0.000 0.946 514 F CB 0.986 40.108 39.000 0.204 0.000 1.199 514 F HN 0.264 nan 8.300 nan 0.000 0.473 515 P HA 0.282 nan 4.420 nan 0.000 0.284 515 P C -0.120 177.161 177.300 -0.031 0.000 1.258 515 P CA -0.326 62.793 63.100 0.032 0.000 0.824 515 P CB 1.743 33.446 31.700 0.006 0.000 1.038 516 A N 2.638 125.434 122.820 -0.039 0.000 1.948 516 A HA -0.222 4.098 4.320 0.000 0.000 0.220 516 A C 2.210 179.704 177.584 -0.150 0.000 1.177 516 A CA 2.584 54.572 52.037 -0.081 0.000 0.636 516 A CB -1.798 17.180 19.000 -0.037 0.000 0.815 516 A HN 0.697 nan 8.150 nan 0.000 0.449 517 S N 0.017 115.648 115.700 -0.114 0.000 2.440 517 S HA 0.012 4.482 4.470 0.000 0.000 0.238 517 S C 1.878 176.359 174.600 -0.199 0.000 1.010 517 S CA 1.265 59.393 58.200 -0.120 0.000 0.972 517 S CB -0.636 62.522 63.200 -0.072 0.000 0.774 517 S HN 1.010 nan 8.310 nan 0.000 0.501 518 A N 1.831 124.474 122.820 -0.295 0.000 2.121 518 A HA 0.087 4.407 4.320 0.000 0.000 0.218 518 A C 2.303 179.352 177.584 -0.892 0.000 1.154 518 A CA 0.720 52.474 52.037 -0.473 0.000 0.679 518 A CB -0.524 18.215 19.000 -0.434 0.000 0.795 518 A HN 0.566 nan 8.150 nan 0.000 0.458 519 R N 0.280 120.271 120.500 -0.848 0.000 2.096 519 R HA -0.111 4.229 4.340 0.000 0.000 0.235 519 R C 2.106 178.260 176.300 -0.245 0.000 1.127 519 R CA 1.699 57.393 56.100 -0.677 0.000 0.968 519 R CB -0.254 29.870 30.300 -0.293 0.000 0.861 519 R HN 0.683 nan 8.270 nan 0.000 0.440 520 S N -0.227 115.362 115.700 -0.184 0.000 2.556 520 S HA 0.034 4.504 4.470 0.000 0.000 0.216 520 S C 0.770 175.329 174.600 -0.069 0.000 0.970 520 S CA -0.372 57.778 58.200 -0.083 0.000 0.912 520 S CB 0.200 63.362 63.200 -0.062 0.000 0.790 520 S HN 0.183 nan 8.310 nan 0.000 0.504 521 S N 1.678 117.318 115.700 -0.101 0.000 2.632 521 S HA 0.496 4.966 4.470 0.000 0.000 0.271 521 S C -2.669 171.919 174.600 -0.020 0.000 1.260 521 S CA -1.236 56.928 58.200 -0.061 0.000 1.010 521 S CB 0.623 63.780 63.200 -0.072 0.000 0.965 521 S HN 0.039 nan 8.310 nan 0.000 0.534 522 P HA 0.234 nan 4.420 nan 0.000 0.253 522 P C 0.091 177.373 177.300 -0.029 0.000 1.508 522 P CA -0.360 62.727 63.100 -0.021 0.000 0.883 522 P CB -0.230 31.450 31.700 -0.033 0.000 1.519 523 L N 0.433 121.655 121.223 -0.003 0.000 2.514 523 L HA 0.014 4.354 4.340 0.000 0.000 0.280 523 L C -0.210 176.657 176.870 -0.006 0.000 1.223 523 L CA 0.843 55.682 54.840 -0.002 0.000 0.864 523 L CB 0.201 42.315 42.059 0.092 0.000 1.118 523 L HN 0.070 nan 8.230 nan 0.000 0.494 524 Q N 4.168 123.928 119.800 -0.068 0.000 2.309 524 Q HA 0.415 4.755 4.340 0.000 0.000 0.254 524 Q C -1.532 174.450 176.000 -0.031 0.000 0.938 524 Q CA -0.528 55.262 55.803 -0.022 0.000 0.789 524 Q CB 2.105 30.731 28.738 -0.187 0.000 1.313 524 Q HN 0.689 nan 8.270 nan 0.000 0.438 525 S N 0.532 116.381 115.700 0.249 0.000 2.541 525 S HA 0.964 5.434 4.470 0.000 0.000 0.280 525 S C -0.273 174.619 174.600 0.486 0.000 1.112 525 S CA -0.272 58.125 58.200 0.327 0.000 0.925 525 S CB 1.980 65.451 63.200 0.451 0.000 1.067 525 S HN 0.863 nan 8.310 nan 0.000 0.479 526 G N 1.360 110.450 108.800 0.484 0.000 2.593 526 G HA2 0.525 4.485 3.960 0.000 0.000 0.103 526 G HA3 0.525 4.485 3.960 0.000 0.000 0.103 526 G C -2.122 172.716 174.900 -0.105 0.000 1.103 526 G CA -0.494 44.803 45.100 0.329 0.000 1.109 526 G HN 0.494 nan 8.290 nan 0.000 0.516 527 F N 0.263 120.479 119.950 0.444 0.000 2.629 527 F HA 0.714 5.241 4.527 -0.000 0.000 0.316 527 F C -0.198 175.682 175.800 0.133 0.000 1.081 527 F CA -0.726 57.405 58.000 0.219 0.000 0.954 527 F CB 2.514 41.547 39.000 0.054 0.000 1.337 527 F HN 0.303 nan 8.300 nan 0.000 0.474 528 E N 2.118 122.450 120.200 0.220 0.000 2.176 528 E HA 0.638 4.989 4.350 0.000 0.000 0.267 528 E C -1.111 175.501 176.600 0.020 0.000 0.893 528 E CA -0.601 55.847 56.400 0.081 0.000 0.761 528 E CB 2.318 32.036 29.700 0.030 0.000 1.133 528 E HN 0.557 nan 8.360 nan 0.000 0.409 529 I N -0.655 119.935 120.570 0.032 0.000 3.206 529 I HA 0.439 4.609 4.170 0.000 0.000 0.313 529 I C -0.004 176.140 176.117 0.046 0.000 1.103 529 I CA -1.180 60.131 61.300 0.017 0.000 0.985 529 I CB 1.202 39.271 38.000 0.116 0.000 1.240 529 I HN 0.560 nan 8.210 nan 0.000 0.464 530 L N 0.507 121.778 121.223 0.080 0.000 3.739 530 L HA -0.238 4.102 4.340 0.000 0.000 0.442 530 L C 0.185 177.094 176.870 0.065 0.000 1.241 530 L CA 0.534 55.430 54.840 0.093 0.000 0.819 530 L CB -1.683 40.437 42.059 0.102 0.000 1.679 530 L HN 0.868 nan 8.230 nan 0.000 0.889 531 A N -0.107 122.729 122.820 0.026 0.000 2.320 531 A HA 0.918 5.238 4.320 0.000 0.000 0.334 531 A C 0.309 177.906 177.584 0.022 0.000 1.147 531 A CA 0.423 52.474 52.037 0.024 0.000 0.820 531 A CB 1.670 20.670 19.000 0.000 0.000 1.218 531 A HN 0.465 nan 8.150 nan 0.000 0.482 532 S N -0.285 115.430 115.700 0.025 0.000 2.790 532 S HA 0.399 4.869 4.470 0.000 0.000 0.292 532 S C 0.703 175.295 174.600 -0.013 0.000 1.197 532 S CA 0.152 58.352 58.200 0.001 0.000 0.851 532 S CB 0.671 63.869 63.200 -0.004 0.000 1.217 532 S HN 0.746 nan 8.310 nan 0.000 0.526 533 E N -0.028 120.144 120.200 -0.047 0.000 2.058 533 E HA -0.072 4.278 4.350 0.000 0.000 0.194 533 E C 1.248 177.830 176.600 -0.030 0.000 0.997 533 E CA 1.464 57.839 56.400 -0.042 0.000 0.801 533 E CB -0.320 29.341 29.700 -0.065 0.000 0.746 533 E HN 0.615 nan 8.360 nan 0.000 0.450 534 L N 0.214 121.406 121.223 -0.051 0.000 2.592 534 L HA 0.215 4.555 4.340 0.000 0.000 0.227 534 L C 0.168 177.088 176.870 0.083 0.000 1.127 534 L CA 0.171 55.017 54.840 0.011 0.000 0.884 534 L CB 0.044 42.107 42.059 0.007 0.000 1.065 534 L HN 0.021 nan 8.230 nan 0.000 0.457 535 E N 0.352 120.602 120.200 0.083 0.000 2.413 535 E HA 0.663 5.013 4.350 0.000 0.000 0.277 535 E C -1.165 175.475 176.600 0.067 0.000 0.958 535 E CA -0.978 55.486 56.400 0.106 0.000 0.779 535 E CB 2.326 32.141 29.700 0.191 0.000 1.278 535 E HN 0.016 nan 8.360 nan 0.000 0.456 536 R N -0.944 119.588 120.500 0.052 0.000 2.824 536 R HA 0.453 4.793 4.340 0.000 0.000 0.267 536 R C -1.822 174.489 176.300 0.019 0.000 1.035 536 R CA -0.687 55.431 56.100 0.030 0.000 0.887 536 R CB 0.526 30.831 30.300 0.008 0.000 1.262 536 R HN 0.349 nan 8.270 nan 0.000 0.487 537 T N 1.100 115.666 114.554 0.020 0.000 2.840 537 T HA 0.820 5.170 4.350 0.000 0.000 0.287 537 T C -0.823 173.891 174.700 0.024 0.000 0.991 537 T CA -0.263 61.845 62.100 0.014 0.000 0.964 537 T CB 1.603 70.482 68.868 0.019 0.000 0.954 537 T HN 0.790 nan 8.240 nan 0.000 0.438 538 A N 3.937 126.768 122.820 0.019 0.000 2.292 538 A HA 0.833 5.153 4.320 0.000 0.000 0.319 538 A C -0.404 177.244 177.584 0.106 0.000 1.206 538 A CA -0.647 51.427 52.037 0.062 0.000 0.835 538 A CB 0.218 19.224 19.000 0.010 0.000 1.164 538 A HN 0.878 nan 8.150 nan 0.000 0.505 539 I N 3.550 124.239 120.570 0.198 0.000 2.439 539 I HA 0.464 4.634 4.170 0.000 0.000 0.283 539 I C -1.118 175.192 176.117 0.321 0.000 1.023 539 I CA -0.488 60.901 61.300 0.148 0.000 1.100 539 I CB 1.223 39.340 38.000 0.195 0.000 1.238 539 I HN 0.803 nan 8.210 nan 0.000 0.445 540 Y N 4.537 124.954 120.300 0.195 0.000 2.597 540 Y HA 0.571 5.121 4.550 -0.000 0.000 0.340 540 Y C -1.644 174.363 175.900 0.177 0.000 1.097 540 Y CA -1.546 56.712 58.100 0.262 0.000 1.037 540 Y CB 0.892 39.575 38.460 0.371 0.000 1.305 540 Y HN 0.397 nan 8.280 nan 0.000 0.463 541 Y N 2.185 122.643 120.300 0.262 0.000 2.334 541 Y HA 0.518 5.068 4.550 0.000 0.000 0.328 541 Y C -0.490 175.422 175.900 0.020 0.000 1.130 541 Y CA -0.548 57.550 58.100 -0.003 0.000 1.163 541 Y CB 1.641 40.046 38.460 -0.091 0.000 1.207 541 Y HN 0.811 nan 8.280 nan 0.000 0.471 542 Q N 4.903 124.216 119.800 -0.811 0.000 2.290 542 Q HA 0.266 4.606 4.340 0.000 0.000 0.269 542 Q C -0.869 174.672 176.000 -0.765 0.000 1.016 542 Q CA -0.494 55.021 55.803 -0.479 0.000 0.754 542 Q CB 0.798 29.429 28.738 -0.178 0.000 1.247 542 Q HN 0.874 nan 8.270 nan 0.000 0.451 543 F N 0.975 120.698 119.950 -0.379 0.000 2.367 543 F HA -0.144 4.383 4.527 0.000 0.000 0.298 543 F C 2.432 178.124 175.800 -0.180 0.000 1.094 543 F CA 1.413 59.262 58.000 -0.251 0.000 1.409 543 F CB 0.137 39.048 39.000 -0.149 0.000 1.064 543 F HN 0.692 nan 8.300 nan 0.000 0.528 544 S N 1.291 116.994 115.700 0.005 0.000 2.368 544 S HA -0.281 4.189 4.470 0.000 0.000 0.226 544 S C 1.424 175.994 174.600 -0.049 0.000 1.044 544 S CA 1.823 60.015 58.200 -0.013 0.000 1.062 544 S CB -0.894 62.288 63.200 -0.030 0.000 0.931 544 S HN 0.555 nan 8.310 nan 0.000 0.440 545 N N 0.655 119.277 118.700 -0.130 0.000 2.291 545 N HA 0.131 4.871 4.740 0.000 0.000 0.244 545 N C -0.909 174.453 175.510 -0.247 0.000 1.216 545 N CA 0.084 53.038 53.050 -0.160 0.000 0.879 545 N CB -0.701 37.687 38.487 -0.166 0.000 1.167 545 N HN 0.618 nan 8.380 nan 0.000 0.515 546 E N 0.094 120.120 120.200 -0.291 0.000 2.246 546 E HA -0.174 4.176 4.350 0.000 0.000 0.173 546 E C -1.077 175.218 176.600 -0.510 0.000 1.532 546 E CA 0.580 56.746 56.400 -0.390 0.000 0.672 546 E CB -1.459 28.215 29.700 -0.042 0.000 1.078 546 E HN 0.421 nan 8.360 nan 0.000 0.338 547 S N 0.535 115.763 115.700 -0.787 0.000 2.546 547 S HA 0.534 5.004 4.470 0.000 0.000 0.274 547 S C -0.341 173.898 174.600 -0.602 0.000 1.121 547 S CA -0.833 57.009 58.200 -0.598 0.000 0.887 547 S CB 1.604 64.530 63.200 -0.456 0.000 1.094 547 S HN 0.265 nan 8.310 nan 0.000 0.474 548 L N 2.562 123.543 121.223 -0.403 0.000 2.276 548 L HA 0.593 4.933 4.340 0.000 0.000 0.286 548 L C -0.918 175.790 176.870 -0.270 0.000 1.061 548 L CA -0.481 54.203 54.840 -0.260 0.000 0.807 548 L CB 1.119 42.996 42.059 -0.304 0.000 1.177 548 L HN 0.355 nan 8.230 nan 0.000 0.429 549 V N 4.277 123.947 119.914 -0.407 0.000 2.680 549 V HA 0.440 4.560 4.120 0.000 0.000 0.309 549 V C -0.278 175.549 176.094 -0.445 0.000 1.052 549 V CA -0.699 61.301 62.300 -0.500 0.000 0.908 549 V CB 2.358 33.668 31.823 -0.855 0.000 1.001 549 V HN 0.364 nan 8.190 nan 0.000 0.431 550 V N 2.907 122.673 119.914 -0.247 0.000 2.325 550 V HA 0.327 4.447 4.120 0.000 0.000 0.280 550 V C -0.542 175.485 176.094 -0.112 0.000 1.016 550 V CA -0.469 61.743 62.300 -0.146 0.000 0.818 550 V CB 1.442 33.221 31.823 -0.073 0.000 1.019 550 V HN 0.930 nan 8.190 nan 0.000 0.434 551 D N 4.493 124.845 120.400 -0.080 0.000 2.316 551 D HA 0.262 4.902 4.640 0.000 0.000 0.245 551 D C 0.706 176.989 176.300 -0.028 0.000 1.171 551 D CA -0.370 53.623 54.000 -0.012 0.000 0.856 551 D CB 1.051 41.906 40.800 0.091 0.000 1.090 551 D HN 0.452 nan 8.370 nan 0.000 0.476 552 R N 1.656 122.123 120.500 -0.055 0.000 2.546 552 R HA 0.083 4.423 4.340 0.000 0.000 0.320 552 R C 1.827 178.092 176.300 -0.059 0.000 1.021 552 R CA -0.028 56.028 56.100 -0.073 0.000 1.088 552 R CB 0.324 30.541 30.300 -0.139 0.000 1.278 552 R HN 0.353 nan 8.270 nan 0.000 0.557 553 S N 0.413 116.093 115.700 -0.033 0.000 2.442 553 S HA -0.195 4.275 4.470 0.000 0.000 0.236 553 S C 1.472 176.062 174.600 -0.017 0.000 1.007 553 S CA 0.960 59.146 58.200 -0.022 0.000 0.965 553 S CB 0.022 63.218 63.200 -0.007 0.000 0.773 553 S HN 0.396 nan 8.310 nan 0.000 0.504 554 Q N -0.244 119.549 119.800 -0.012 0.000 2.139 554 Q HA 0.300 4.640 4.340 0.000 0.000 0.219 554 Q C 1.906 177.919 176.000 0.020 0.000 0.805 554 Q CA 0.551 56.357 55.803 0.004 0.000 1.024 554 Q CB 0.207 28.947 28.738 0.003 0.000 1.163 554 Q HN 0.738 nan 8.270 nan 0.000 0.485 555 T N 0.392 114.949 114.554 0.005 0.000 2.652 555 T HA -0.081 4.269 4.350 0.000 0.000 0.267 555 T C 1.172 175.910 174.700 0.062 0.000 1.039 555 T CA 1.808 63.920 62.100 0.019 0.000 1.153 555 T CB -0.211 68.644 68.868 -0.022 0.000 0.863 555 T HN 0.302 nan 8.240 nan 0.000 0.428 556 S N -0.328 115.400 115.700 0.047 0.000 2.552 556 S HA 0.747 5.217 4.470 0.000 0.000 0.314 556 S C 1.217 175.867 174.600 0.082 0.000 1.099 556 S CA 0.159 58.419 58.200 0.099 0.000 1.070 556 S CB 1.124 64.363 63.200 0.065 0.000 0.998 556 S HN 0.789 nan 8.310 nan 0.000 0.474 557 A N 1.953 124.855 122.820 0.138 0.000 2.125 557 A HA 0.294 4.614 4.320 0.000 0.000 0.219 557 A C 2.089 179.633 177.584 -0.067 0.000 1.156 557 A CA 2.059 54.143 52.037 0.078 0.000 0.671 557 A CB -0.478 18.644 19.000 0.203 0.000 0.794 557 A HN 1.494 nan 8.150 nan 0.000 0.459 558 A N -0.825 121.946 122.820 -0.083 0.000 2.147 558 A HA 0.477 4.797 4.320 0.000 0.000 0.211 558 A C 2.265 179.785 177.584 -0.107 0.000 1.160 558 A CA 1.125 53.054 52.037 -0.181 0.000 0.781 558 A CB -0.563 18.333 19.000 -0.172 0.000 0.842 558 A HN 0.858 nan 8.150 nan 0.000 0.475 559 A N 1.078 123.862 122.820 -0.060 0.000 1.933 559 A HA -0.021 4.299 4.320 0.000 0.000 0.218 559 A C 0.165 177.710 177.584 -0.066 0.000 1.175 559 A CA 1.760 53.757 52.037 -0.067 0.000 0.628 559 A CB -1.543 17.421 19.000 -0.061 0.000 0.814 559 A HN 0.428 nan 8.150 nan 0.000 0.444 560 P HA -0.151 nan 4.420 nan 0.000 0.216 560 P C 1.433 178.696 177.300 -0.063 0.000 1.153 560 P CA 2.212 65.279 63.100 -0.054 0.000 0.858 560 P CB -0.186 31.485 31.700 -0.049 0.000 0.789 561 T N -6.329 108.175 114.554 -0.084 0.000 3.069 561 T HA 0.196 4.546 4.350 0.000 0.000 0.252 561 T C 0.353 174.997 174.700 -0.092 0.000 1.053 561 T CA -0.257 61.791 62.100 -0.087 0.000 0.964 561 T CB -0.841 67.965 68.868 -0.104 0.000 1.005 561 T HN -0.018 nan 8.240 nan 0.000 0.532 562 N N 2.567 121.211 118.700 -0.093 0.000 2.762 562 N HA 0.301 5.041 4.740 0.000 0.000 0.252 562 N C -2.256 173.207 175.510 -0.077 0.000 1.269 562 N CA -1.582 51.409 53.050 -0.099 0.000 0.799 562 N CB 1.959 40.369 38.487 -0.128 0.000 1.173 562 N HN 0.071 nan 8.380 nan 0.000 0.516 563 P HA -0.150 nan 4.420 nan 0.000 0.223 563 P C 1.361 178.651 177.300 -0.017 0.000 1.144 563 P CA 0.913 63.994 63.100 -0.032 0.000 0.783 563 P CB 0.289 31.977 31.700 -0.020 0.000 0.771 564 G N 0.177 108.966 108.800 -0.019 0.000 2.432 564 G HA2 -0.145 3.815 3.960 0.000 0.000 0.219 564 G HA3 -0.145 3.815 3.960 0.000 0.000 0.219 564 G C 0.627 175.587 174.900 0.100 0.000 1.135 564 G CA 0.241 45.371 45.100 0.050 0.000 0.767 564 G HN 0.213 nan 8.290 nan 0.000 0.550 565 L N 3.218 124.435 121.223 -0.010 0.000 2.401 565 L HA 0.214 4.554 4.340 0.000 0.000 0.283 565 L C -0.074 176.728 176.870 -0.114 0.000 1.151 565 L CA -1.043 53.757 54.840 -0.067 0.000 0.942 565 L CB 0.426 42.402 42.059 -0.138 0.000 1.283 565 L HN 0.229 nan 8.230 nan 0.000 0.442 566 D N 0.922 121.232 120.400 -0.150 0.000 2.488 566 D HA -0.029 4.611 4.640 0.000 0.000 0.238 566 D C 0.644 176.740 176.300 -0.341 0.000 1.138 566 D CA 0.133 54.002 54.000 -0.219 0.000 0.873 566 D CB 0.979 41.600 40.800 -0.297 0.000 1.183 566 D HN 0.472 nan 8.370 nan 0.000 0.458 567 S N 0.227 115.760 115.700 -0.278 0.000 2.819 567 S HA 0.161 4.631 4.470 0.000 0.000 0.249 567 S C 0.380 174.854 174.600 -0.211 0.000 1.030 567 S CA -0.967 57.089 58.200 -0.241 0.000 1.052 567 S CB -0.727 62.407 63.200 -0.111 0.000 1.017 567 S HN 0.437 nan 8.310 nan 0.000 0.576 568 F N 2.141 122.024 119.950 -0.111 0.000 2.490 568 F HA 0.636 5.163 4.527 -0.000 0.000 0.336 568 F C 0.371 176.119 175.800 -0.086 0.000 1.178 568 F CA -0.804 57.132 58.000 -0.107 0.000 1.301 568 F CB -0.787 38.117 39.000 -0.160 0.000 1.175 568 F HN -0.152 nan 8.300 nan 0.000 0.593 569 T N 2.619 117.289 114.554 0.193 0.000 2.916 569 T HA 0.131 4.481 4.350 0.000 0.000 0.303 569 T C -0.170 174.642 174.700 0.185 0.000 1.025 569 T CA -0.346 61.814 62.100 0.101 0.000 1.142 569 T CB 0.187 69.093 68.868 0.064 0.000 0.947 569 T HN 0.516 nan 8.240 nan 0.000 0.544 570 E N 1.735 121.980 120.200 0.076 0.000 2.195 570 E HA 0.596 4.946 4.350 0.000 0.000 0.271 570 E C -0.412 176.198 176.600 0.018 0.000 0.923 570 E CA -0.644 55.824 56.400 0.114 0.000 0.790 570 E CB 2.047 31.790 29.700 0.072 0.000 1.155 570 E HN 0.732 nan 8.360 nan 0.000 0.402 571 S N 0.116 115.830 115.700 0.023 0.000 2.565 571 S HA 0.808 5.278 4.470 0.000 0.000 0.269 571 S C -0.615 173.894 174.600 -0.152 0.000 1.153 571 S CA -0.755 57.391 58.200 -0.089 0.000 0.835 571 S CB 1.969 65.078 63.200 -0.152 0.000 1.122 571 S HN 0.556 nan 8.310 nan 0.000 0.462 572 G N 0.986 109.573 108.800 -0.354 0.000 2.706 572 G HA2 0.593 4.553 3.960 0.000 0.000 0.297 572 G HA3 0.593 4.553 3.960 0.000 0.000 0.297 572 G C -1.559 172.705 174.900 -1.061 0.000 1.403 572 G CA -0.891 43.546 45.100 -1.105 0.000 0.954 572 G HN 0.579 nan 8.290 nan 0.000 0.500 573 K N 0.578 119.941 120.400 -1.729 0.000 2.322 573 K HA 0.423 4.743 4.320 0.000 0.000 0.283 573 K C -1.049 175.496 176.600 -0.091 0.000 1.042 573 K CA -0.508 55.370 56.287 -0.682 0.000 0.958 573 K CB 1.939 34.126 32.500 -0.522 0.000 0.984 573 K HN 0.327 nan 8.250 nan 0.000 0.473 574 L N 2.757 123.977 121.223 -0.005 0.000 2.541 574 L HA 0.303 4.643 4.340 0.000 0.000 0.266 574 L C -0.806 176.157 176.870 0.154 0.000 0.966 574 L CA -0.350 54.555 54.840 0.109 0.000 0.871 574 L CB 1.547 43.458 42.059 -0.247 0.000 1.232 574 L HN 0.578 nan 8.230 nan 0.000 0.408 575 R N 5.100 125.678 120.500 0.130 0.000 2.265 575 R HA 0.666 5.006 4.340 0.000 0.000 0.319 575 R C -1.435 174.545 176.300 -0.534 0.000 1.006 575 R CA -0.563 55.445 56.100 -0.152 0.000 0.880 575 R CB 0.810 30.947 30.300 -0.271 0.000 1.077 575 R HN 0.757 nan 8.270 nan 0.000 0.454 576 L N 6.216 127.235 121.223 -0.340 0.000 2.255 576 L HA 0.361 4.701 4.340 0.000 0.000 0.289 576 L C -0.481 176.239 176.870 -0.251 0.000 1.046 576 L CA -0.613 54.068 54.840 -0.265 0.000 0.816 576 L CB 0.512 42.508 42.059 -0.105 0.000 1.197 576 L HN 0.551 nan 8.230 nan 0.000 0.427 577 F N 0.949 120.882 119.950 -0.029 0.000 2.399 577 F HA 0.143 4.670 4.527 0.000 0.000 0.313 577 F C 1.012 176.815 175.800 0.006 0.000 1.202 577 F CA -0.361 57.617 58.000 -0.038 0.000 1.192 577 F CB 0.364 39.285 39.000 -0.132 0.000 1.256 577 F HN 0.403 nan 8.300 nan 0.000 0.558 578 D N 1.343 121.881 120.400 0.230 0.000 2.295 578 D HA 0.384 5.024 4.640 0.000 0.000 0.248 578 D C -0.390 175.972 176.300 0.103 0.000 1.154 578 D CA 0.168 54.246 54.000 0.131 0.000 0.857 578 D CB 1.320 42.182 40.800 0.103 0.000 1.117 578 D HN 0.321 nan 8.370 nan 0.000 0.468 579 V N 0.105 120.064 119.914 0.075 0.000 3.074 579 V HA 0.603 4.723 4.120 0.000 0.000 0.314 579 V C -0.355 175.755 176.094 0.028 0.000 1.117 579 V CA -1.138 61.190 62.300 0.046 0.000 1.014 579 V CB 2.448 34.298 31.823 0.046 0.000 1.057 579 V HN 0.444 nan 8.190 nan 0.000 0.438 580 I N 1.192 121.772 120.570 0.016 0.000 2.354 580 I HA 0.514 4.684 4.170 0.000 0.000 0.286 580 I C 0.650 176.771 176.117 0.007 0.000 1.007 580 I CA -0.151 61.155 61.300 0.010 0.000 1.167 580 I CB 1.448 39.452 38.000 0.007 0.000 1.320 580 I HN 1.049 nan 8.210 nan 0.000 0.458 581 E N 5.218 125.422 120.200 0.006 0.000 2.340 581 E HA 0.162 4.512 4.350 0.000 0.000 0.198 581 E C -0.266 176.334 176.600 0.000 0.000 0.961 581 E CA 0.191 56.593 56.400 0.003 0.000 0.905 581 E CB 0.543 30.244 29.700 0.001 0.000 0.884 581 E HN 0.655 nan 8.360 nan 0.000 0.491 582 N N -0.489 118.211 118.700 0.000 0.000 2.666 582 N HA 0.118 4.858 4.740 0.000 0.000 0.253 582 N C -0.266 175.244 175.510 -0.000 0.000 1.621 582 N CA 0.530 53.579 53.050 -0.001 0.000 0.785 582 N CB 1.221 39.707 38.487 -0.003 0.000 1.332 582 N HN 0.244 nan 8.380 nan 0.000 0.514 583 G N 1.113 109.913 108.800 0.001 0.000 2.205 583 G HA2 -0.335 3.625 3.960 0.000 0.000 0.269 583 G HA3 -0.335 3.625 3.960 0.000 0.000 0.269 583 G C 0.201 175.102 174.900 0.002 0.000 0.977 583 G CA 0.958 46.059 45.100 0.001 0.000 0.652 583 G HN 0.530 nan 8.290 nan 0.000 0.539 584 Q N 0.035 119.837 119.800 0.002 0.000 2.353 584 Q HA 0.549 4.889 4.340 0.000 0.000 0.268 584 Q C -0.272 175.732 176.000 0.006 0.000 1.045 584 Q CA -0.760 55.045 55.803 0.003 0.000 0.811 584 Q CB 1.207 29.945 28.738 0.000 0.000 1.305 584 Q HN 0.425 nan 8.270 nan 0.000 0.447 585 E N 2.837 123.043 120.200 0.009 0.000 2.331 585 E HA 0.139 4.489 4.350 0.000 0.000 0.272 585 E C -1.135 175.475 176.600 0.017 0.000 1.036 585 E CA 0.005 56.415 56.400 0.016 0.000 0.864 585 E CB 0.808 30.519 29.700 0.018 0.000 1.035 585 E HN 0.649 nan 8.360 nan 0.000 0.408 586 Q N 0.858 120.673 119.800 0.025 0.000 2.630 586 Q HA 0.409 4.749 4.340 0.000 0.000 0.295 586 Q C -1.562 174.468 176.000 0.049 0.000 0.944 586 Q CA -1.023 54.796 55.803 0.027 0.000 0.766 586 Q CB 1.218 29.965 28.738 0.015 0.000 1.471 586 Q HN 0.304 nan 8.270 nan 0.000 0.416 587 V N 1.870 121.822 119.914 0.064 0.000 2.488 587 V HA 0.083 4.203 4.120 0.000 0.000 0.277 587 V C 0.343 176.489 176.094 0.086 0.000 1.046 587 V CA -0.084 62.281 62.300 0.108 0.000 0.986 587 V CB 0.804 32.738 31.823 0.185 0.000 0.989 587 V HN 0.838 nan 8.190 nan 0.000 0.475 588 E N 3.578 123.827 120.200 0.082 0.000 2.568 588 E HA -0.066 4.284 4.350 0.000 0.000 0.262 588 E C -0.100 176.505 176.600 0.008 0.000 0.961 588 E CA -0.124 56.305 56.400 0.049 0.000 0.945 588 E CB 0.470 30.210 29.700 0.067 0.000 0.924 588 E HN 0.747 nan 8.360 nan 0.000 0.467 589 T N 4.879 119.419 114.554 -0.024 0.000 2.916 589 T HA 0.101 4.451 4.350 0.000 0.000 0.303 589 T C -0.027 174.619 174.700 -0.090 0.000 1.025 589 T CA -0.439 61.613 62.100 -0.079 0.000 1.142 589 T CB 0.379 69.208 68.868 -0.065 0.000 0.947 589 T HN 0.391 nan 8.240 nan 0.000 0.544 590 L N 3.823 124.952 121.223 -0.156 0.000 2.295 590 L HA 0.367 4.707 4.340 0.000 0.000 0.288 590 L C -0.247 176.586 176.870 -0.062 0.000 1.079 590 L CA -0.336 54.417 54.840 -0.145 0.000 0.830 590 L CB 0.143 42.087 42.059 -0.192 0.000 1.200 590 L HN 0.530 nan 8.230 nan 0.000 0.438 591 D N 4.790 125.183 120.400 -0.012 0.000 2.428 591 D HA 0.315 4.955 4.640 0.000 0.000 0.221 591 D C -0.761 175.592 176.300 0.088 0.000 1.123 591 D CA -0.110 53.914 54.000 0.040 0.000 0.869 591 D CB 0.481 41.306 40.800 0.042 0.000 1.032 591 D HN 0.558 nan 8.370 nan 0.000 0.506 592 L N 3.225 124.524 121.223 0.127 0.000 2.307 592 L HA 0.485 4.825 4.340 0.000 0.000 0.282 592 L C -0.097 176.874 176.870 0.167 0.000 1.051 592 L CA -0.391 54.553 54.840 0.173 0.000 0.804 592 L CB 1.809 44.010 42.059 0.237 0.000 1.197 592 L HN 0.358 nan 8.230 nan 0.000 0.431 593 T N 2.599 117.275 114.554 0.204 0.000 2.985 593 T HA 0.360 4.710 4.350 0.000 0.000 0.315 593 T C -0.550 174.301 174.700 0.251 0.000 1.001 593 T CA -0.355 61.859 62.100 0.190 0.000 1.016 593 T CB 1.398 70.358 68.868 0.153 0.000 0.993 593 T HN 0.138 nan 8.240 nan 0.000 0.454 594 V N 4.199 124.220 119.914 0.178 0.000 2.334 594 V HA 0.419 4.539 4.120 0.000 0.000 0.281 594 V C 0.058 176.210 176.094 0.096 0.000 1.016 594 V CA -0.797 61.594 62.300 0.151 0.000 0.832 594 V CB 1.500 33.390 31.823 0.112 0.000 0.999 594 V HN 0.677 nan 8.190 nan 0.000 0.439 595 V N 5.959 125.934 119.914 0.103 0.000 2.383 595 V HA 0.385 4.505 4.120 0.000 0.000 0.275 595 V C -0.007 176.013 176.094 -0.122 0.000 1.036 595 V CA -0.467 61.847 62.300 0.023 0.000 0.889 595 V CB 1.665 33.575 31.823 0.144 0.000 0.985 595 V HN 0.606 nan 8.190 nan 0.000 0.459 596 V N 3.974 123.663 119.914 -0.374 0.000 2.304 596 V HA 0.356 4.476 4.120 0.000 0.000 0.278 596 V C -0.083 175.791 176.094 -0.367 0.000 1.018 596 V CA -0.309 61.686 62.300 -0.507 0.000 0.814 596 V CB 1.449 32.625 31.823 -1.079 0.000 1.021 596 V HN 0.864 nan 8.190 nan 0.000 0.440 597 D N 5.189 125.503 120.400 -0.144 0.000 2.930 597 D HA 0.228 4.868 4.640 0.000 0.000 0.304 597 D C 0.825 177.105 176.300 -0.032 0.000 1.298 597 D CA 0.135 54.169 54.000 0.057 0.000 0.949 597 D CB -0.091 40.894 40.800 0.308 0.000 1.013 597 D HN 0.566 nan 8.370 nan 0.000 0.510 598 N N 0.739 119.237 118.700 -0.336 0.000 1.217 598 N HA -0.335 4.405 4.740 0.000 0.000 0.134 598 N C 0.902 176.362 175.510 -0.082 0.000 0.831 598 N CA 2.058 54.914 53.050 -0.323 0.000 0.924 598 N CB -1.207 37.261 38.487 -0.032 0.000 1.146 598 N HN 0.257 nan 8.380 nan 0.000 0.558 599 A N 0.493 123.400 122.820 0.145 0.000 2.172 599 A HA 0.200 4.520 4.320 0.000 0.000 0.216 599 A C 0.839 178.451 177.584 0.048 0.000 1.154 599 A CA 1.325 53.492 52.037 0.216 0.000 0.701 599 A CB -0.171 19.100 19.000 0.452 0.000 0.789 599 A HN 0.342 nan 8.150 nan 0.000 0.465 600 V N 1.198 121.030 119.914 -0.138 0.000 2.408 600 V HA 0.285 4.405 4.120 0.000 0.000 0.267 600 V C -0.373 175.534 176.094 -0.312 0.000 1.047 600 V CA -0.214 61.796 62.300 -0.483 0.000 0.937 600 V CB 1.106 32.515 31.823 -0.690 0.000 0.999 600 V HN 0.106 nan 8.190 nan 0.000 0.472 601 V N 5.357 125.085 119.914 -0.310 0.000 2.409 601 V HA 0.439 4.559 4.120 0.000 0.000 0.291 601 V C -0.116 175.870 176.094 -0.180 0.000 1.020 601 V CA -0.617 61.565 62.300 -0.197 0.000 0.848 601 V CB 1.699 33.434 31.823 -0.146 0.000 0.990 601 V HN 0.906 nan 8.190 nan 0.000 0.430 602 E N 3.566 123.699 120.200 -0.110 0.000 2.185 602 E HA 0.484 4.834 4.350 0.000 0.000 0.261 602 E C -1.258 175.273 176.600 -0.116 0.000 0.879 602 E CA -0.552 55.756 56.400 -0.153 0.000 0.756 602 E CB 2.467 32.108 29.700 -0.098 0.000 1.152 602 E HN 0.451 nan 8.360 nan 0.000 0.416 603 V N 4.585 124.423 119.914 -0.126 0.000 2.348 603 V HA 0.243 4.363 4.120 0.000 0.000 0.270 603 V C -0.805 175.326 176.094 0.062 0.000 1.037 603 V CA -0.480 61.851 62.300 0.052 0.000 0.872 603 V CB -0.284 31.632 31.823 0.155 0.000 1.002 603 V HN 0.569 nan 8.190 nan 0.000 0.464 604 Y N 2.661 123.100 120.300 0.232 0.000 2.420 604 Y HA 0.798 5.348 4.550 0.000 0.000 0.334 604 Y C 0.360 176.426 175.900 0.277 0.000 1.094 604 Y CA -0.586 57.676 58.100 0.270 0.000 1.126 604 Y CB 2.143 40.700 38.460 0.162 0.000 1.217 604 Y HN 0.687 nan 8.280 nan 0.000 0.462 605 A N 1.726 124.843 122.820 0.495 0.000 2.517 605 A HA 0.403 4.723 4.320 0.000 0.000 0.297 605 A C -0.290 177.440 177.584 0.243 0.000 1.050 605 A CA -0.929 51.270 52.037 0.271 0.000 0.694 605 A CB 0.595 19.631 19.000 0.059 0.000 1.277 605 A HN 1.003 nan 8.150 nan 0.000 0.400 606 N N 1.009 119.798 118.700 0.148 0.000 2.666 606 N HA -0.290 4.450 4.740 0.000 0.000 0.248 606 N C 1.026 176.625 175.510 0.148 0.000 1.118 606 N CA 1.187 54.310 53.050 0.122 0.000 0.722 606 N CB -0.710 37.837 38.487 0.100 0.000 1.050 606 N HN 2.187 nan 8.380 nan 0.000 0.550 607 G N 0.671 109.570 108.800 0.165 0.000 2.212 607 G HA2 -0.371 3.589 3.960 0.000 0.000 0.267 607 G HA3 -0.371 3.589 3.960 0.000 0.000 0.267 607 G C 0.586 175.588 174.900 0.170 0.000 1.002 607 G CA 1.174 46.358 45.100 0.139 0.000 0.729 607 G HN 0.806 nan 8.290 nan 0.000 0.517 608 R N -1.966 118.691 120.500 0.262 0.000 2.527 608 R HA 0.575 4.915 4.340 0.000 0.000 0.402 608 R C -0.067 176.516 176.300 0.471 0.000 0.933 608 R CA -0.399 55.880 56.100 0.299 0.000 1.171 608 R CB 0.196 30.673 30.300 0.295 0.000 1.612 608 R HN 0.604 nan 8.270 nan 0.000 0.546 609 F N 1.148 121.276 119.950 0.295 0.000 2.608 609 F HA 0.769 5.296 4.527 0.000 0.000 0.309 609 F C -1.871 174.094 175.800 0.276 0.000 1.103 609 F CA -0.673 57.533 58.000 0.343 0.000 0.954 609 F CB 2.280 41.450 39.000 0.283 0.000 1.267 609 F HN 0.098 nan 8.300 nan 0.000 0.444 610 A N 5.396 127.943 122.820 -0.455 0.000 2.459 610 A HA 0.762 5.082 4.320 0.000 0.000 0.296 610 A C -2.614 174.629 177.584 -0.568 0.000 1.039 610 A CA -0.560 51.227 52.037 -0.416 0.000 0.698 610 A CB 1.689 20.551 19.000 -0.230 0.000 1.261 610 A HN 0.955 nan 8.150 nan 0.000 0.405 611 L N 1.916 122.930 121.223 -0.348 0.000 2.446 611 L HA 0.738 5.078 4.340 0.000 0.000 0.268 611 L C -0.817 175.983 176.870 -0.117 0.000 0.975 611 L CA 0.153 54.907 54.840 -0.144 0.000 0.848 611 L CB 1.830 43.912 42.059 0.039 0.000 1.225 611 L HN 0.561 nan 8.230 nan 0.000 0.410 612 S N 2.547 118.180 115.700 -0.113 0.000 2.532 612 S HA 0.930 5.400 4.470 0.000 0.000 0.301 612 S C -0.474 174.026 174.600 -0.166 0.000 1.083 612 S CA -0.527 57.572 58.200 -0.168 0.000 1.025 612 S CB 2.017 65.096 63.200 -0.201 0.000 1.056 612 S HN 0.790 nan 8.310 nan 0.000 0.494 613 T N 0.280 114.680 114.554 -0.257 0.000 2.693 613 T HA 0.532 4.882 4.350 0.000 0.000 0.304 613 T C -2.187 172.275 174.700 -0.396 0.000 1.471 613 T CA -0.632 61.314 62.100 -0.257 0.000 0.993 613 T CB 0.427 69.218 68.868 -0.127 0.000 1.554 613 T HN 0.583 nan 8.240 nan 0.000 0.496 614 W N 1.629 122.796 121.300 -0.221 0.000 2.349 614 W HA 0.698 5.358 4.660 0.000 0.000 0.309 614 W C -0.026 176.342 176.519 -0.253 0.000 1.083 614 W CA -0.718 56.472 57.345 -0.258 0.000 1.224 614 W CB 1.436 30.694 29.460 -0.337 0.000 1.256 614 W HN 0.758 nan 8.180 nan 0.000 0.461 615 A N 4.409 127.248 122.820 0.031 0.000 2.644 615 A HA 0.473 4.793 4.320 0.000 0.000 0.343 615 A C -0.064 177.519 177.584 -0.002 0.000 1.324 615 A CA -0.833 51.193 52.037 -0.019 0.000 0.846 615 A CB 0.137 19.122 19.000 -0.025 0.000 1.128 615 A HN 0.742 nan 8.150 nan 0.000 0.484 616 R N 2.109 122.544 120.500 -0.109 0.000 4.138 616 R HA 0.151 4.491 4.340 0.000 0.000 0.206 616 R C 0.404 176.776 176.300 0.120 0.000 1.667 616 R CA 0.064 56.052 56.100 -0.186 0.000 1.481 616 R CB 0.060 29.770 30.300 -0.983 0.000 1.388 616 R HN 0.787 nan 8.270 nan 0.000 0.776 617 S N -0.276 115.552 115.700 0.213 0.000 2.572 617 S HA -0.014 4.456 4.470 0.000 0.000 0.279 617 S C 0.668 175.508 174.600 0.401 0.000 1.341 617 S CA -0.797 57.565 58.200 0.269 0.000 1.043 617 S CB 1.113 64.433 63.200 0.200 0.000 0.887 617 S HN 0.656 nan 8.310 nan 0.000 0.516 618 W N 1.880 123.278 121.300 0.163 0.000 2.644 618 W HA 0.179 4.839 4.660 0.000 0.000 0.279 618 W C -0.619 175.857 176.519 -0.071 0.000 1.164 618 W CA -0.199 57.162 57.345 0.026 0.000 1.457 618 W CB -0.145 29.224 29.460 -0.152 0.000 1.087 618 W HN 0.705 nan 8.180 nan 0.000 0.573 619 Y N 3.213 123.648 120.300 0.225 0.000 2.425 619 Y HA -0.023 4.527 4.550 0.000 0.000 0.331 619 Y C 1.619 177.525 175.900 0.010 0.000 1.157 619 Y CA 0.496 58.659 58.100 0.104 0.000 1.372 619 Y CB 0.380 38.949 38.460 0.181 0.000 1.253 619 Y HN -0.105 nan 8.280 nan 0.000 0.536 620 D N 0.857 121.333 120.400 0.127 0.000 2.182 620 D HA -0.183 4.457 4.640 0.000 0.000 0.201 620 D C 1.022 177.387 176.300 0.108 0.000 0.986 620 D CA 1.306 55.349 54.000 0.071 0.000 0.847 620 D CB 0.011 40.842 40.800 0.051 0.000 0.942 620 D HN 0.572 nan 8.370 nan 0.000 0.467 621 N N 0.088 118.875 118.700 0.146 0.000 2.461 621 N HA -0.016 4.724 4.740 0.000 0.000 0.188 621 N C -0.045 175.517 175.510 0.087 0.000 1.134 621 N CA 0.154 53.262 53.050 0.096 0.000 0.878 621 N CB 0.256 38.782 38.487 0.064 0.000 0.972 621 N HN -0.112 nan 8.380 nan 0.000 0.456 622 S N 0.669 116.448 115.700 0.132 0.000 3.919 622 S HA 0.092 4.562 4.470 0.000 0.000 0.245 622 S C 1.191 175.842 174.600 0.084 0.000 1.344 622 S CA -0.169 58.099 58.200 0.114 0.000 0.896 622 S CB -0.249 63.057 63.200 0.176 0.000 1.557 622 S HN 0.415 nan 8.310 nan 0.000 0.468 623 T N -2.084 112.497 114.554 0.044 0.000 3.192 623 T HA 0.198 4.548 4.350 0.000 0.000 0.295 623 T C 0.251 174.903 174.700 -0.080 0.000 0.947 623 T CA -0.462 61.648 62.100 0.015 0.000 0.916 623 T CB 0.178 69.064 68.868 0.029 0.000 1.169 623 T HN 0.226 nan 8.240 nan 0.000 0.540 624 Q N 1.107 120.867 119.800 -0.067 0.000 2.373 624 Q HA 0.492 4.832 4.340 0.000 0.000 0.255 624 Q C -0.347 175.524 176.000 -0.215 0.000 0.980 624 Q CA 0.187 55.920 55.803 -0.117 0.000 0.882 624 Q CB 1.377 30.081 28.738 -0.057 0.000 1.249 624 Q HN 0.563 nan 8.270 nan 0.000 0.438 625 I N 2.177 122.528 120.570 -0.366 0.000 2.545 625 I HA 0.460 4.630 4.170 0.000 0.000 0.292 625 I C -0.394 175.350 176.117 -0.621 0.000 1.040 625 I CA -0.694 60.217 61.300 -0.648 0.000 1.068 625 I CB 1.958 39.219 38.000 -1.231 0.000 1.251 625 I HN 0.375 nan 8.210 nan 0.000 0.424 626 R N 4.132 124.401 120.500 -0.384 0.000 2.740 626 R HA 0.563 4.903 4.340 0.000 0.000 0.273 626 R C -1.471 174.886 176.300 0.095 0.000 0.998 626 R CA -0.764 55.309 56.100 -0.045 0.000 0.900 626 R CB 2.068 32.416 30.300 0.079 0.000 1.223 626 R HN 0.249 nan 8.270 nan 0.000 0.466 627 F N 1.682 121.777 119.950 0.243 0.000 2.418 627 F HA 0.359 4.886 4.527 0.000 0.000 0.341 627 F C 0.066 175.919 175.800 0.088 0.000 1.120 627 F CA 0.155 58.130 58.000 -0.040 0.000 1.232 627 F CB 0.647 39.462 39.000 -0.310 0.000 1.175 627 F HN 0.319 nan 8.300 nan 0.000 0.569 628 F N 2.989 123.005 119.950 0.111 0.000 2.569 628 F HA 0.539 5.066 4.527 0.000 0.000 0.312 628 F C -1.503 174.469 175.800 0.286 0.000 1.109 628 F CA -0.770 57.329 58.000 0.164 0.000 0.919 628 F CB 1.202 40.269 39.000 0.111 0.000 1.211 628 F HN 0.507 nan 8.300 nan 0.000 0.446 629 H N 4.487 123.026 119.070 -0.884 0.000 3.026 629 H HA 0.284 4.840 4.556 0.000 0.000 0.352 629 H C -0.468 174.369 175.328 -0.818 0.000 1.090 629 H CA -0.875 54.727 56.048 -0.743 0.000 1.268 629 H CB 1.200 30.853 29.762 -0.181 0.000 1.816 629 H HN 0.554 nan 8.280 nan 0.000 0.518 630 N N 3.090 121.091 118.700 -1.166 0.000 2.370 630 N HA 0.120 4.860 4.740 0.000 0.000 0.198 630 N C 1.153 176.334 175.510 -0.548 0.000 1.156 630 N CA 0.597 53.251 53.050 -0.660 0.000 0.839 630 N CB 0.175 38.428 38.487 -0.390 0.000 0.989 630 N HN 0.963 nan 8.380 nan 0.000 0.468 631 G N -0.306 107.980 108.800 -0.857 0.000 2.184 631 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 631 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 631 G C -0.503 174.265 174.900 -0.219 0.000 0.975 631 G CA 0.172 45.061 45.100 -0.352 0.000 0.642 631 G HN 0.410 nan 8.290 nan 0.000 0.536 632 E N 0.992 120.996 120.200 -0.327 0.000 2.081 632 E HA 0.538 4.888 4.350 0.000 0.000 0.281 632 E C 0.994 177.596 176.600 0.004 0.000 0.986 632 E CA 0.771 57.099 56.400 -0.120 0.000 0.796 632 E CB 0.555 30.183 29.700 -0.120 0.000 1.085 632 E HN 1.535 nan 8.360 nan 0.000 0.398 633 G N 3.296 112.134 108.800 0.064 0.000 2.632 633 G HA2 -0.246 3.714 3.960 0.000 0.000 0.224 633 G HA3 -0.246 3.714 3.960 0.000 0.000 0.224 633 G C -0.397 174.633 174.900 0.217 0.000 1.341 633 G CA -0.021 45.141 45.100 0.104 0.000 0.880 633 G HN 0.545 nan 8.290 nan 0.000 0.566 634 E N -2.106 118.184 120.200 0.150 0.000 2.393 634 E HA 0.682 5.032 4.350 0.000 0.000 0.273 634 E C -1.561 175.035 176.600 -0.007 0.000 0.918 634 E CA -0.569 55.833 56.400 0.003 0.000 0.773 634 E CB 2.469 32.158 29.700 -0.019 0.000 1.275 634 E HN 1.521 nan 8.360 nan 0.000 0.451 635 V N 2.095 121.865 119.914 -0.241 0.000 2.891 635 V HA 0.361 4.481 4.120 0.000 0.000 0.304 635 V C -1.924 173.935 176.094 -0.392 0.000 1.171 635 V CA -0.374 61.756 62.300 -0.284 0.000 0.943 635 V CB 2.101 33.738 31.823 -0.311 0.000 1.037 635 V HN 0.772 nan 8.190 nan 0.000 0.427 636 Q N 5.394 124.932 119.800 -0.437 0.000 2.348 636 Q HA 0.523 4.863 4.340 0.000 0.000 0.265 636 Q C -1.597 174.186 176.000 -0.362 0.000 0.998 636 Q CA -0.280 55.346 55.803 -0.294 0.000 0.831 636 Q CB 2.293 30.915 28.738 -0.194 0.000 1.251 636 Q HN 0.691 nan 8.270 nan 0.000 0.456 637 F N 2.100 121.989 119.950 -0.102 0.000 2.410 637 F HA 0.458 4.985 4.527 0.000 0.000 0.349 637 F C 0.554 176.369 175.800 0.025 0.000 1.117 637 F CA -0.364 57.649 58.000 0.022 0.000 1.104 637 F CB 0.980 40.083 39.000 0.172 0.000 1.122 637 F HN 0.233 nan 8.300 nan 0.000 0.483 638 R N 1.275 121.895 120.500 0.200 0.000 2.771 638 R HA 0.328 4.668 4.340 0.000 0.000 0.274 638 R C -0.542 175.839 176.300 0.136 0.000 0.987 638 R CA -1.280 54.892 56.100 0.121 0.000 0.908 638 R CB 1.708 32.029 30.300 0.035 0.000 1.213 638 R HN 0.747 nan 8.270 nan 0.000 0.468 639 N N -0.231 118.526 118.700 0.095 0.000 2.714 639 N HA -0.175 4.565 4.740 0.000 0.000 0.252 639 N C -0.886 174.690 175.510 0.110 0.000 1.014 639 N CA 0.016 53.114 53.050 0.080 0.000 0.735 639 N CB -0.774 37.748 38.487 0.060 0.000 0.924 639 N HN 0.110 nan 8.380 nan 0.000 0.540 640 V N 0.410 120.405 119.914 0.135 0.000 2.461 640 V HA 0.561 4.681 4.120 0.000 0.000 0.275 640 V C 0.503 176.620 176.094 0.038 0.000 1.047 640 V CA -0.009 62.370 62.300 0.132 0.000 0.955 640 V CB 1.629 33.568 31.823 0.193 0.000 0.988 640 V HN 0.337 nan 8.190 nan 0.000 0.471 641 S N 3.726 119.450 115.700 0.040 0.000 2.570 641 S HA 0.791 5.261 4.470 0.000 0.000 0.270 641 S C -1.510 173.126 174.600 0.060 0.000 1.149 641 S CA -0.463 57.757 58.200 0.034 0.000 0.837 641 S CB 2.080 65.302 63.200 0.037 0.000 1.124 641 S HN 0.420 nan 8.310 nan 0.000 0.465 642 V N 2.570 122.523 119.914 0.064 0.000 2.577 642 V HA 0.679 4.799 4.120 0.000 0.000 0.303 642 V C -0.359 175.787 176.094 0.086 0.000 1.042 642 V CA -0.646 61.699 62.300 0.075 0.000 0.872 642 V CB 1.786 33.617 31.823 0.013 0.000 0.998 642 V HN 0.826 nan 8.190 nan 0.000 0.423 643 S N 4.015 119.795 115.700 0.133 0.000 2.498 643 S HA 0.476 4.946 4.470 0.000 0.000 0.324 643 S C -0.561 174.154 174.600 0.192 0.000 1.071 643 S CA -0.523 57.754 58.200 0.129 0.000 1.113 643 S CB 0.783 64.049 63.200 0.111 0.000 0.976 643 S HN 0.862 nan 8.310 nan 0.000 0.462 644 E N 3.301 123.602 120.200 0.167 0.000 2.231 644 E HA 0.591 4.941 4.350 0.000 0.000 0.277 644 E C 0.971 177.683 176.600 0.186 0.000 0.999 644 E CA 0.158 56.690 56.400 0.219 0.000 0.827 644 E CB 0.904 30.704 29.700 0.166 0.000 1.101 644 E HN 0.922 nan 8.360 nan 0.000 0.393 645 G N 3.718 112.656 108.800 0.229 0.000 2.491 645 G HA2 -0.258 3.702 3.960 0.000 0.000 0.203 645 G HA3 -0.258 3.702 3.960 0.000 0.000 0.203 645 G C 0.549 175.527 174.900 0.130 0.000 1.052 645 G CA -0.167 45.026 45.100 0.154 0.000 0.675 645 G HN 0.700 nan 8.290 nan 0.000 0.504 646 L N -1.912 119.411 121.223 0.168 0.000 6.780 646 L HA -0.194 4.146 4.340 0.000 0.000 0.053 646 L C 0.680 177.681 176.870 0.218 0.000 1.778 646 L CA 2.204 57.153 54.840 0.182 0.000 1.657 646 L CB -1.363 40.775 42.059 0.132 0.000 2.738 646 L HN 1.681 nan 8.230 nan 0.000 1.065 647 Y N -1.947 118.348 120.300 -0.009 0.000 2.750 647 Y HA 0.549 5.099 4.550 0.000 0.000 0.335 647 Y C -0.671 175.209 175.900 -0.033 0.000 1.252 647 Y CA -1.238 56.842 58.100 -0.033 0.000 1.064 647 Y CB 1.030 39.470 38.460 -0.033 0.000 1.321 647 Y HN 0.423 nan 8.280 nan 0.000 0.451 648 N N 1.108 119.798 118.700 -0.016 0.000 2.437 648 N HA 0.361 5.101 4.740 0.000 0.000 0.243 648 N C 0.315 175.811 175.510 -0.025 0.000 1.041 648 N CA 0.539 53.550 53.050 -0.065 0.000 0.940 648 N CB 1.692 40.199 38.487 0.034 0.000 1.133 648 N HN 0.938 nan 8.380 nan 0.000 0.506 649 A N 3.440 126.137 122.820 -0.206 0.000 2.167 649 A HA 0.002 4.322 4.320 0.000 0.000 0.214 649 A C -0.028 177.370 177.584 -0.310 0.000 1.151 649 A CA 0.317 52.254 52.037 -0.166 0.000 0.735 649 A CB -0.185 18.672 19.000 -0.240 0.000 0.802 649 A HN 0.716 nan 8.150 nan 0.000 0.467 650 W N -0.823 120.528 121.300 0.085 0.000 2.148 650 W HA 0.425 5.085 4.660 0.000 0.000 0.288 650 W C -2.299 174.252 176.519 0.053 0.000 0.920 650 W CA -1.822 55.575 57.345 0.086 0.000 1.904 650 W CB 0.599 30.093 29.460 0.057 0.000 2.083 650 W HN 0.111 nan 8.180 nan 0.000 0.398 651 P HA -0.204 nan 4.420 nan 0.000 0.219 651 P C 1.348 178.718 177.300 0.117 0.000 1.146 651 P CA 1.583 64.752 63.100 0.114 0.000 0.808 651 P CB 0.533 32.269 31.700 0.060 0.000 0.779 652 E N -1.229 119.064 120.200 0.155 0.000 2.299 652 E HA 0.023 4.373 4.350 0.000 0.000 0.193 652 E C 0.925 177.598 176.600 0.121 0.000 0.998 652 E CA 0.368 56.844 56.400 0.127 0.000 0.851 652 E CB -0.161 29.620 29.700 0.134 0.000 0.795 652 E HN 0.227 nan 8.360 nan 0.000 0.492 653 R N 0.000 120.594 120.500 0.157 0.000 2.786 653 R HA 0.000 4.340 4.340 0.000 0.000 0.208 653 R CA 0.000 56.159 56.100 0.098 0.000 0.921 653 R CB 0.000 30.351 30.300 0.086 0.000 0.687 653 R HN 0.000 nan 8.270 nan 0.000 0.535