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 1xmf_1_A DATA FIRST_RESID 18 DATA SEQUENCE RAPTSVNAQE VHRWLQSFNW DFKNNRTKYA TKYKMANETK EQFKLIAKEY DATA SEQUENCE ARMEAVKDER QFGSLQDALT RLNAGVRVHP KWNETMKVVS NFLEVGEYNA DATA SEQUENCE IAATGMLWDS AQAAEQKNGY LAQVLDEIRH THQCAYVNYY FAKNGQDPAG DATA SEQUENCE HNDARRTRTI GPLWKGMKRV FSDGFISGDA VECSLNLQLV GEACFTNPLI DATA SEQUENCE VAVTEWAAAN GDEITPTVFL SIETDELRHM ANGYQTVVSI ANDPASAKYL DATA SEQUENCE NTDLNNAFWT QQKYFTPVLG MLFEYGSKFK VEPWVKTWDR WVYEDWGGIW DATA SEQUENCE IGRLGKYGVE SPRSLKDAKQ DAYWAHHDLY LLAYALWPTG FFRLALPDQE DATA SEQUENCE EMEWFEANYP GWYDHYGKIY EEWRARGCED PSSGFIPLMW FIENNHPIYI DATA SEQUENCE DRVSQVPFCP SLAKGASTLR VHEYNGEMHT FSDQWGERMW LAEPERYECQ DATA SEQUENCE NIFEQYEGRE LSEVIAELHG LRSDGKTLIA QPHVRGDKLW TLDDIKRLNC DATA SEQUENCE VFKNPVKAFN 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.304 176.300 0.007 0.000 0.893 18 R CA 0.000 56.104 56.100 0.006 0.000 0.921 18 R CB 0.000 30.303 30.300 0.005 0.000 0.687 19 A N 1.694 124.518 122.820 0.007 0.000 2.363 19 A HA 0.529 4.849 4.320 -0.000 0.000 0.270 19 A C -2.051 175.538 177.584 0.009 0.000 1.121 19 A CA -0.956 51.086 52.037 0.008 0.000 0.800 19 A CB -0.055 18.950 19.000 0.008 0.000 1.052 19 A HN 0.031 nan 8.150 nan 0.000 0.493 20 P HA 0.178 nan 4.420 nan 0.000 0.260 20 P C -0.199 177.109 177.300 0.013 0.000 1.185 20 P CA 0.824 63.931 63.100 0.011 0.000 0.763 20 P CB 0.472 32.177 31.700 0.010 0.000 0.776 21 T N 1.081 115.644 114.554 0.014 0.000 2.894 21 T HA 0.614 4.964 4.350 -0.000 0.000 0.309 21 T C -0.849 173.864 174.700 0.020 0.000 1.208 21 T CA -0.378 61.733 62.100 0.018 0.000 1.016 21 T CB 1.343 70.223 68.868 0.019 0.000 1.192 21 T HN 0.243 nan 8.240 nan 0.000 0.491 22 S N 1.401 117.115 115.700 0.024 0.000 2.911 22 S HA 0.902 5.372 4.470 -0.000 0.000 0.319 22 S C -1.670 172.951 174.600 0.036 0.000 1.154 22 S CA -0.457 57.760 58.200 0.028 0.000 0.857 22 S CB 1.344 64.560 63.200 0.026 0.000 1.279 22 S HN 0.729 nan 8.310 nan 0.000 0.593 23 V N 3.238 123.177 119.914 0.042 0.000 2.686 23 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 23 V C -0.620 175.507 176.094 0.055 0.000 1.065 23 V CA -0.980 61.353 62.300 0.054 0.000 0.894 23 V CB 1.354 33.216 31.823 0.065 0.000 1.004 23 V HN 0.972 nan 8.190 nan 0.000 0.424 24 N N 3.618 122.351 118.700 0.055 0.000 2.538 24 N HA 0.653 5.393 4.740 -0.000 0.000 0.292 24 N C 1.026 176.575 175.510 0.065 0.000 1.262 24 N CA -0.129 52.952 53.050 0.051 0.000 0.976 24 N CB 1.118 39.627 38.487 0.037 0.000 1.161 24 N HN 0.561 nan 8.380 nan 0.000 0.598 25 A N -0.609 122.247 122.820 0.060 0.000 1.877 25 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 25 A C 2.030 179.664 177.584 0.083 0.000 1.186 25 A CA 1.951 54.033 52.037 0.075 0.000 0.620 25 A CB -1.356 17.683 19.000 0.065 0.000 0.822 25 A HN 0.869 nan 8.150 nan 0.000 0.443 26 Q N -0.355 119.470 119.800 0.042 0.000 2.181 26 Q HA -0.226 4.114 4.340 -0.000 0.000 0.205 26 Q C 1.525 177.562 176.000 0.061 0.000 0.980 26 Q CA 1.807 57.623 55.803 0.023 0.000 0.862 26 Q CB -0.490 28.233 28.738 -0.025 0.000 0.905 26 Q HN 0.739 nan 8.270 nan 0.000 0.429 27 E N 0.355 120.600 120.200 0.075 0.000 2.268 27 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 27 E C 1.852 178.561 176.600 0.182 0.000 0.995 27 E CA 1.163 57.629 56.400 0.110 0.000 0.836 27 E CB 0.279 30.042 29.700 0.105 0.000 0.763 27 E HN 0.249 nan 8.360 nan 0.000 0.491 28 V N 0.199 120.215 119.914 0.170 0.000 2.575 28 V HA -0.155 3.965 4.120 -0.000 0.000 0.242 28 V C 2.209 178.398 176.094 0.158 0.000 1.045 28 V CA 1.117 63.543 62.300 0.210 0.000 1.065 28 V CB -0.371 31.555 31.823 0.171 0.000 0.717 28 V HN 0.393 nan 8.190 nan 0.000 0.467 29 H N 1.186 120.254 119.070 -0.003 0.000 2.457 29 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 29 H C 2.413 177.650 175.328 -0.152 0.000 1.092 29 H CA 1.563 57.553 56.048 -0.096 0.000 1.309 29 H CB -0.009 29.705 29.762 -0.080 0.000 1.382 29 H HN 0.179 nan 8.280 nan 0.000 0.535 30 R N 0.209 120.690 120.500 -0.032 0.000 2.200 30 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 30 R C 0.921 176.883 176.300 -0.563 0.000 1.127 30 R CA 1.414 57.335 56.100 -0.298 0.000 0.989 30 R CB -0.576 29.484 30.300 -0.400 0.000 0.869 30 R HN 0.397 nan 8.270 nan 0.000 0.459 31 W N -0.391 120.861 121.300 -0.079 0.000 3.132 31 W HA 0.155 4.815 4.660 0.000 0.000 0.364 31 W C 1.454 177.824 176.519 -0.248 0.000 1.129 31 W CA -0.734 56.586 57.345 -0.041 0.000 1.815 31 W CB 0.068 29.596 29.460 0.113 0.000 1.099 31 W HN 0.017 nan 8.180 nan 0.000 0.605 32 L N 0.993 121.921 121.223 -0.492 0.000 2.093 32 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 32 L C 2.566 179.115 176.870 -0.535 0.000 1.085 32 L CA 1.986 56.191 54.840 -1.057 0.000 0.755 32 L CB -0.587 40.870 42.059 -1.003 0.000 0.904 32 L HN -0.022 nan 8.230 nan 0.000 0.435 33 Q N -0.542 119.076 119.800 -0.303 0.000 2.297 33 Q HA -0.178 4.162 4.340 -0.000 0.000 0.208 33 Q C 2.205 178.236 176.000 0.051 0.000 0.981 33 Q CA 1.714 57.445 55.803 -0.121 0.000 0.876 33 Q CB -0.269 28.403 28.738 -0.109 0.000 0.921 33 Q HN 0.728 nan 8.270 nan 0.000 0.446 34 S N -1.470 114.331 115.700 0.168 0.000 2.496 34 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 34 S C 1.435 176.309 174.600 0.456 0.000 0.996 34 S CA 0.017 58.407 58.200 0.316 0.000 0.927 34 S CB -0.411 63.037 63.200 0.413 0.000 0.774 34 S HN 0.291 nan 8.310 nan 0.000 0.524 35 F N 2.791 122.836 119.950 0.159 0.000 2.154 35 F HA 0.115 4.642 4.527 -0.000 0.000 0.301 35 F C 1.506 177.484 175.800 0.296 0.000 1.087 35 F CA -0.008 58.109 58.000 0.195 0.000 1.274 35 F CB -1.314 37.770 39.000 0.140 0.000 1.009 35 F HN 0.279 nan 8.300 nan 0.000 0.485 36 N N -0.075 118.872 118.700 0.412 0.000 2.530 36 N HA 0.121 4.861 4.740 -0.000 0.000 0.273 36 N C -0.685 175.046 175.510 0.368 0.000 1.173 36 N CA -0.227 52.992 53.050 0.281 0.000 0.967 36 N CB 0.635 39.190 38.487 0.113 0.000 1.109 36 N HN 0.196 nan 8.380 nan 0.000 0.453 37 W N 1.133 122.554 121.300 0.202 0.000 2.929 37 W HA 0.575 5.235 4.660 0.000 0.000 0.345 37 W C -1.248 175.414 176.519 0.239 0.000 1.151 37 W CA -0.898 56.562 57.345 0.191 0.000 1.111 37 W CB 0.364 29.927 29.460 0.171 0.000 1.449 37 W HN 0.239 nan 8.180 nan 0.000 0.572 38 D N 1.350 121.971 120.400 0.368 0.000 2.175 38 D HA 0.610 5.250 4.640 -0.000 0.000 0.248 38 D C -0.772 175.777 176.300 0.413 0.000 1.047 38 D CA 0.120 54.230 54.000 0.184 0.000 0.883 38 D CB 1.059 41.931 40.800 0.120 0.000 1.180 38 D HN 0.403 nan 8.370 nan 0.000 0.438 39 F N -1.533 118.427 119.950 0.015 0.000 2.719 39 F HA 0.401 4.928 4.527 -0.000 0.000 0.309 39 F C 0.964 176.770 175.800 0.009 0.000 1.138 39 F CA -1.254 56.779 58.000 0.054 0.000 0.943 39 F CB 1.247 40.308 39.000 0.101 0.000 1.304 39 F HN 0.139 nan 8.300 nan 0.000 0.445 40 K N 1.016 121.528 120.400 0.186 0.000 2.032 40 K HA -0.240 4.080 4.320 -0.000 0.000 0.218 40 K C 0.618 177.205 176.600 -0.023 0.000 1.054 40 K CA 2.728 59.056 56.287 0.068 0.000 0.941 40 K CB -0.433 32.129 32.500 0.104 0.000 0.720 40 K HN 0.867 nan 8.250 nan 0.000 0.449 41 N N 0.834 119.573 118.700 0.066 0.000 2.362 41 N HA -0.041 4.699 4.740 -0.000 0.000 0.204 41 N C -0.423 174.933 175.510 -0.257 0.000 1.166 41 N CA -0.426 52.617 53.050 -0.012 0.000 0.831 41 N CB 0.069 38.629 38.487 0.123 0.000 1.008 41 N HN 0.127 nan 8.380 nan 0.000 0.472 42 N N 2.307 120.520 118.700 -0.811 0.000 2.605 42 N HA 0.059 4.799 4.740 -0.000 0.000 0.258 42 N C -0.845 174.369 175.510 -0.493 0.000 1.156 42 N CA -0.084 52.287 53.050 -1.131 0.000 1.008 42 N CB -0.057 37.307 38.487 -1.872 0.000 1.354 42 N HN 0.272 nan 8.380 nan 0.000 0.509 43 R N -0.663 119.667 120.500 -0.284 0.000 2.733 43 R HA 0.487 4.827 4.340 -0.000 0.000 0.272 43 R C -0.795 175.444 176.300 -0.102 0.000 1.029 43 R CA -0.848 55.155 56.100 -0.161 0.000 0.888 43 R CB -0.621 29.604 30.300 -0.125 0.000 1.251 43 R HN -0.051 nan 8.270 nan 0.000 0.464 44 T N 1.244 115.764 114.554 -0.056 0.000 2.930 44 T HA 0.153 4.503 4.350 -0.000 0.000 0.306 44 T C 0.472 175.141 174.700 -0.052 0.000 1.045 44 T CA -0.364 61.726 62.100 -0.016 0.000 1.134 44 T CB 0.535 69.428 68.868 0.040 0.000 0.961 44 T HN 0.508 nan 8.240 nan 0.000 0.545 45 K N 0.863 121.208 120.400 -0.092 0.000 2.426 45 K HA 0.087 4.407 4.320 -0.000 0.000 0.193 45 K C -0.321 176.018 176.600 -0.436 0.000 1.028 45 K CA 0.491 56.616 56.287 -0.270 0.000 1.047 45 K CB 0.214 32.490 32.500 -0.373 0.000 0.821 45 K HN 0.542 nan 8.250 nan 0.000 0.513 46 Y N 0.749 121.009 120.300 -0.067 0.000 2.361 46 Y HA 0.375 4.925 4.550 -0.000 0.000 0.332 46 Y C 0.358 176.233 175.900 -0.042 0.000 1.101 46 Y CA -1.384 56.681 58.100 -0.058 0.000 1.137 46 Y CB 1.093 39.512 38.460 -0.067 0.000 1.207 46 Y HN -0.094 nan 8.280 nan 0.000 0.463 47 A N 1.936 124.814 122.820 0.096 0.000 2.477 47 A HA 0.520 4.840 4.320 -0.000 0.000 0.246 47 A C 0.149 177.775 177.584 0.071 0.000 1.078 47 A CA 0.339 52.406 52.037 0.048 0.000 0.770 47 A CB 0.127 19.139 19.000 0.020 0.000 1.011 47 A HN 0.688 nan 8.150 nan 0.000 0.494 48 T N 1.020 115.607 114.554 0.055 0.000 3.225 48 T HA 0.326 4.676 4.350 -0.000 0.000 0.356 48 T C 0.302 175.047 174.700 0.075 0.000 1.460 48 T CA -0.610 61.547 62.100 0.095 0.000 1.126 48 T CB 0.839 69.782 68.868 0.125 0.000 1.321 48 T HN 0.633 nan 8.240 nan 0.000 0.478 49 K N 1.968 122.412 120.400 0.074 0.000 2.366 49 K HA 0.110 4.430 4.320 -0.000 0.000 0.198 49 K C -0.331 176.182 176.600 -0.145 0.000 1.044 49 K CA 0.723 56.907 56.287 -0.172 0.000 0.973 49 K CB 0.100 32.226 32.500 -0.624 0.000 0.767 49 K HN 0.478 nan 8.250 nan 0.000 0.475 50 Y N 0.940 121.252 120.300 0.021 0.000 2.419 50 Y HA 0.416 4.966 4.550 -0.000 0.000 0.328 50 Y C 0.453 176.371 175.900 0.030 0.000 1.162 50 Y CA -1.174 56.956 58.100 0.050 0.000 1.174 50 Y CB 0.809 39.301 38.460 0.054 0.000 1.228 50 Y HN -0.248 nan 8.280 nan 0.000 0.473 51 K N 3.098 123.603 120.400 0.175 0.000 2.307 51 K HA 0.665 4.985 4.320 -0.000 0.000 0.263 51 K C -0.840 175.812 176.600 0.087 0.000 0.973 51 K CA -0.709 55.636 56.287 0.097 0.000 0.846 51 K CB 0.531 33.062 32.500 0.052 0.000 1.100 51 K HN 0.817 nan 8.250 nan 0.000 0.438 52 M N 2.789 122.431 119.600 0.070 0.000 2.084 52 M HA 0.376 4.856 4.480 -0.000 0.000 0.351 52 M C 0.593 176.908 176.300 0.026 0.000 1.240 52 M CA -0.720 54.612 55.300 0.054 0.000 1.083 52 M CB 1.570 34.211 32.600 0.069 0.000 1.593 52 M HN 0.798 nan 8.290 nan 0.000 0.463 53 A N 3.005 125.831 122.820 0.010 0.000 2.546 53 A HA 0.066 4.386 4.320 -0.000 0.000 0.243 53 A C 0.644 178.223 177.584 -0.007 0.000 1.063 53 A CA -0.324 51.710 52.037 -0.004 0.000 0.757 53 A CB -0.292 18.698 19.000 -0.017 0.000 0.991 53 A HN 0.952 nan 8.150 nan 0.000 0.503 54 N N 1.215 119.909 118.700 -0.010 0.000 2.421 54 N HA 0.231 4.971 4.740 -0.000 0.000 0.201 54 N C 0.625 176.127 175.510 -0.013 0.000 1.198 54 N CA 0.883 53.926 53.050 -0.011 0.000 0.838 54 N CB 0.090 38.568 38.487 -0.015 0.000 1.011 54 N HN 0.722 nan 8.380 nan 0.000 0.463 55 E N -0.455 119.735 120.200 -0.017 0.000 2.489 55 E HA 0.094 4.444 4.350 -0.000 0.000 0.204 55 E C 0.493 177.074 176.600 -0.031 0.000 1.006 55 E CA -0.132 56.255 56.400 -0.021 0.000 0.936 55 E CB -0.685 29.004 29.700 -0.018 0.000 1.002 55 E HN 0.363 nan 8.360 nan 0.000 0.488 56 T N 2.424 116.958 114.554 -0.034 0.000 2.946 56 T HA 0.231 4.581 4.350 -0.000 0.000 0.312 56 T C 0.145 174.813 174.700 -0.053 0.000 1.066 56 T CA 0.418 62.492 62.100 -0.043 0.000 1.138 56 T CB 0.477 69.317 68.868 -0.047 0.000 1.014 56 T HN 0.299 nan 8.240 nan 0.000 0.544 57 K N 1.945 122.315 120.400 -0.051 0.000 2.281 57 K HA 0.418 4.738 4.320 -0.000 0.000 0.242 57 K C 0.028 176.598 176.600 -0.050 0.000 0.971 57 K CA -0.997 55.263 56.287 -0.044 0.000 0.834 57 K CB 1.779 34.257 32.500 -0.037 0.000 1.181 57 K HN 0.746 nan 8.250 nan 0.000 0.435 58 E N 0.447 120.634 120.200 -0.022 0.000 2.222 58 E HA 0.084 4.434 4.350 -0.000 0.000 0.272 58 E C 0.365 176.927 176.600 -0.063 0.000 0.982 58 E CA -0.635 55.748 56.400 -0.028 0.000 0.842 58 E CB 1.764 31.470 29.700 0.010 0.000 1.144 58 E HN 0.598 nan 8.360 nan 0.000 0.397 59 Q N 1.467 121.216 119.800 -0.084 0.000 2.167 59 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 59 Q C -0.607 175.040 176.000 -0.589 0.000 0.970 59 Q CA 0.966 56.570 55.803 -0.333 0.000 0.855 59 Q CB 0.095 28.585 28.738 -0.412 0.000 0.911 59 Q HN 0.553 nan 8.270 nan 0.000 0.438 60 F N 0.850 120.723 119.950 -0.128 0.000 2.444 60 F HA 0.380 4.907 4.527 -0.000 0.000 0.342 60 F C -0.326 175.287 175.800 -0.311 0.000 1.121 60 F CA -0.974 56.929 58.000 -0.162 0.000 0.997 60 F CB 1.559 40.512 39.000 -0.079 0.000 1.130 60 F HN -0.280 nan 8.300 nan 0.000 0.454 61 K N 5.221 125.409 120.400 -0.352 0.000 2.307 61 K HA 0.388 4.708 4.320 -0.000 0.000 0.240 61 K C -0.746 175.704 176.600 -0.251 0.000 1.214 61 K CA 0.036 55.808 56.287 -0.859 0.000 1.149 61 K CB 0.073 32.123 32.500 -0.751 0.000 1.668 61 K HN 0.550 nan 8.250 nan 0.000 0.314 62 L N 2.630 123.844 121.223 -0.015 0.000 2.334 62 L HA 0.637 4.977 4.340 -0.000 0.000 0.270 62 L C 0.132 177.087 176.870 0.141 0.000 1.018 62 L CA -1.371 53.526 54.840 0.096 0.000 0.811 62 L CB 1.222 43.353 42.059 0.119 0.000 1.271 62 L HN 0.365 nan 8.230 nan 0.000 0.443 63 I N -2.008 118.631 120.570 0.116 0.000 2.892 63 I HA 0.605 4.775 4.170 -0.000 0.000 0.306 63 I C 0.901 177.081 176.117 0.104 0.000 1.078 63 I CA -0.875 60.483 61.300 0.096 0.000 1.032 63 I CB 2.032 40.093 38.000 0.101 0.000 1.229 63 I HN 0.649 nan 8.210 nan 0.000 0.435 64 A N 3.228 126.094 122.820 0.075 0.000 1.896 64 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 64 A C 2.125 179.795 177.584 0.143 0.000 1.206 64 A CA 1.926 54.018 52.037 0.091 0.000 0.647 64 A CB -0.723 18.309 19.000 0.053 0.000 0.828 64 A HN 0.839 nan 8.150 nan 0.000 0.455 65 K N -0.724 119.739 120.400 0.105 0.000 2.020 65 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 65 K C 2.008 178.658 176.600 0.083 0.000 1.050 65 K CA 1.864 58.204 56.287 0.088 0.000 0.929 65 K CB -0.474 32.069 32.500 0.071 0.000 0.714 65 K HN 0.626 nan 8.250 nan 0.000 0.443 66 E N 0.354 120.606 120.200 0.086 0.000 2.106 66 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 66 E C 1.989 178.621 176.600 0.053 0.000 0.984 66 E CA 1.002 57.439 56.400 0.061 0.000 0.806 66 E CB -0.397 29.341 29.700 0.063 0.000 0.750 66 E HN 0.342 nan 8.360 nan 0.000 0.458 67 Y N 0.448 120.750 120.300 0.003 0.000 2.097 67 Y HA -0.210 4.340 4.550 -0.000 0.000 0.282 67 Y C 2.122 178.019 175.900 -0.005 0.000 1.152 67 Y CA 2.290 60.383 58.100 -0.012 0.000 1.136 67 Y CB -0.832 37.614 38.460 -0.023 0.000 0.975 67 Y HN 0.097 nan 8.280 nan 0.000 0.498 68 A N 1.019 123.856 122.820 0.028 0.000 1.908 68 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 68 A C 2.451 179.967 177.584 -0.112 0.000 1.181 68 A CA 2.001 54.018 52.037 -0.033 0.000 0.627 68 A CB -0.927 18.129 19.000 0.093 0.000 0.818 68 A HN 0.583 nan 8.150 nan 0.000 0.445 69 R N -0.126 120.335 120.500 -0.066 0.000 2.073 69 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 69 R C 2.374 178.618 176.300 -0.095 0.000 1.134 69 R CA 1.989 58.056 56.100 -0.056 0.000 0.952 69 R CB -0.407 29.880 30.300 -0.022 0.000 0.850 69 R HN 0.762 nan 8.270 nan 0.000 0.433 70 M N -0.876 118.642 119.600 -0.136 0.000 2.296 70 M HA -0.017 4.463 4.480 -0.000 0.000 0.265 70 M C 1.327 177.518 176.300 -0.181 0.000 1.064 70 M CA 1.564 56.780 55.300 -0.140 0.000 1.109 70 M CB -0.133 32.387 32.600 -0.133 0.000 1.396 70 M HN -0.124 nan 8.290 nan 0.000 0.430 71 E N 1.305 121.333 120.200 -0.287 0.000 2.112 71 E HA 0.103 4.453 4.350 -0.000 0.000 0.190 71 E C 2.303 178.830 176.600 -0.121 0.000 0.979 71 E CA 1.566 57.809 56.400 -0.262 0.000 0.814 71 E CB -0.339 29.091 29.700 -0.449 0.000 0.762 71 E HN 0.615 nan 8.360 nan 0.000 0.460 72 A N 0.175 122.938 122.820 -0.094 0.000 1.930 72 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 72 A C 2.434 180.008 177.584 -0.017 0.000 1.175 72 A CA 1.363 53.383 52.037 -0.028 0.000 0.627 72 A CB -0.608 18.380 19.000 -0.019 0.000 0.815 72 A HN 0.153 nan 8.150 nan 0.000 0.443 73 V N 0.245 120.136 119.914 -0.038 0.000 2.407 73 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 73 V C 2.414 178.487 176.094 -0.035 0.000 1.055 73 V CA 2.362 64.644 62.300 -0.030 0.000 1.049 73 V CB -0.643 31.158 31.823 -0.037 0.000 0.662 73 V HN 0.565 nan 8.190 nan 0.000 0.455 74 K N -0.378 119.990 120.400 -0.054 0.000 2.097 74 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 74 K C 1.902 178.454 176.600 -0.080 0.000 1.050 74 K CA 1.497 57.743 56.287 -0.068 0.000 0.938 74 K CB -0.278 32.175 32.500 -0.079 0.000 0.718 74 K HN 0.407 nan 8.250 nan 0.000 0.442 75 D N 1.168 121.546 120.400 -0.037 0.000 2.097 75 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 75 D C 1.762 178.107 176.300 0.074 0.000 0.989 75 D CA 1.054 55.065 54.000 0.017 0.000 0.827 75 D CB -0.107 40.818 40.800 0.207 0.000 0.966 75 D HN 0.219 nan 8.370 nan 0.000 0.456 76 E N 0.384 120.626 120.200 0.069 0.000 2.048 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 76 E C 2.241 178.858 176.600 0.030 0.000 1.021 76 E CA 1.190 57.629 56.400 0.066 0.000 0.825 76 E CB 0.029 29.747 29.700 0.030 0.000 0.756 76 E HN 0.246 nan 8.360 nan 0.000 0.454 77 R N 0.383 120.872 120.500 -0.019 0.000 2.080 77 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 77 R C 2.602 178.854 176.300 -0.080 0.000 1.137 77 R CA 1.621 57.697 56.100 -0.040 0.000 0.943 77 R CB -0.456 29.814 30.300 -0.050 0.000 0.846 77 R HN 0.283 nan 8.270 nan 0.000 0.431 78 Q N 0.428 120.126 119.800 -0.170 0.000 1.985 78 Q HA -0.196 4.144 4.340 -0.000 0.000 0.207 78 Q C 1.932 177.738 176.000 -0.323 0.000 0.996 78 Q CA 1.921 57.535 55.803 -0.315 0.000 0.851 78 Q CB -0.143 28.269 28.738 -0.542 0.000 0.921 78 Q HN 0.319 nan 8.270 nan 0.000 0.418 79 F N -0.311 119.583 119.950 -0.093 0.000 2.293 79 F HA -0.041 4.486 4.527 -0.000 0.000 0.300 79 F C 2.254 178.038 175.800 -0.027 0.000 1.086 79 F CA 0.623 58.566 58.000 -0.094 0.000 1.375 79 F CB -0.407 38.513 39.000 -0.134 0.000 1.045 79 F HN 0.280 nan 8.300 nan 0.000 0.516 80 G N -0.570 108.302 108.800 0.120 0.000 2.421 80 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 80 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 80 G C 1.834 176.767 174.900 0.055 0.000 1.171 80 G CA 1.074 46.224 45.100 0.082 0.000 0.775 80 G HN 0.298 nan 8.290 nan 0.000 0.543 81 S N 0.477 116.183 115.700 0.011 0.000 2.356 81 S HA -0.042 4.428 4.470 -0.000 0.000 0.223 81 S C 2.343 176.944 174.600 0.003 0.000 1.032 81 S CA 1.010 59.206 58.200 -0.007 0.000 1.005 81 S CB -0.308 62.865 63.200 -0.045 0.000 0.867 81 S HN 0.308 nan 8.310 nan 0.000 0.449 82 L N 1.227 122.446 121.223 -0.007 0.000 1.976 82 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 82 L C 2.729 179.705 176.870 0.177 0.000 1.071 82 L CA 1.460 56.295 54.840 -0.009 0.000 0.746 82 L CB -0.623 41.446 42.059 0.016 0.000 0.890 82 L HN 0.356 nan 8.230 nan 0.000 0.432 83 Q N -0.929 119.010 119.800 0.233 0.000 2.224 83 Q HA -0.168 4.172 4.340 -0.000 0.000 0.203 83 Q C 1.195 177.292 176.000 0.162 0.000 0.970 83 Q CA 1.184 57.133 55.803 0.243 0.000 0.865 83 Q CB 0.058 28.926 28.738 0.217 0.000 0.922 83 Q HN 0.474 nan 8.270 nan 0.000 0.445 84 D N -0.280 120.191 120.400 0.118 0.000 2.685 84 D HA 0.114 4.754 4.640 -0.000 0.000 0.257 84 D C 1.604 177.947 176.300 0.072 0.000 1.472 84 D CA 0.971 55.021 54.000 0.084 0.000 1.125 84 D CB -0.329 40.508 40.800 0.063 0.000 0.969 84 D HN -0.009 nan 8.370 nan 0.000 0.281 85 A N 0.631 123.482 122.820 0.052 0.000 1.892 85 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 85 A C 2.585 180.198 177.584 0.048 0.000 1.188 85 A CA 1.581 53.643 52.037 0.041 0.000 0.631 85 A CB -1.165 17.849 19.000 0.024 0.000 0.822 85 A HN 0.435 nan 8.150 nan 0.000 0.447 86 L N -0.979 120.271 121.223 0.046 0.000 2.083 86 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 86 L C 2.771 179.711 176.870 0.117 0.000 1.083 86 L CA 1.764 56.634 54.840 0.049 0.000 0.752 86 L CB -0.871 41.176 42.059 -0.019 0.000 0.899 86 L HN 0.359 nan 8.230 nan 0.000 0.433 87 T N -1.048 113.601 114.554 0.159 0.000 2.821 87 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 87 T C 2.040 176.804 174.700 0.106 0.000 1.046 87 T CA 1.060 63.270 62.100 0.182 0.000 1.139 87 T CB -0.146 68.832 68.868 0.183 0.000 0.871 87 T HN 0.245 nan 8.240 nan 0.000 0.454 88 R N 0.512 121.061 120.500 0.082 0.000 2.115 88 R HA 0.084 4.424 4.340 -0.000 0.000 0.230 88 R C 1.874 178.206 176.300 0.053 0.000 1.111 88 R CA 0.905 57.040 56.100 0.058 0.000 0.976 88 R CB -0.223 30.105 30.300 0.047 0.000 0.870 88 R HN 0.370 nan 8.270 nan 0.000 0.445 89 L N 0.158 121.417 121.223 0.059 0.000 2.599 89 L HA 0.067 4.407 4.340 -0.000 0.000 0.230 89 L C 0.463 177.373 176.870 0.066 0.000 1.141 89 L CA 0.289 55.161 54.840 0.053 0.000 0.877 89 L CB -0.367 41.719 42.059 0.046 0.000 1.009 89 L HN 0.398 nan 8.230 nan 0.000 0.447 90 N N -0.557 118.192 118.700 0.081 0.000 2.754 90 N HA -0.242 4.498 4.740 -0.000 0.000 0.248 90 N C 1.091 176.674 175.510 0.122 0.000 1.093 90 N CA 0.183 53.288 53.050 0.091 0.000 0.699 90 N CB -0.169 38.359 38.487 0.068 0.000 1.016 90 N HN 0.439 nan 8.380 nan 0.000 0.552 91 A N -0.395 122.507 122.820 0.138 0.000 2.070 91 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 91 A C 2.184 179.907 177.584 0.232 0.000 1.159 91 A CA 1.845 53.972 52.037 0.150 0.000 0.656 91 A CB -0.486 18.570 19.000 0.094 0.000 0.800 91 A HN 0.603 nan 8.150 nan 0.000 0.453 92 G N -1.301 107.666 108.800 0.279 0.000 2.534 92 G HA2 0.086 4.046 3.960 -0.000 0.000 0.217 92 G HA3 0.086 4.046 3.960 -0.000 0.000 0.217 92 G C 1.245 176.357 174.900 0.353 0.000 1.128 92 G CA 1.194 46.495 45.100 0.336 0.000 0.784 92 G HN 0.331 nan 8.290 nan 0.000 0.542 93 V N -0.020 120.030 119.914 0.227 0.000 2.788 93 V HA 0.116 4.236 4.120 -0.000 0.000 0.241 93 V C 1.737 177.928 176.094 0.162 0.000 1.083 93 V CA 0.303 62.708 62.300 0.176 0.000 1.103 93 V CB -0.106 31.781 31.823 0.106 0.000 0.800 93 V HN 0.184 nan 8.190 nan 0.000 0.476 94 R N 0.752 121.342 120.500 0.151 0.000 4.980 94 R HA 0.232 4.572 4.340 -0.000 0.000 0.190 94 R C -0.726 175.669 176.300 0.158 0.000 2.095 94 R CA -0.007 56.169 56.100 0.127 0.000 1.717 94 R CB -0.367 29.993 30.300 0.099 0.000 1.337 94 R HN 0.246 nan 8.270 nan 0.000 0.820 95 V N 0.166 120.192 119.914 0.186 0.000 2.769 95 V HA 0.109 4.229 4.120 -0.000 0.000 0.312 95 V C 0.287 176.497 176.094 0.193 0.000 1.061 95 V CA -1.089 61.347 62.300 0.228 0.000 0.931 95 V CB 2.045 34.051 31.823 0.304 0.000 1.010 95 V HN 0.435 nan 8.190 nan 0.000 0.433 96 H N 4.943 124.107 119.070 0.156 0.000 2.848 96 H HA 0.112 4.668 4.556 -0.000 0.000 0.341 96 H C -1.870 173.525 175.328 0.112 0.000 1.060 96 H CA -1.122 54.991 56.048 0.109 0.000 1.444 96 H CB 1.982 31.780 29.762 0.061 0.000 1.446 96 H HN 0.339 nan 8.280 nan 0.000 0.583 97 P HA -0.193 nan 4.420 nan 0.000 0.216 97 P C 1.200 178.589 177.300 0.148 0.000 1.154 97 P CA 2.061 65.155 63.100 -0.010 0.000 0.865 97 P CB 0.273 31.905 31.700 -0.113 0.000 0.789 98 K N -1.804 118.825 120.400 0.381 0.000 2.103 98 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 98 K C 2.181 178.883 176.600 0.170 0.000 1.048 98 K CA 1.314 57.746 56.287 0.243 0.000 0.930 98 K CB -0.600 32.023 32.500 0.206 0.000 0.716 98 K HN 0.301 nan 8.250 nan 0.000 0.444 99 W N 2.470 123.805 121.300 0.059 0.000 2.418 99 W HA -0.136 4.524 4.660 -0.000 0.000 0.292 99 W C 1.727 178.183 176.519 -0.106 0.000 1.213 99 W CA 0.947 58.280 57.345 -0.019 0.000 1.283 99 W CB -0.145 29.329 29.460 0.023 0.000 1.119 99 W HN 0.200 nan 8.180 nan 0.000 0.542 100 N N 0.865 119.532 118.700 -0.054 0.000 2.104 100 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 100 N C 1.339 176.692 175.510 -0.262 0.000 1.024 100 N CA 1.649 54.564 53.050 -0.225 0.000 0.853 100 N CB -0.208 38.238 38.487 -0.067 0.000 1.008 100 N HN 0.118 nan 8.380 nan 0.000 0.424 101 E N 0.239 120.308 120.200 -0.218 0.000 2.047 101 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 101 E C 2.021 178.356 176.600 -0.442 0.000 0.987 101 E CA 1.065 57.301 56.400 -0.273 0.000 0.799 101 E CB -0.951 28.670 29.700 -0.132 0.000 0.752 101 E HN 0.404 nan 8.360 nan 0.000 0.449 102 T N 1.862 116.118 114.554 -0.497 0.000 2.699 102 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 102 T C 1.729 176.000 174.700 -0.716 0.000 1.036 102 T CA 1.344 63.039 62.100 -0.674 0.000 1.147 102 T CB -0.099 68.282 68.868 -0.811 0.000 0.862 102 T HN 0.039 nan 8.240 nan 0.000 0.446 103 M N 0.928 120.083 119.600 -0.743 0.000 2.460 103 M HA 0.040 4.520 4.480 -0.000 0.000 0.263 103 M C 1.924 178.145 176.300 -0.131 0.000 1.071 103 M CA 1.119 56.155 55.300 -0.440 0.000 1.096 103 M CB -0.844 31.515 32.600 -0.402 0.000 1.408 103 M HN 0.293 nan 8.290 nan 0.000 0.463 104 K N -0.540 119.693 120.400 -0.277 0.000 2.057 104 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 104 K C 2.040 178.638 176.600 -0.003 0.000 1.050 104 K CA 1.083 57.263 56.287 -0.178 0.000 0.935 104 K CB -0.114 32.141 32.500 -0.407 0.000 0.715 104 K HN 0.147 nan 8.250 nan 0.000 0.439 105 V N 0.782 120.471 119.914 -0.374 0.000 2.302 105 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 105 V C 2.263 178.148 176.094 -0.348 0.000 1.036 105 V CA 1.253 63.200 62.300 -0.588 0.000 1.020 105 V CB -0.255 30.915 31.823 -1.087 0.000 0.657 105 V HN 0.045 nan 8.190 nan 0.000 0.453 106 V N -0.260 119.502 119.914 -0.254 0.000 2.255 106 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 106 V C 2.687 178.929 176.094 0.247 0.000 1.051 106 V CA 2.612 64.908 62.300 -0.008 0.000 1.018 106 V CB -0.832 30.958 31.823 -0.054 0.000 0.641 106 V HN 0.577 nan 8.190 nan 0.000 0.445 107 S N -0.061 115.791 115.700 0.254 0.000 2.356 107 S HA -0.254 4.216 4.470 -0.000 0.000 0.223 107 S C 1.943 176.797 174.600 0.423 0.000 1.032 107 S CA 2.220 60.676 58.200 0.427 0.000 1.005 107 S CB -0.531 62.914 63.200 0.408 0.000 0.867 107 S HN 0.706 nan 8.310 nan 0.000 0.449 108 N N -0.432 118.495 118.700 0.379 0.000 2.188 108 N HA -0.002 4.738 4.740 -0.000 0.000 0.184 108 N C 1.415 177.259 175.510 0.558 0.000 1.018 108 N CA 1.318 54.602 53.050 0.391 0.000 0.858 108 N CB -0.330 38.334 38.487 0.296 0.000 0.989 108 N HN 0.311 nan 8.380 nan 0.000 0.426 109 F N 0.778 120.923 119.950 0.324 0.000 2.146 109 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 109 F C 1.896 177.944 175.800 0.413 0.000 1.096 109 F CA 0.623 58.869 58.000 0.410 0.000 1.275 109 F CB -0.695 38.514 39.000 0.348 0.000 1.008 109 F HN 0.085 nan 8.300 nan 0.000 0.480 110 L N -0.377 121.201 121.223 0.593 0.000 2.201 110 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 110 L C 2.381 179.534 176.870 0.473 0.000 1.105 110 L CA 1.232 56.397 54.840 0.542 0.000 0.775 110 L CB -0.632 41.716 42.059 0.481 0.000 0.913 110 L HN 0.202 nan 8.230 nan 0.000 0.440 111 E N 0.260 120.721 120.200 0.435 0.000 2.085 111 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 111 E C 2.245 179.075 176.600 0.383 0.000 0.994 111 E CA 1.434 58.055 56.400 0.369 0.000 0.801 111 E CB 0.086 29.981 29.700 0.326 0.000 0.743 111 E HN 0.249 nan 8.360 nan 0.000 0.453 112 V N 0.276 120.440 119.914 0.417 0.000 2.667 112 V HA -0.059 4.061 4.120 -0.000 0.000 0.252 112 V C 2.075 178.405 176.094 0.394 0.000 1.065 112 V CA 1.866 64.410 62.300 0.408 0.000 1.083 112 V CB -0.224 31.874 31.823 0.458 0.000 0.692 112 V HN 0.491 nan 8.190 nan 0.000 0.468 113 G N -0.816 108.268 108.800 0.474 0.000 2.408 113 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 113 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 113 G C 1.433 176.558 174.900 0.374 0.000 1.150 113 G CA 0.651 46.049 45.100 0.497 0.000 0.776 113 G HN 0.507 nan 8.290 nan 0.000 0.542 114 E N 0.078 120.492 120.200 0.357 0.000 2.028 114 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 114 E C 2.055 178.784 176.600 0.215 0.000 0.988 114 E CA 0.797 57.359 56.400 0.270 0.000 0.799 114 E CB -0.614 29.257 29.700 0.285 0.000 0.755 114 E HN 0.552 nan 8.360 nan 0.000 0.447 115 Y N 2.206 122.601 120.300 0.158 0.000 2.114 115 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 115 Y C 1.949 177.913 175.900 0.108 0.000 1.165 115 Y CA 2.192 60.357 58.100 0.108 0.000 1.148 115 Y CB -0.254 38.277 38.460 0.117 0.000 0.972 115 Y HN 0.060 nan 8.280 nan 0.000 0.504 116 N N -0.130 118.699 118.700 0.215 0.000 2.309 116 N HA -0.112 4.628 4.740 -0.000 0.000 0.182 116 N C 1.760 177.334 175.510 0.106 0.000 1.018 116 N CA 1.047 54.191 53.050 0.158 0.000 0.876 116 N CB -0.387 38.250 38.487 0.251 0.000 0.972 116 N HN 0.481 nan 8.380 nan 0.000 0.434 117 A N 0.420 123.311 122.820 0.118 0.000 2.067 117 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 117 A C 1.996 179.480 177.584 -0.166 0.000 1.158 117 A CA 0.764 52.730 52.037 -0.117 0.000 0.661 117 A CB -0.572 18.343 19.000 -0.141 0.000 0.801 117 A HN 0.230 nan 8.150 nan 0.000 0.452 118 I N -0.257 120.208 120.570 -0.175 0.000 2.113 118 I HA -0.279 3.891 4.170 -0.000 0.000 0.238 118 I C 2.987 178.988 176.117 -0.194 0.000 1.070 118 I CA 1.253 62.425 61.300 -0.214 0.000 1.332 118 I CB -0.528 37.270 38.000 -0.337 0.000 1.044 118 I HN 0.329 nan 8.210 nan 0.000 0.402 119 A N 0.778 123.464 122.820 -0.225 0.000 1.902 119 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 119 A C 2.539 180.013 177.584 -0.184 0.000 1.181 119 A CA 1.864 53.796 52.037 -0.175 0.000 0.623 119 A CB -0.857 18.058 19.000 -0.143 0.000 0.818 119 A HN 0.455 nan 8.150 nan 0.000 0.443 120 A N -0.191 122.522 122.820 -0.179 0.000 1.902 120 A HA -0.112 4.207 4.320 -0.000 0.000 0.217 120 A C 2.417 179.823 177.584 -0.297 0.000 1.181 120 A CA 2.517 54.416 52.037 -0.230 0.000 0.623 120 A CB -1.372 17.489 19.000 -0.230 0.000 0.818 120 A HN 0.762 nan 8.150 nan 0.000 0.443 121 T N -2.964 111.427 114.554 -0.271 0.000 2.995 121 T HA 0.101 4.450 4.350 -0.000 0.000 0.269 121 T C 1.815 176.430 174.700 -0.142 0.000 1.091 121 T CA 1.291 63.217 62.100 -0.290 0.000 1.128 121 T CB -0.576 68.154 68.868 -0.230 0.000 0.891 121 T HN 0.391 nan 8.240 nan 0.000 0.492 122 G N 1.010 109.766 108.800 -0.073 0.000 2.422 122 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 122 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 122 G C 1.516 176.307 174.900 -0.183 0.000 1.140 122 G CA 0.714 45.836 45.100 0.035 0.000 0.775 122 G HN 0.501 nan 8.290 nan 0.000 0.545 123 M N -0.179 119.228 119.600 -0.322 0.000 2.200 123 M HA 0.162 4.642 4.480 -0.000 0.000 0.265 123 M C 2.348 178.425 176.300 -0.372 0.000 1.066 123 M CA 1.005 55.993 55.300 -0.520 0.000 1.127 123 M CB -0.079 32.125 32.600 -0.660 0.000 1.379 123 M HN 0.187 nan 8.290 nan 0.000 0.420 124 L N -0.954 120.034 121.223 -0.392 0.000 2.093 124 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 124 L C 2.338 179.104 176.870 -0.174 0.000 1.085 124 L CA 0.990 55.507 54.840 -0.538 0.000 0.755 124 L CB -0.902 40.391 42.059 -1.276 0.000 0.904 124 L HN 0.592 nan 8.230 nan 0.000 0.435 125 W N 1.628 122.811 121.300 -0.196 0.000 2.358 125 W HA -0.243 4.417 4.660 0.000 0.000 0.303 125 W C 2.133 178.685 176.519 0.055 0.000 1.208 125 W CA 1.598 58.996 57.345 0.088 0.000 1.274 125 W CB -0.634 28.841 29.460 0.024 0.000 1.138 125 W HN 0.226 nan 8.180 nan 0.000 0.515 126 D N -0.511 119.848 120.400 -0.069 0.000 2.144 126 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 126 D C 1.912 178.230 176.300 0.030 0.000 0.978 126 D CA 1.768 55.693 54.000 -0.125 0.000 0.833 126 D CB -0.002 40.740 40.800 -0.097 0.000 0.961 126 D HN 0.154 nan 8.370 nan 0.000 0.470 127 S N 0.441 116.168 115.700 0.044 0.000 2.355 127 S HA 0.019 4.489 4.470 -0.000 0.000 0.222 127 S C 1.170 175.834 174.600 0.106 0.000 1.031 127 S CA 0.617 58.855 58.200 0.064 0.000 0.993 127 S CB -0.220 62.992 63.200 0.021 0.000 0.859 127 S HN 0.473 nan 8.310 nan 0.000 0.453 128 A N 1.529 124.466 122.820 0.195 0.000 2.531 128 A HA 0.150 4.470 4.320 -0.000 0.000 0.236 128 A C 1.000 178.651 177.584 0.111 0.000 1.062 128 A CA 0.024 52.174 52.037 0.187 0.000 0.760 128 A CB 0.202 19.360 19.000 0.263 0.000 0.995 128 A HN 0.276 nan 8.150 nan 0.000 0.501 129 Q N 0.473 120.306 119.800 0.055 0.000 2.402 129 Q HA 0.211 4.551 4.340 -0.000 0.000 0.231 129 Q C 0.827 176.831 176.000 0.006 0.000 0.888 129 Q CA 0.942 56.752 55.803 0.011 0.000 0.938 129 Q CB -0.038 28.688 28.738 -0.020 0.000 1.086 129 Q HN 0.865 nan 8.270 nan 0.000 0.543 130 A N 0.863 123.687 122.820 0.006 0.000 2.409 130 A HA 0.513 4.833 4.320 -0.000 0.000 0.262 130 A C 1.261 178.838 177.584 -0.012 0.000 1.113 130 A CA 0.592 52.623 52.037 -0.010 0.000 0.790 130 A CB 0.527 19.510 19.000 -0.028 0.000 1.046 130 A HN 0.253 nan 8.150 nan 0.000 0.496 131 A N 1.996 124.810 122.820 -0.011 0.000 1.940 131 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 131 A C 1.781 179.305 177.584 -0.100 0.000 1.176 131 A CA 2.009 54.032 52.037 -0.024 0.000 0.631 131 A CB -0.463 18.530 19.000 -0.011 0.000 0.814 131 A HN 0.920 nan 8.150 nan 0.000 0.446 132 E N -1.140 118.985 120.200 -0.125 0.000 2.106 132 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 132 E C 2.241 178.762 176.600 -0.132 0.000 0.984 132 E CA 1.210 57.529 56.400 -0.134 0.000 0.806 132 E CB -0.107 29.533 29.700 -0.101 0.000 0.750 132 E HN 0.829 nan 8.360 nan 0.000 0.458 133 Q N 1.065 120.780 119.800 -0.142 0.000 2.167 133 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 133 Q C 1.760 177.579 176.000 -0.300 0.000 0.970 133 Q CA 1.179 56.828 55.803 -0.257 0.000 0.855 133 Q CB 0.210 28.838 28.738 -0.183 0.000 0.911 133 Q HN 0.046 nan 8.270 nan 0.000 0.438 134 K N 0.058 120.401 120.400 -0.095 0.000 2.097 134 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 134 K C 1.857 178.339 176.600 -0.197 0.000 1.050 134 K CA 1.313 57.604 56.287 0.007 0.000 0.938 134 K CB -0.073 32.491 32.500 0.107 0.000 0.718 134 K HN 0.164 nan 8.250 nan 0.000 0.442 135 N N 0.402 118.979 118.700 -0.204 0.000 2.188 135 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 135 N C 1.771 177.154 175.510 -0.211 0.000 1.018 135 N CA 1.403 54.318 53.050 -0.226 0.000 0.858 135 N CB -0.250 38.144 38.487 -0.155 0.000 0.989 135 N HN 0.210 nan 8.380 nan 0.000 0.426 136 G N -0.956 107.718 108.800 -0.211 0.000 2.421 136 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 136 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 136 G C 1.303 176.084 174.900 -0.198 0.000 1.171 136 G CA 0.747 45.724 45.100 -0.205 0.000 0.775 136 G HN 0.452 nan 8.290 nan 0.000 0.543 137 Y N -0.403 119.800 120.300 -0.161 0.000 2.242 137 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 137 Y C 2.647 178.380 175.900 -0.279 0.000 1.137 137 Y CA 0.286 58.278 58.100 -0.180 0.000 1.181 137 Y CB -0.093 38.332 38.460 -0.057 0.000 0.989 137 Y HN 0.214 nan 8.280 nan 0.000 0.527 138 L N 0.605 121.664 121.223 -0.273 0.000 2.042 138 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 138 L C 2.437 179.047 176.870 -0.432 0.000 1.076 138 L CA 1.991 56.519 54.840 -0.520 0.000 0.749 138 L CB -0.968 40.663 42.059 -0.714 0.000 0.893 138 L HN 0.131 nan 8.230 nan 0.000 0.432 139 A N -1.108 121.477 122.820 -0.392 0.000 1.908 139 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 139 A C 2.338 179.710 177.584 -0.353 0.000 1.181 139 A CA 1.952 53.706 52.037 -0.472 0.000 0.627 139 A CB -0.730 18.121 19.000 -0.249 0.000 0.818 139 A HN 0.678 nan 8.150 nan 0.000 0.445 140 Q N -0.365 119.250 119.800 -0.308 0.000 2.119 140 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 140 Q C 1.907 177.746 176.000 -0.268 0.000 0.972 140 Q CA 1.660 57.215 55.803 -0.413 0.000 0.847 140 Q CB -0.200 28.206 28.738 -0.554 0.000 0.903 140 Q HN 0.417 nan 8.270 nan 0.000 0.433 141 V N 0.950 120.735 119.914 -0.216 0.000 2.332 141 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 141 V C 2.301 178.305 176.094 -0.151 0.000 1.055 141 V CA 1.294 63.507 62.300 -0.146 0.000 1.038 141 V CB -0.505 31.279 31.823 -0.064 0.000 0.651 141 V HN 0.464 nan 8.190 nan 0.000 0.450 142 L N -0.323 120.773 121.223 -0.210 0.000 2.156 142 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 142 L C 2.266 179.114 176.870 -0.037 0.000 1.095 142 L CA 1.747 56.498 54.840 -0.147 0.000 0.770 142 L CB -1.204 40.650 42.059 -0.341 0.000 0.914 142 L HN 0.406 nan 8.230 nan 0.000 0.439 143 D N -0.082 120.274 120.400 -0.073 0.000 2.123 143 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 143 D C 2.001 177.992 176.300 -0.513 0.000 0.976 143 D CA 0.835 54.741 54.000 -0.157 0.000 0.831 143 D CB 0.188 40.996 40.800 0.015 0.000 0.974 143 D HN 0.252 nan 8.370 nan 0.000 0.469 144 E N 0.424 120.446 120.200 -0.296 0.000 2.268 144 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 144 E C 2.350 178.888 176.600 -0.103 0.000 0.995 144 E CA 0.169 56.451 56.400 -0.196 0.000 0.836 144 E CB 0.019 29.658 29.700 -0.102 0.000 0.763 144 E HN 0.448 nan 8.360 nan 0.000 0.491 145 I N 0.487 120.995 120.570 -0.104 0.000 2.333 145 I HA -0.172 3.998 4.170 -0.000 0.000 0.246 145 I C 2.740 178.834 176.117 -0.039 0.000 1.106 145 I CA 0.604 61.850 61.300 -0.091 0.000 1.411 145 I CB -0.196 37.779 38.000 -0.041 0.000 1.082 145 I HN 0.013 nan 8.210 nan 0.000 0.420 146 R N 0.785 121.312 120.500 0.045 0.000 2.083 146 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 146 R C 2.328 178.784 176.300 0.261 0.000 1.137 146 R CA 1.957 58.164 56.100 0.179 0.000 0.951 146 R CB -0.427 29.961 30.300 0.147 0.000 0.851 146 R HN 0.473 nan 8.270 nan 0.000 0.434 147 H N -1.214 117.909 119.070 0.088 0.000 2.387 147 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 147 H C 1.970 177.364 175.328 0.110 0.000 1.090 147 H CA 1.376 57.463 56.048 0.065 0.000 1.332 147 H CB 0.055 29.836 29.762 0.031 0.000 1.386 147 H HN 0.297 nan 8.280 nan 0.000 0.516 148 T N -0.239 114.444 114.554 0.215 0.000 2.674 148 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 148 T C 1.578 176.418 174.700 0.234 0.000 1.039 148 T CA 1.531 63.745 62.100 0.189 0.000 1.150 148 T CB -0.422 68.505 68.868 0.098 0.000 0.864 148 T HN 0.592 nan 8.240 nan 0.000 0.427 149 H N 0.434 119.653 119.070 0.247 0.000 2.456 149 H HA 0.004 4.560 4.556 -0.000 0.000 0.296 149 H C 2.641 178.144 175.328 0.293 0.000 1.079 149 H CA 0.841 57.035 56.048 0.243 0.000 1.322 149 H CB 0.142 30.026 29.762 0.203 0.000 1.388 149 H HN 0.398 nan 8.280 nan 0.000 0.538 150 Q N -0.453 119.576 119.800 0.382 0.000 2.062 150 Q HA -0.111 4.229 4.340 -0.000 0.000 0.196 150 Q C 2.456 178.681 176.000 0.376 0.000 0.967 150 Q CA 1.238 57.236 55.803 0.324 0.000 0.832 150 Q CB 0.115 28.963 28.738 0.183 0.000 0.899 150 Q HN 0.465 nan 8.270 nan 0.000 0.442 151 C N 0.206 119.707 119.300 0.335 0.000 2.425 151 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 151 C C 2.784 178.019 174.990 0.409 0.000 1.280 151 C CA 0.751 60.008 59.018 0.399 0.000 1.744 151 C CB -1.051 26.898 27.740 0.349 0.000 1.989 151 C HN 0.603 nan 8.230 nan 0.000 0.491 152 A N -1.147 121.901 122.820 0.381 0.000 1.972 152 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 152 A C 1.949 179.763 177.584 0.384 0.000 1.169 152 A CA 1.423 53.672 52.037 0.355 0.000 0.635 152 A CB -0.849 18.353 19.000 0.337 0.000 0.810 152 A HN 0.654 nan 8.150 nan 0.000 0.446 153 Y N 0.120 120.603 120.300 0.306 0.000 2.293 153 Y HA -0.119 4.431 4.550 0.000 0.000 0.291 153 Y C 2.395 178.515 175.900 0.367 0.000 1.137 153 Y CA 1.503 59.795 58.100 0.320 0.000 1.202 153 Y CB -0.017 38.636 38.460 0.323 0.000 0.990 153 Y HN 0.098 nan 8.280 nan 0.000 0.537 154 V N 0.332 120.512 119.914 0.444 0.000 2.295 154 V HA -0.357 3.763 4.120 -0.000 0.000 0.246 154 V C 1.743 178.038 176.094 0.335 0.000 1.049 154 V CA 2.430 64.944 62.300 0.357 0.000 1.024 154 V CB -0.748 31.334 31.823 0.431 0.000 0.648 154 V HN 0.458 nan 8.190 nan 0.000 0.447 155 N N -1.009 117.912 118.700 0.369 0.000 2.120 155 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 155 N C 1.919 177.553 175.510 0.207 0.000 1.024 155 N CA 1.586 54.843 53.050 0.346 0.000 0.852 155 N CB -0.327 38.390 38.487 0.384 0.000 1.003 155 N HN 0.607 nan 8.380 nan 0.000 0.424 156 Y N 0.359 120.688 120.300 0.048 0.000 2.165 156 Y HA -0.313 4.237 4.550 0.000 0.000 0.286 156 Y C 2.261 178.058 175.900 -0.172 0.000 1.155 156 Y CA 1.510 59.560 58.100 -0.084 0.000 1.164 156 Y CB -0.397 37.945 38.460 -0.196 0.000 0.978 156 Y HN 0.147 nan 8.280 nan 0.000 0.513 157 Y N -0.718 119.491 120.300 -0.152 0.000 2.184 157 Y HA -0.210 4.340 4.550 -0.000 0.000 0.290 157 Y C 1.961 177.689 175.900 -0.287 0.000 1.129 157 Y CA 1.865 59.811 58.100 -0.258 0.000 1.144 157 Y CB -0.821 37.498 38.460 -0.235 0.000 0.995 157 Y HN 0.151 nan 8.280 nan 0.000 0.513 158 F N -0.629 119.278 119.950 -0.071 0.000 2.365 158 F HA -0.131 4.396 4.527 0.000 0.000 0.300 158 F C 2.383 177.981 175.800 -0.335 0.000 1.090 158 F CA 0.590 58.417 58.000 -0.288 0.000 1.408 158 F CB -0.223 38.336 39.000 -0.735 0.000 1.060 158 F HN 0.172 nan 8.300 nan 0.000 0.534 159 A N -0.271 122.474 122.820 -0.125 0.000 1.930 159 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 159 A C 2.144 179.624 177.584 -0.174 0.000 1.176 159 A CA 1.230 53.227 52.037 -0.066 0.000 0.632 159 A CB -0.435 18.540 19.000 -0.042 0.000 0.819 159 A HN 0.283 nan 8.150 nan 0.000 0.445 160 K N -0.376 119.816 120.400 -0.347 0.000 2.062 160 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 160 K C 0.822 177.237 176.600 -0.309 0.000 1.051 160 K CA 1.708 57.764 56.287 -0.385 0.000 0.941 160 K CB -0.097 32.068 32.500 -0.559 0.000 0.719 160 K HN 0.571 nan 8.250 nan 0.000 0.440 161 N N -0.680 117.796 118.700 -0.373 0.000 2.184 161 N HA 0.115 4.855 4.740 -0.000 0.000 0.206 161 N C 0.115 175.587 175.510 -0.063 0.000 1.151 161 N CA -0.175 52.715 53.050 -0.268 0.000 0.878 161 N CB 1.354 39.555 38.487 -0.476 0.000 1.014 161 N HN 0.102 nan 8.380 nan 0.000 0.512 162 G N 0.741 109.555 108.800 0.024 0.000 2.588 162 G HA2 0.054 4.014 3.960 -0.000 0.000 0.281 162 G HA3 0.054 4.014 3.960 -0.000 0.000 0.281 162 G C 0.669 175.634 174.900 0.108 0.000 1.236 162 G CA -0.351 44.848 45.100 0.166 0.000 0.969 162 G HN 0.260 nan 8.290 nan 0.000 0.504 163 Q N -1.600 118.273 119.800 0.122 0.000 2.432 163 Q HA 0.082 4.422 4.340 -0.000 0.000 0.205 163 Q C -0.411 175.632 176.000 0.073 0.000 0.945 163 Q CA 0.938 56.789 55.803 0.080 0.000 0.924 163 Q CB 0.427 29.206 28.738 0.068 0.000 1.016 163 Q HN 0.345 nan 8.270 nan 0.000 0.503 164 D N -0.047 120.416 120.400 0.104 0.000 2.351 164 D HA 0.219 4.859 4.640 -0.000 0.000 0.235 164 D C -2.429 173.970 176.300 0.164 0.000 1.331 164 D CA -1.799 52.258 54.000 0.096 0.000 0.959 164 D CB 1.667 42.502 40.800 0.058 0.000 1.432 164 D HN -0.211 nan 8.370 nan 0.000 0.544 165 P HA 0.048 nan 4.420 nan 0.000 0.217 165 P C 0.167 177.558 177.300 0.151 0.000 1.150 165 P CA 0.507 63.700 63.100 0.156 0.000 0.832 165 P CB 0.130 31.867 31.700 0.061 0.000 0.787 166 A N -0.421 122.453 122.820 0.091 0.000 2.567 166 A HA 0.382 4.702 4.320 -0.000 0.000 0.240 166 A C 1.666 179.298 177.584 0.080 0.000 1.053 166 A CA 0.897 52.978 52.037 0.072 0.000 0.755 166 A CB -1.226 17.802 19.000 0.047 0.000 0.978 166 A HN 0.417 nan 8.150 nan 0.000 0.507 167 G N 1.716 110.588 108.800 0.119 0.000 2.729 167 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 167 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 167 G C 0.980 175.999 174.900 0.198 0.000 1.252 167 G CA 0.958 46.198 45.100 0.232 0.000 0.751 167 G HN 0.921 nan 8.290 nan 0.000 0.527 168 H N 1.677 120.849 119.070 0.169 0.000 2.395 168 H HA -0.014 4.542 4.556 0.000 0.000 0.299 168 H C 2.587 177.979 175.328 0.105 0.000 1.070 168 H CA 1.720 57.859 56.048 0.152 0.000 1.356 168 H CB 0.104 29.951 29.762 0.142 0.000 1.401 168 H HN 0.601 nan 8.280 nan 0.000 0.524 169 N N 0.529 119.343 118.700 0.191 0.000 2.463 169 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 169 N C -0.065 175.476 175.510 0.051 0.000 1.078 169 N CA 1.351 54.458 53.050 0.096 0.000 0.902 169 N CB 0.235 38.752 38.487 0.050 0.000 0.970 169 N HN 0.508 nan 8.380 nan 0.000 0.451 170 D N -2.709 117.709 120.400 0.030 0.000 2.672 170 D HA 0.335 4.975 4.640 -0.000 0.000 0.287 170 D C 1.025 177.241 176.300 -0.139 0.000 1.559 170 D CA -0.073 53.902 54.000 -0.041 0.000 0.796 170 D CB -0.327 40.447 40.800 -0.044 0.000 1.181 170 D HN 0.131 nan 8.370 nan 0.000 0.458 171 A N 1.234 123.953 122.820 -0.169 0.000 1.997 171 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 171 A C 2.098 179.360 177.584 -0.536 0.000 1.172 171 A CA 1.379 53.110 52.037 -0.509 0.000 0.645 171 A CB -0.585 18.195 19.000 -0.366 0.000 0.813 171 A HN 0.230 nan 8.150 nan 0.000 0.454 172 R N -0.859 119.459 120.500 -0.303 0.000 2.249 172 R HA -0.153 4.187 4.340 -0.000 0.000 0.230 172 R C 2.216 178.337 176.300 -0.299 0.000 1.121 172 R CA 1.615 57.539 56.100 -0.292 0.000 0.997 172 R CB -0.184 30.027 30.300 -0.148 0.000 0.867 172 R HN 0.837 nan 8.270 nan 0.000 0.465 173 R N -1.038 119.304 120.500 -0.265 0.000 2.310 173 R HA 0.064 4.404 4.340 -0.000 0.000 0.199 173 R C 1.676 177.849 176.300 -0.211 0.000 0.891 173 R CA 0.881 56.865 56.100 -0.193 0.000 1.060 173 R CB -0.297 29.936 30.300 -0.112 0.000 1.188 173 R HN 0.045 nan 8.270 nan 0.000 0.607 174 T N -0.188 114.207 114.554 -0.264 0.000 3.055 174 T HA -0.012 4.338 4.350 -0.000 0.000 0.265 174 T C 1.869 176.368 174.700 -0.335 0.000 1.111 174 T CA 0.536 62.509 62.100 -0.213 0.000 1.118 174 T CB -0.121 68.682 68.868 -0.109 0.000 0.909 174 T HN 0.322 nan 8.240 nan 0.000 0.501 175 R N 2.064 122.144 120.500 -0.700 0.000 2.237 175 R HA -0.072 4.268 4.340 -0.000 0.000 0.219 175 R C 2.019 178.075 176.300 -0.407 0.000 1.080 175 R CA 1.743 57.388 56.100 -0.759 0.000 0.995 175 R CB -1.467 28.075 30.300 -1.264 0.000 0.875 175 R HN 0.563 nan 8.270 nan 0.000 0.462 176 T N -1.501 112.865 114.554 -0.314 0.000 3.118 176 T HA 0.096 4.446 4.350 -0.000 0.000 0.260 176 T C 1.952 176.718 174.700 0.109 0.000 1.139 176 T CA 0.447 62.539 62.100 -0.015 0.000 1.085 176 T CB -0.251 68.621 68.868 0.006 0.000 0.934 176 T HN 0.250 nan 8.240 nan 0.000 0.518 177 I N 1.245 121.861 120.570 0.077 0.000 2.333 177 I HA 0.209 4.379 4.170 -0.000 0.000 0.246 177 I C 1.911 178.133 176.117 0.174 0.000 1.106 177 I CA 0.411 61.779 61.300 0.114 0.000 1.411 177 I CB -0.680 37.334 38.000 0.024 0.000 1.082 177 I HN 0.363 nan 8.210 nan 0.000 0.420 178 G N 0.954 109.864 108.800 0.183 0.000 2.476 178 G HA2 0.265 4.225 3.960 -0.000 0.000 0.286 178 G HA3 0.265 4.225 3.960 -0.000 0.000 0.286 178 G C -1.738 173.269 174.900 0.177 0.000 1.177 178 G CA -0.807 44.401 45.100 0.180 0.000 0.870 178 G HN 0.034 nan 8.290 nan 0.000 0.528 179 P HA -0.047 nan 4.420 nan 0.000 0.222 179 P C 1.922 179.296 177.300 0.123 0.000 1.153 179 P CA 0.551 63.652 63.100 0.002 0.000 0.798 179 P CB 0.299 31.927 31.700 -0.119 0.000 0.796 180 L N -1.370 120.010 121.223 0.262 0.000 2.127 180 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 180 L C 2.785 179.920 176.870 0.441 0.000 1.089 180 L CA 1.530 56.600 54.840 0.383 0.000 0.757 180 L CB -1.119 41.210 42.059 0.450 0.000 0.899 180 L HN 0.128 nan 8.230 nan 0.000 0.434 181 W N 1.766 123.180 121.300 0.190 0.000 2.363 181 W HA -0.198 4.462 4.660 -0.000 0.000 0.296 181 W C 2.144 178.468 176.519 -0.325 0.000 1.212 181 W CA 0.931 58.153 57.345 -0.204 0.000 1.260 181 W CB 0.063 29.498 29.460 -0.041 0.000 1.131 181 W HN 0.069 nan 8.180 nan 0.000 0.530 182 K N 0.389 120.577 120.400 -0.353 0.000 2.063 182 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 182 K C 2.250 178.486 176.600 -0.606 0.000 1.048 182 K CA 1.733 57.714 56.287 -0.510 0.000 0.928 182 K CB -1.352 30.988 32.500 -0.266 0.000 0.713 182 K HN 0.325 nan 8.250 nan 0.000 0.442 183 G N 0.909 109.381 108.800 -0.547 0.000 2.471 183 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 183 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 183 G C 1.529 175.475 174.900 -1.591 0.000 1.125 183 G CA 0.562 45.139 45.100 -0.872 0.000 0.775 183 G HN 0.172 nan 8.290 nan 0.000 0.548 184 M N 0.694 119.435 119.600 -1.431 0.000 2.200 184 M HA 0.163 4.643 4.480 -0.000 0.000 0.265 184 M C 2.262 177.987 176.300 -0.957 0.000 1.066 184 M CA 1.304 55.853 55.300 -1.252 0.000 1.127 184 M CB -0.220 31.770 32.600 -1.017 0.000 1.379 184 M HN 0.074 nan 8.290 nan 0.000 0.420 185 K N -0.968 118.806 120.400 -1.044 0.000 2.283 185 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 185 K C 2.128 178.429 176.600 -0.499 0.000 1.048 185 K CA 0.481 56.309 56.287 -0.764 0.000 0.948 185 K CB -0.130 31.881 32.500 -0.815 0.000 0.742 185 K HN 0.209 nan 8.250 nan 0.000 0.458 186 R N 1.374 121.559 120.500 -0.524 0.000 2.062 186 R HA -0.075 4.265 4.340 -0.000 0.000 0.226 186 R C 2.162 178.302 176.300 -0.267 0.000 1.125 186 R CA 1.583 57.488 56.100 -0.326 0.000 0.966 186 R CB -0.407 29.718 30.300 -0.293 0.000 0.861 186 R HN 0.183 nan 8.270 nan 0.000 0.433 187 V N -2.460 117.227 119.914 -0.379 0.000 2.535 187 V HA 0.064 4.184 4.120 -0.000 0.000 0.246 187 V C 1.468 177.461 176.094 -0.169 0.000 1.045 187 V CA 1.096 63.298 62.300 -0.164 0.000 1.058 187 V CB -0.525 31.181 31.823 -0.195 0.000 0.689 187 V HN -0.007 nan 8.190 nan 0.000 0.461 188 F N 0.096 119.579 119.950 -0.779 0.000 2.683 188 F HA 0.580 5.107 4.527 0.000 0.000 0.306 188 F C 1.582 176.869 175.800 -0.857 0.000 1.102 188 F CA -0.267 56.982 58.000 -1.252 0.000 1.244 188 F CB 0.428 39.172 39.000 -0.427 0.000 1.029 188 F HN 0.145 nan 8.300 nan 0.000 0.545 189 S N -0.942 114.507 115.700 -0.419 0.000 4.207 189 S HA 0.030 4.500 4.470 -0.000 0.000 0.177 189 S C 1.289 175.847 174.600 -0.070 0.000 0.981 189 S CA 0.007 58.114 58.200 -0.155 0.000 1.097 189 S CB 0.174 63.268 63.200 -0.176 0.000 1.525 189 S HN 0.073 nan 8.310 nan 0.000 0.686 190 D N 1.872 122.204 120.400 -0.113 0.000 2.144 190 D HA 0.010 4.650 4.640 -0.000 0.000 0.200 190 D C 1.851 178.151 176.300 0.001 0.000 0.978 190 D CA 1.242 55.209 54.000 -0.055 0.000 0.833 190 D CB -0.632 40.117 40.800 -0.085 0.000 0.961 190 D HN 0.488 nan 8.370 nan 0.000 0.470 191 G N -0.402 108.393 108.800 -0.010 0.000 2.509 191 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 191 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 191 G C 1.442 176.505 174.900 0.272 0.000 1.124 191 G CA -0.018 45.143 45.100 0.102 0.000 0.776 191 G HN 0.270 nan 8.290 nan 0.000 0.547 192 F N 0.168 120.118 119.950 -0.001 0.000 2.317 192 F HA 0.176 4.703 4.527 0.000 0.000 0.293 192 F C 2.382 178.133 175.800 -0.081 0.000 1.085 192 F CA 0.511 58.483 58.000 -0.046 0.000 1.390 192 F CB 0.240 39.196 39.000 -0.074 0.000 1.077 192 F HN 0.183 nan 8.300 nan 0.000 0.517 193 I N -4.372 116.271 120.570 0.122 0.000 4.323 193 I HA 0.226 4.396 4.170 -0.000 0.000 0.328 193 I C 0.109 176.213 176.117 -0.022 0.000 1.310 193 I CA 0.057 61.356 61.300 -0.002 0.000 1.186 193 I CB 0.128 38.121 38.000 -0.013 0.000 1.130 193 I HN -0.262 nan 8.210 nan 0.000 0.411 194 S N 2.502 118.204 115.700 0.003 0.000 2.399 194 S HA 0.730 5.200 4.470 -0.000 0.000 0.301 194 S C 0.278 174.871 174.600 -0.012 0.000 1.093 194 S CA 0.186 58.377 58.200 -0.015 0.000 1.077 194 S CB 0.634 63.812 63.200 -0.037 0.000 0.980 194 S HN 0.816 nan 8.310 nan 0.000 0.494 195 G N 2.556 111.349 108.800 -0.011 0.000 2.331 195 G HA2 0.025 3.985 3.960 -0.000 0.000 0.402 195 G HA3 0.025 3.985 3.960 -0.000 0.000 0.402 195 G C -1.390 173.513 174.900 0.005 0.000 1.275 195 G CA -1.112 43.988 45.100 -0.001 0.000 1.003 195 G HN 0.536 nan 8.290 nan 0.000 0.500 196 D N 0.643 121.055 120.400 0.020 0.000 2.533 196 D HA 0.410 5.050 4.640 -0.000 0.000 0.236 196 D C 1.729 178.020 176.300 -0.015 0.000 1.137 196 D CA 1.042 55.060 54.000 0.029 0.000 0.867 196 D CB 1.259 42.103 40.800 0.074 0.000 1.170 196 D HN 1.099 nan 8.370 nan 0.000 0.474 197 A N 3.636 126.431 122.820 -0.040 0.000 1.948 197 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 197 A C 2.327 179.829 177.584 -0.137 0.000 1.177 197 A CA 1.637 53.603 52.037 -0.117 0.000 0.636 197 A CB -0.445 18.481 19.000 -0.124 0.000 0.815 197 A HN 0.532 nan 8.150 nan 0.000 0.449 198 V N -0.336 119.482 119.914 -0.159 0.000 2.548 198 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 198 V C 2.418 178.407 176.094 -0.176 0.000 1.055 198 V CA 2.009 64.130 62.300 -0.299 0.000 1.065 198 V CB -0.544 30.773 31.823 -0.844 0.000 0.681 198 V HN 0.729 nan 8.190 nan 0.000 0.462 199 E N -0.540 119.620 120.200 -0.067 0.000 2.072 199 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 199 E C 2.208 178.834 176.600 0.043 0.000 0.982 199 E CA 1.664 58.082 56.400 0.030 0.000 0.803 199 E CB -0.036 29.707 29.700 0.073 0.000 0.755 199 E HN 0.661 nan 8.360 nan 0.000 0.453 200 C N 0.046 119.346 119.300 -0.001 0.000 2.450 200 C HA -0.027 4.433 4.460 -0.000 0.000 0.279 200 C C 3.021 177.972 174.990 -0.065 0.000 1.335 200 C CA 0.886 59.904 59.018 -0.000 0.000 1.749 200 C CB -0.883 26.823 27.740 -0.056 0.000 1.963 200 C HN 0.472 nan 8.230 nan 0.000 0.501 201 S N 0.708 116.346 115.700 -0.105 0.000 2.368 201 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 201 S C 1.728 176.308 174.600 -0.033 0.000 1.030 201 S CA 1.390 59.517 58.200 -0.121 0.000 0.999 201 S CB -0.250 62.880 63.200 -0.118 0.000 0.844 201 S HN 0.636 nan 8.310 nan 0.000 0.459 202 L N 1.269 122.511 121.223 0.032 0.000 2.109 202 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 202 L C 2.590 179.567 176.870 0.179 0.000 1.086 202 L CA 0.927 55.844 54.840 0.129 0.000 0.760 202 L CB -0.726 41.425 42.059 0.154 0.000 0.910 202 L HN 0.302 nan 8.230 nan 0.000 0.437 203 N N 0.305 119.116 118.700 0.185 0.000 2.223 203 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 203 N C 1.758 177.474 175.510 0.342 0.000 1.016 203 N CA 1.317 54.559 53.050 0.319 0.000 0.863 203 N CB 0.041 38.758 38.487 0.384 0.000 0.983 203 N HN 0.214 nan 8.380 nan 0.000 0.429 204 L N 0.862 122.040 121.223 -0.076 0.000 2.121 204 L HA 0.029 4.369 4.340 -0.000 0.000 0.200 204 L C 2.040 178.766 176.870 -0.240 0.000 1.077 204 L CA 1.407 55.875 54.840 -0.620 0.000 0.766 204 L CB -0.441 40.966 42.059 -1.087 0.000 0.931 204 L HN 0.006 nan 8.230 nan 0.000 0.452 205 Q N -0.982 118.757 119.800 -0.102 0.000 2.159 205 Q HA 0.000 4.340 4.340 -0.000 0.000 0.194 205 Q C 2.067 178.167 176.000 0.167 0.000 0.968 205 Q CA 0.960 56.784 55.803 0.036 0.000 0.837 205 Q CB -0.250 28.525 28.738 0.062 0.000 0.920 205 Q HN 0.331 nan 8.270 nan 0.000 0.485 206 L N 0.239 121.597 121.223 0.225 0.000 2.353 206 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 206 L C 1.428 178.564 176.870 0.445 0.000 1.133 206 L CA 1.200 56.261 54.840 0.368 0.000 0.798 206 L CB 0.252 42.513 42.059 0.336 0.000 0.922 206 L HN 0.041 nan 8.230 nan 0.000 0.445 207 V N -3.097 116.993 119.914 0.294 0.000 3.279 207 V HA 0.258 4.378 4.120 -0.000 0.000 0.213 207 V C 2.171 178.337 176.094 0.121 0.000 1.335 207 V CA 0.655 63.062 62.300 0.179 0.000 1.317 207 V CB -0.597 31.385 31.823 0.265 0.000 1.209 207 V HN 0.229 nan 8.190 nan 0.000 0.525 208 G N 0.574 109.533 108.800 0.265 0.000 2.513 208 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 208 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 208 G C 1.291 176.330 174.900 0.231 0.000 1.160 208 G CA 1.735 47.067 45.100 0.387 0.000 0.767 208 G HN 0.618 nan 8.290 nan 0.000 0.571 209 E N 0.155 120.404 120.200 0.080 0.000 2.057 209 E HA 0.273 4.623 4.350 -0.000 0.000 0.191 209 E C 2.909 179.436 176.600 -0.123 0.000 0.959 209 E CA 0.344 56.746 56.400 0.003 0.000 0.828 209 E CB -0.242 29.464 29.700 0.009 0.000 0.800 209 E HN 0.297 nan 8.360 nan 0.000 0.460 210 A N 0.689 123.437 122.820 -0.121 0.000 2.032 210 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 210 A C 2.238 179.483 177.584 -0.565 0.000 1.165 210 A CA 1.586 53.401 52.037 -0.369 0.000 0.645 210 A CB -0.789 18.131 19.000 -0.134 0.000 0.807 210 A HN 0.452 nan 8.150 nan 0.000 0.453 211 C N -3.649 115.310 119.300 -0.568 0.000 2.563 211 C HA 0.491 4.951 4.460 -0.000 0.000 0.346 211 C C 2.000 176.492 174.990 -0.830 0.000 1.334 211 C CA 0.574 59.019 59.018 -0.955 0.000 1.938 211 C CB -0.560 26.206 27.740 -1.624 0.000 2.445 211 C HN 0.509 nan 8.230 nan 0.000 0.541 212 F N 0.353 120.135 119.950 -0.281 0.000 2.539 212 F HA 0.188 4.715 4.527 -0.000 0.000 0.277 212 F C 2.530 178.178 175.800 -0.254 0.000 0.925 212 F CA 1.405 59.293 58.000 -0.187 0.000 1.193 212 F CB -1.239 37.678 39.000 -0.139 0.000 1.128 212 F HN -0.118 nan 8.300 nan 0.000 0.740 213 T N 1.010 115.611 114.554 0.078 0.000 2.536 213 T HA -0.258 4.092 4.350 -0.000 0.000 0.263 213 T C 1.634 176.304 174.700 -0.050 0.000 1.115 213 T CA 2.368 64.509 62.100 0.068 0.000 1.180 213 T CB -0.662 68.282 68.868 0.127 0.000 0.864 213 T HN 0.101 nan 8.240 nan 0.000 0.419 214 N N 1.461 120.081 118.700 -0.134 0.000 2.061 214 N HA -0.071 4.669 4.740 -0.000 0.000 0.193 214 N C -0.964 174.404 175.510 -0.236 0.000 1.030 214 N CA 1.499 54.450 53.050 -0.165 0.000 0.856 214 N CB -1.173 37.203 38.487 -0.184 0.000 1.023 214 N HN 0.389 nan 8.380 nan 0.000 0.424 215 P HA -0.018 nan 4.420 nan 0.000 0.222 215 P C 1.400 178.405 177.300 -0.493 0.000 1.153 215 P CA 0.432 63.089 63.100 -0.738 0.000 0.798 215 P CB 0.148 30.832 31.700 -1.694 0.000 0.796 216 L N -0.679 120.337 121.223 -0.344 0.000 2.044 216 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 216 L C 1.980 179.095 176.870 0.407 0.000 1.075 216 L CA 1.861 56.888 54.840 0.312 0.000 0.747 216 L CB -1.210 41.054 42.059 0.343 0.000 0.903 216 L HN -0.179 nan 8.230 nan 0.000 0.435 217 I N -0.590 120.132 120.570 0.254 0.000 2.151 217 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 217 I C 2.604 178.922 176.117 0.335 0.000 1.080 217 I CA 1.497 62.998 61.300 0.334 0.000 1.339 217 I CB -1.474 36.605 38.000 0.133 0.000 1.039 217 I HN 0.139 nan 8.210 nan 0.000 0.409 218 V N 1.366 121.405 119.914 0.208 0.000 2.255 218 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 218 V C 2.864 179.110 176.094 0.253 0.000 1.051 218 V CA 1.982 64.392 62.300 0.184 0.000 1.018 218 V CB -1.214 30.676 31.823 0.112 0.000 0.641 218 V HN 0.489 nan 8.190 nan 0.000 0.445 219 A N -0.239 122.811 122.820 0.383 0.000 1.908 219 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 219 A C 2.399 180.194 177.584 0.351 0.000 1.181 219 A CA 2.262 54.585 52.037 0.476 0.000 0.627 219 A CB -0.814 18.706 19.000 0.867 0.000 0.818 219 A HN 0.345 nan 8.150 nan 0.000 0.445 220 V N 0.731 120.890 119.914 0.409 0.000 2.332 220 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 220 V C 3.032 179.268 176.094 0.237 0.000 1.055 220 V CA 2.567 65.081 62.300 0.357 0.000 1.038 220 V CB -1.563 30.541 31.823 0.469 0.000 0.651 220 V HN 0.877 nan 8.190 nan 0.000 0.450 221 T N -1.903 112.769 114.554 0.197 0.000 2.833 221 T HA -0.246 4.104 4.350 -0.000 0.000 0.269 221 T C 1.690 176.397 174.700 0.012 0.000 1.054 221 T CA 1.783 63.945 62.100 0.103 0.000 1.135 221 T CB -0.220 68.718 68.868 0.117 0.000 0.869 221 T HN 0.458 nan 8.240 nan 0.000 0.466 222 E N 0.357 120.559 120.200 0.003 0.000 2.028 222 E HA 0.024 4.374 4.350 -0.000 0.000 0.190 222 E C 1.697 178.117 176.600 -0.300 0.000 0.984 222 E CA 1.159 57.476 56.400 -0.139 0.000 0.800 222 E CB -0.526 29.089 29.700 -0.141 0.000 0.758 222 E HN 0.713 nan 8.360 nan 0.000 0.448 223 W N 0.670 121.727 121.300 -0.404 0.000 2.350 223 W HA -0.098 4.562 4.660 -0.000 0.000 0.289 223 W C 2.318 178.196 176.519 -1.067 0.000 1.215 223 W CA 1.345 58.276 57.345 -0.688 0.000 1.236 223 W CB -0.523 28.458 29.460 -0.798 0.000 1.130 223 W HN 0.180 nan 8.180 nan 0.000 0.541 224 A N 0.279 122.766 122.820 -0.555 0.000 1.873 224 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 224 A C 2.109 179.444 177.584 -0.416 0.000 1.186 224 A CA 2.331 54.011 52.037 -0.595 0.000 0.616 224 A CB -1.345 17.720 19.000 0.107 0.000 0.823 224 A HN 0.163 nan 8.150 nan 0.000 0.442 225 A N -0.062 122.610 122.820 -0.247 0.000 1.908 225 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 225 A C 2.460 179.901 177.584 -0.239 0.000 1.181 225 A CA 2.168 54.093 52.037 -0.186 0.000 0.627 225 A CB -1.015 17.897 19.000 -0.147 0.000 0.818 225 A HN 1.136 nan 8.150 nan 0.000 0.445 226 A N -0.371 122.254 122.820 -0.325 0.000 2.070 226 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 226 A C 1.416 178.897 177.584 -0.172 0.000 1.159 226 A CA 1.648 53.498 52.037 -0.312 0.000 0.656 226 A CB -0.518 18.252 19.000 -0.385 0.000 0.800 226 A HN 0.610 nan 8.150 nan 0.000 0.453 227 N N -1.383 117.161 118.700 -0.260 0.000 2.273 227 N HA 0.377 5.117 4.740 -0.000 0.000 0.231 227 N C 0.799 176.322 175.510 0.020 0.000 1.134 227 N CA 0.775 53.780 53.050 -0.075 0.000 0.856 227 N CB 0.756 39.059 38.487 -0.307 0.000 1.068 227 N HN 0.475 nan 8.380 nan 0.000 0.510 228 G N 0.529 109.322 108.800 -0.012 0.000 2.179 228 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 228 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 228 G C -0.278 174.685 174.900 0.105 0.000 0.977 228 G CA 0.100 45.234 45.100 0.057 0.000 0.641 228 G HN 0.452 nan 8.290 nan 0.000 0.533 229 D N 0.541 120.995 120.400 0.090 0.000 2.380 229 D HA 0.491 5.131 4.640 -0.000 0.000 0.230 229 D C 1.148 177.537 176.300 0.148 0.000 1.154 229 D CA -0.460 53.692 54.000 0.252 0.000 0.859 229 D CB 0.617 41.691 40.800 0.457 0.000 1.045 229 D HN 0.145 nan 8.370 nan 0.000 0.495 230 E N 3.645 123.919 120.200 0.123 0.000 2.476 230 E HA 0.045 4.395 4.350 -0.000 0.000 0.199 230 E C 1.608 178.210 176.600 0.003 0.000 1.021 230 E CA -0.052 56.373 56.400 0.042 0.000 0.907 230 E CB 0.488 30.198 29.700 0.016 0.000 0.974 230 E HN 0.560 nan 8.360 nan 0.000 0.489 231 I N 0.891 121.462 120.570 0.002 0.000 2.193 231 I HA -0.155 4.015 4.170 -0.000 0.000 0.240 231 I C 2.043 178.138 176.117 -0.037 0.000 1.084 231 I CA 1.244 62.445 61.300 -0.165 0.000 1.365 231 I CB -1.508 36.214 38.000 -0.463 0.000 1.064 231 I HN -0.000 nan 8.210 nan 0.000 0.410 232 T N 1.946 116.558 114.554 0.096 0.000 2.746 232 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 232 T C -0.328 174.391 174.700 0.031 0.000 1.039 232 T CA 1.478 63.591 62.100 0.021 0.000 1.142 232 T CB -1.287 67.576 68.868 -0.009 0.000 0.866 232 T HN 0.216 nan 8.240 nan 0.000 0.444 233 P HA -0.037 nan 4.420 nan 0.000 0.216 233 P C 1.655 178.995 177.300 0.066 0.000 1.153 233 P CA 1.166 64.307 63.100 0.068 0.000 0.848 233 P CB -0.277 31.441 31.700 0.031 0.000 0.787 234 T N -0.873 113.692 114.554 0.019 0.000 2.720 234 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 234 T C 1.754 176.446 174.700 -0.014 0.000 1.037 234 T CA 1.434 63.520 62.100 -0.024 0.000 1.144 234 T CB -0.877 67.942 68.868 -0.081 0.000 0.864 234 T HN -0.092 nan 8.240 nan 0.000 0.444 235 V N 0.142 120.093 119.914 0.062 0.000 2.331 235 V HA 0.029 4.149 4.120 -0.000 0.000 0.242 235 V C 2.092 178.314 176.094 0.214 0.000 1.034 235 V CA 1.148 63.513 62.300 0.110 0.000 1.027 235 V CB -0.667 31.293 31.823 0.229 0.000 0.667 235 V HN 0.306 nan 8.190 nan 0.000 0.457 236 F N 0.350 120.309 119.950 0.015 0.000 2.216 236 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 236 F C 2.124 177.913 175.800 -0.018 0.000 1.085 236 F CA 1.035 59.046 58.000 0.018 0.000 1.326 236 F CB -0.919 38.136 39.000 0.091 0.000 1.027 236 F HN 0.051 nan 8.300 nan 0.000 0.497 237 L N -1.470 119.852 121.223 0.164 0.000 2.131 237 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 237 L C 2.603 179.472 176.870 -0.003 0.000 1.092 237 L CA 1.357 56.236 54.840 0.065 0.000 0.759 237 L CB -0.728 41.357 42.059 0.044 0.000 0.903 237 L HN 0.106 nan 8.230 nan 0.000 0.435 238 S N 0.013 115.700 115.700 -0.021 0.000 2.387 238 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 238 S C 1.946 176.487 174.600 -0.098 0.000 1.026 238 S CA 0.765 58.926 58.200 -0.064 0.000 0.972 238 S CB -0.104 63.042 63.200 -0.089 0.000 0.814 238 S HN 0.306 nan 8.310 nan 0.000 0.477 239 I N 1.309 121.778 120.570 -0.168 0.000 2.315 239 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 239 I C 2.574 178.509 176.117 -0.304 0.000 1.117 239 I CA 1.476 62.547 61.300 -0.381 0.000 1.404 239 I CB -0.400 37.213 38.000 -0.645 0.000 1.071 239 I HN 0.476 nan 8.210 nan 0.000 0.419 240 E N 1.167 121.260 120.200 -0.179 0.000 2.085 240 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 240 E C 2.142 178.676 176.600 -0.111 0.000 0.994 240 E CA 2.308 58.633 56.400 -0.126 0.000 0.801 240 E CB -0.053 29.616 29.700 -0.051 0.000 0.743 240 E HN 0.558 nan 8.360 nan 0.000 0.453 241 T N -1.063 113.439 114.554 -0.087 0.000 2.759 241 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 241 T C 1.387 176.028 174.700 -0.099 0.000 1.042 241 T CA 1.593 63.648 62.100 -0.074 0.000 1.140 241 T CB -0.380 68.451 68.868 -0.061 0.000 0.864 241 T HN 0.105 nan 8.240 nan 0.000 0.455 242 D N 1.192 121.534 120.400 -0.096 0.000 2.091 242 D HA -0.034 4.606 4.640 -0.000 0.000 0.199 242 D C 2.370 178.479 176.300 -0.318 0.000 0.980 242 D CA 0.944 54.882 54.000 -0.104 0.000 0.831 242 D CB -0.361 40.509 40.800 0.117 0.000 0.987 242 D HN 0.376 nan 8.370 nan 0.000 0.460 243 E N 0.483 120.462 120.200 -0.367 0.000 2.331 243 E HA -0.141 4.209 4.350 -0.000 0.000 0.199 243 E C 2.388 178.864 176.600 -0.207 0.000 1.008 243 E CA 0.272 56.393 56.400 -0.464 0.000 0.843 243 E CB -0.597 28.948 29.700 -0.259 0.000 0.761 243 E HN 0.378 nan 8.360 nan 0.000 0.507 244 L N 0.680 121.823 121.223 -0.134 0.000 2.046 244 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 244 L C 2.573 179.445 176.870 0.004 0.000 1.077 244 L CA 2.221 57.040 54.840 -0.034 0.000 0.747 244 L CB -1.281 40.762 42.059 -0.026 0.000 0.896 244 L HN 0.094 nan 8.230 nan 0.000 0.432 245 R N -1.466 118.972 120.500 -0.104 0.000 2.075 245 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 245 R C 2.173 178.559 176.300 0.143 0.000 1.126 245 R CA 1.482 57.478 56.100 -0.174 0.000 0.963 245 R CB -0.620 29.368 30.300 -0.521 0.000 0.858 245 R HN 0.839 nan 8.270 nan 0.000 0.435 246 H N -0.219 118.836 119.070 -0.025 0.000 2.421 246 H HA -0.076 4.480 4.556 -0.000 0.000 0.298 246 H C 2.158 177.529 175.328 0.072 0.000 1.087 246 H CA 0.765 56.830 56.048 0.029 0.000 1.330 246 H CB 0.108 29.881 29.762 0.019 0.000 1.388 246 H HN 0.099 nan 8.280 nan 0.000 0.526 247 M N 0.639 120.361 119.600 0.203 0.000 2.067 247 M HA -0.082 4.398 4.480 -0.000 0.000 0.260 247 M C 2.818 179.179 176.300 0.100 0.000 1.069 247 M CA 1.080 56.494 55.300 0.190 0.000 1.117 247 M CB -1.031 31.693 32.600 0.207 0.000 1.334 247 M HN 0.294 nan 8.290 nan 0.000 0.407 248 A N 0.239 123.119 122.820 0.100 0.000 2.019 248 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 248 A C 1.930 179.558 177.584 0.073 0.000 1.164 248 A CA 2.095 54.155 52.037 0.039 0.000 0.644 248 A CB -1.010 18.120 19.000 0.218 0.000 0.805 248 A HN 0.592 nan 8.150 nan 0.000 0.449 249 N N -0.203 118.585 118.700 0.147 0.000 2.412 249 N HA 0.060 4.800 4.740 -0.000 0.000 0.184 249 N C 1.498 177.100 175.510 0.153 0.000 1.101 249 N CA 1.121 54.244 53.050 0.121 0.000 0.881 249 N CB -0.336 38.210 38.487 0.098 0.000 0.969 249 N HN 0.241 nan 8.380 nan 0.000 0.459 250 G N -1.008 107.900 108.800 0.179 0.000 2.403 250 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 250 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 250 G C 1.227 176.358 174.900 0.386 0.000 1.154 250 G CA 0.375 45.636 45.100 0.269 0.000 0.784 250 G HN 0.444 nan 8.290 nan 0.000 0.538 251 Y N 0.534 120.913 120.300 0.132 0.000 2.373 251 Y HA -0.101 4.449 4.550 -0.000 0.000 0.293 251 Y C 3.186 179.133 175.900 0.078 0.000 1.129 251 Y CA 0.402 58.562 58.100 0.100 0.000 1.226 251 Y CB 0.177 38.666 38.460 0.049 0.000 1.000 251 Y HN 0.156 nan 8.280 nan 0.000 0.549 252 Q N -0.200 119.729 119.800 0.216 0.000 2.248 252 Q HA -0.154 4.186 4.340 -0.000 0.000 0.208 252 Q C 1.945 177.994 176.000 0.083 0.000 0.984 252 Q CA 1.733 57.593 55.803 0.095 0.000 0.875 252 Q CB -0.873 27.870 28.738 0.009 0.000 0.910 252 Q HN 0.449 nan 8.270 nan 0.000 0.433 253 T N 0.200 114.839 114.554 0.142 0.000 3.014 253 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 253 T C 1.948 176.685 174.700 0.063 0.000 1.078 253 T CA 0.646 62.824 62.100 0.129 0.000 1.135 253 T CB 0.124 69.089 68.868 0.162 0.000 0.895 253 T HN 0.051 nan 8.240 nan 0.000 0.480 254 V N 1.122 121.085 119.914 0.081 0.000 3.406 254 V HA 0.044 4.164 4.120 -0.000 0.000 0.263 254 V C 2.284 178.318 176.094 -0.100 0.000 1.172 254 V CA 0.619 62.941 62.300 0.037 0.000 1.140 254 V CB -0.183 31.696 31.823 0.093 0.000 0.784 254 V HN 0.306 nan 8.190 nan 0.000 0.467 255 V N 0.446 120.303 119.914 -0.096 0.000 2.825 255 V HA -0.057 4.063 4.120 -0.000 0.000 0.246 255 V C 2.355 178.331 176.094 -0.196 0.000 1.068 255 V CA 1.555 63.703 62.300 -0.254 0.000 1.088 255 V CB 0.080 31.857 31.823 -0.077 0.000 0.733 255 V HN 0.704 nan 8.190 nan 0.000 0.468 256 S N 0.627 116.277 115.700 -0.082 0.000 2.607 256 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 256 S C 1.447 176.033 174.600 -0.023 0.000 0.969 256 S CA 0.996 59.169 58.200 -0.044 0.000 0.927 256 S CB -0.388 62.812 63.200 -0.001 0.000 0.772 256 S HN 0.773 nan 8.310 nan 0.000 0.533 257 I N -4.069 116.478 120.570 -0.038 0.000 4.730 257 I HA 0.550 4.720 4.170 -0.000 0.000 0.332 257 I C 1.924 178.034 176.117 -0.011 0.000 1.299 257 I CA 0.051 61.375 61.300 0.040 0.000 1.294 257 I CB -0.361 37.741 38.000 0.171 0.000 1.317 257 I HN 0.121 nan 8.210 nan 0.000 0.457 258 A N 2.212 124.933 122.820 -0.164 0.000 2.093 258 A HA -0.216 4.104 4.320 -0.000 0.000 0.222 258 A C 1.734 179.238 177.584 -0.134 0.000 1.162 258 A CA 2.576 54.470 52.037 -0.239 0.000 0.655 258 A CB -0.929 17.584 19.000 -0.812 0.000 0.805 258 A HN 0.631 nan 8.150 nan 0.000 0.461 259 N N -0.127 118.506 118.700 -0.112 0.000 2.258 259 N HA 0.041 4.781 4.740 -0.000 0.000 0.183 259 N C 0.477 175.970 175.510 -0.027 0.000 1.029 259 N CA 0.713 53.726 53.050 -0.061 0.000 0.857 259 N CB -0.328 38.122 38.487 -0.060 0.000 1.008 259 N HN 0.523 nan 8.380 nan 0.000 0.433 260 D N 1.059 121.453 120.400 -0.010 0.000 2.586 260 D HA -0.038 4.602 4.640 -0.000 0.000 0.234 260 D C -1.671 174.621 176.300 -0.013 0.000 1.132 260 D CA -0.938 53.063 54.000 0.002 0.000 0.860 260 D CB 0.909 41.729 40.800 0.034 0.000 1.159 260 D HN 0.065 nan 8.370 nan 0.000 0.490 261 P HA -0.190 nan 4.420 nan 0.000 0.216 261 P C 0.929 178.169 177.300 -0.100 0.000 1.150 261 P CA 1.869 64.937 63.100 -0.054 0.000 0.843 261 P CB 0.057 31.727 31.700 -0.050 0.000 0.787 262 A N -0.623 122.141 122.820 -0.093 0.000 1.908 262 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 262 A C 2.515 179.980 177.584 -0.199 0.000 1.181 262 A CA 2.264 54.207 52.037 -0.158 0.000 0.627 262 A CB -1.698 17.305 19.000 0.006 0.000 0.818 262 A HN 0.222 nan 8.150 nan 0.000 0.445 263 S N -0.089 115.568 115.700 -0.071 0.000 2.374 263 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 263 S C 1.860 176.487 174.600 0.044 0.000 1.037 263 S CA 1.470 59.722 58.200 0.087 0.000 1.024 263 S CB -0.487 62.823 63.200 0.184 0.000 0.861 263 S HN 0.945 nan 8.310 nan 0.000 0.456 264 A N 0.903 123.704 122.820 -0.032 0.000 2.263 264 A HA 0.098 4.418 4.320 -0.000 0.000 0.205 264 A C 1.327 178.849 177.584 -0.102 0.000 1.226 264 A CA 1.051 53.064 52.037 -0.041 0.000 0.810 264 A CB -0.471 18.502 19.000 -0.044 0.000 0.784 264 A HN 0.806 nan 8.150 nan 0.000 0.486 265 K N -3.597 116.686 120.400 -0.195 0.000 2.614 265 K HA 0.252 4.572 4.320 -0.000 0.000 0.192 265 K C -0.130 176.278 176.600 -0.319 0.000 1.398 265 K CA -0.170 55.941 56.287 -0.293 0.000 1.074 265 K CB -0.196 32.037 32.500 -0.445 0.000 1.182 265 K HN 0.312 nan 8.250 nan 0.000 0.604 266 Y N -0.418 119.885 120.300 0.005 0.000 2.476 266 Y HA 0.171 4.721 4.550 -0.000 0.000 0.274 266 Y C 1.649 177.684 175.900 0.224 0.000 1.120 266 Y CA -0.750 57.377 58.100 0.044 0.000 1.214 266 Y CB 0.555 38.910 38.460 -0.177 0.000 1.285 266 Y HN -0.047 nan 8.280 nan 0.000 0.520 267 L N 1.427 122.898 121.223 0.414 0.000 1.971 267 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 267 L C 1.489 178.508 176.870 0.250 0.000 1.072 267 L CA 2.244 57.312 54.840 0.380 0.000 0.758 267 L CB -0.861 41.369 42.059 0.285 0.000 0.889 267 L HN 0.219 nan 8.230 nan 0.000 0.433 268 N N -2.115 116.694 118.700 0.181 0.000 2.104 268 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 268 N C 1.537 177.147 175.510 0.165 0.000 1.024 268 N CA 1.657 54.792 53.050 0.141 0.000 0.853 268 N CB -0.161 38.382 38.487 0.093 0.000 1.008 268 N HN 0.410 nan 8.380 nan 0.000 0.424 269 T N 0.987 115.654 114.554 0.189 0.000 2.674 269 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 269 T C 1.155 175.984 174.700 0.216 0.000 1.039 269 T CA 1.177 63.395 62.100 0.196 0.000 1.150 269 T CB -0.321 68.673 68.868 0.211 0.000 0.864 269 T HN 0.211 nan 8.240 nan 0.000 0.427 270 D N 0.902 121.448 120.400 0.243 0.000 2.144 270 D HA -0.051 4.589 4.640 -0.000 0.000 0.199 270 D C 2.039 178.478 176.300 0.232 0.000 0.984 270 D CA 0.610 54.748 54.000 0.229 0.000 0.834 270 D CB -0.398 40.540 40.800 0.229 0.000 0.955 270 D HN 0.179 nan 8.370 nan 0.000 0.465 271 L N 1.185 122.546 121.223 0.231 0.000 2.141 271 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 271 L C 1.675 178.732 176.870 0.313 0.000 1.094 271 L CA 1.588 56.585 54.840 0.261 0.000 0.763 271 L CB -0.793 41.398 42.059 0.220 0.000 0.908 271 L HN -0.113 nan 8.230 nan 0.000 0.437 272 N N -0.315 118.538 118.700 0.255 0.000 2.080 272 N HA -0.184 4.556 4.740 -0.000 0.000 0.189 272 N C 1.631 177.340 175.510 0.332 0.000 1.036 272 N CA 1.988 55.192 53.050 0.256 0.000 0.846 272 N CB -0.188 38.382 38.487 0.139 0.000 1.015 272 N HN 0.528 nan 8.380 nan 0.000 0.423 273 N N -0.208 118.665 118.700 0.287 0.000 2.084 273 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 273 N C 1.749 177.467 175.510 0.346 0.000 1.030 273 N CA 1.074 54.313 53.050 0.316 0.000 0.849 273 N CB -0.231 38.419 38.487 0.272 0.000 1.012 273 N HN 0.294 nan 8.380 nan 0.000 0.423 274 A N 1.376 124.389 122.820 0.322 0.000 1.873 274 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 274 A C 2.037 179.826 177.584 0.341 0.000 1.193 274 A CA 1.500 53.728 52.037 0.317 0.000 0.629 274 A CB -1.158 18.026 19.000 0.306 0.000 0.826 274 A HN 0.428 nan 8.150 nan 0.000 0.447 275 F N -0.620 119.487 119.950 0.261 0.000 2.095 275 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 275 F C 2.242 178.190 175.800 0.247 0.000 1.104 275 F CA 2.002 60.135 58.000 0.222 0.000 1.232 275 F CB -0.458 38.684 39.000 0.237 0.000 0.987 275 F HN 0.556 nan 8.300 nan 0.000 0.475 276 W N 1.345 122.626 121.300 -0.030 0.000 2.358 276 W HA -0.206 4.454 4.660 -0.000 0.000 0.303 276 W C 2.021 178.506 176.519 -0.056 0.000 1.208 276 W CA 2.176 59.438 57.345 -0.139 0.000 1.274 276 W CB -0.779 28.671 29.460 -0.015 0.000 1.138 276 W HN 0.013 nan 8.180 nan 0.000 0.515 277 T N 1.588 116.214 114.554 0.119 0.000 2.622 277 T HA -0.280 4.070 4.350 -0.000 0.000 0.266 277 T C 1.814 176.485 174.700 -0.048 0.000 1.047 277 T CA 2.135 64.279 62.100 0.075 0.000 1.159 277 T CB -0.512 68.470 68.868 0.190 0.000 0.863 277 T HN 0.092 nan 8.240 nan 0.000 0.422 278 Q N 0.939 120.772 119.800 0.056 0.000 2.002 278 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 278 Q C 2.435 178.391 176.000 -0.074 0.000 0.988 278 Q CA 1.403 57.300 55.803 0.158 0.000 0.843 278 Q CB -0.865 28.110 28.738 0.396 0.000 0.908 278 Q HN 0.532 nan 8.270 nan 0.000 0.420 279 Q N 1.189 120.882 119.800 -0.179 0.000 2.077 279 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 279 Q C 1.974 177.731 176.000 -0.405 0.000 0.989 279 Q CA 2.057 57.724 55.803 -0.227 0.000 0.853 279 Q CB -0.096 28.334 28.738 -0.513 0.000 0.907 279 Q HN 0.142 nan 8.270 nan 0.000 0.418 280 K N -0.419 119.571 120.400 -0.684 0.000 2.127 280 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 280 K C 1.908 178.319 176.600 -0.316 0.000 1.047 280 K CA 1.810 57.714 56.287 -0.638 0.000 0.927 280 K CB -0.637 31.450 32.500 -0.689 0.000 0.716 280 K HN 0.373 nan 8.250 nan 0.000 0.450 281 Y N -1.094 118.948 120.300 -0.429 0.000 2.239 281 Y HA 0.081 4.631 4.550 -0.000 0.000 0.293 281 Y C 1.630 177.206 175.900 -0.539 0.000 1.126 281 Y CA 1.193 59.003 58.100 -0.484 0.000 1.128 281 Y CB -0.327 37.752 38.460 -0.634 0.000 1.066 281 Y HN -0.010 nan 8.280 nan 0.000 0.516 282 F N 0.393 120.050 119.950 -0.490 0.000 2.171 282 F HA -0.192 4.335 4.527 0.000 0.000 0.300 282 F C 2.468 178.002 175.800 -0.444 0.000 1.090 282 F CA 1.892 59.511 58.000 -0.635 0.000 1.293 282 F CB -1.266 37.171 39.000 -0.939 0.000 1.013 282 F HN -0.009 nan 8.300 nan 0.000 0.486 283 T N 1.650 116.141 114.554 -0.106 0.000 2.544 283 T HA -0.182 4.168 4.350 -0.000 0.000 0.264 283 T C -0.218 174.464 174.700 -0.029 0.000 1.096 283 T CA 2.415 64.603 62.100 0.148 0.000 1.181 283 T CB -1.428 67.429 68.868 -0.019 0.000 0.864 283 T HN 0.167 nan 8.240 nan 0.000 0.415 284 P HA 0.054 nan 4.420 nan 0.000 0.221 284 P C 1.472 178.551 177.300 -0.369 0.000 1.150 284 P CA 0.871 63.849 63.100 -0.204 0.000 0.800 284 P CB -0.101 31.513 31.700 -0.144 0.000 0.787 285 V N 0.105 119.686 119.914 -0.554 0.000 2.446 285 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 285 V C 2.833 178.533 176.094 -0.658 0.000 1.039 285 V CA 1.082 63.016 62.300 -0.611 0.000 1.045 285 V CB -1.065 30.229 31.823 -0.883 0.000 0.681 285 V HN -0.031 nan 8.190 nan 0.000 0.459 286 L N 0.777 121.552 121.223 -0.746 0.000 2.017 286 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 286 L C 2.705 178.564 176.870 -1.685 0.000 1.073 286 L CA 1.909 56.079 54.840 -1.117 0.000 0.745 286 L CB -1.239 40.283 42.059 -0.895 0.000 0.894 286 L HN 0.468 nan 8.230 nan 0.000 0.432 287 G N -0.442 107.156 108.800 -2.004 0.000 2.442 287 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 287 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 287 G C 1.647 176.091 174.900 -0.760 0.000 1.141 287 G CA 0.916 44.840 45.100 -1.959 0.000 0.763 287 G HN 0.260 nan 8.290 nan 0.000 0.554 288 M N -0.140 119.152 119.600 -0.514 0.000 2.086 288 M HA 0.064 4.544 4.480 -0.000 0.000 0.261 288 M C 2.461 178.656 176.300 -0.174 0.000 1.067 288 M CA 1.280 56.490 55.300 -0.149 0.000 1.116 288 M CB -0.162 32.346 32.600 -0.154 0.000 1.348 288 M HN 0.212 nan 8.290 nan 0.000 0.407 289 L N -0.645 120.339 121.223 -0.398 0.000 2.083 289 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 289 L C 2.317 179.067 176.870 -0.201 0.000 1.083 289 L CA 1.393 56.024 54.840 -0.349 0.000 0.752 289 L CB -0.716 41.057 42.059 -0.477 0.000 0.899 289 L HN 0.348 nan 8.230 nan 0.000 0.433 290 F N 0.262 119.870 119.950 -0.570 0.000 2.060 290 F HA -0.178 4.349 4.527 -0.000 0.000 0.295 290 F C 2.626 177.907 175.800 -0.864 0.000 1.120 290 F CA 0.768 58.180 58.000 -0.979 0.000 1.205 290 F CB -0.113 37.924 39.000 -1.605 0.000 0.986 290 F HN 0.085 nan 8.300 nan 0.000 0.470 291 E N -0.564 119.451 120.200 -0.308 0.000 2.072 291 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 291 E C 1.681 178.137 176.600 -0.241 0.000 0.982 291 E CA 1.217 57.517 56.400 -0.166 0.000 0.803 291 E CB -0.181 29.638 29.700 0.198 0.000 0.755 291 E HN 0.489 nan 8.360 nan 0.000 0.453 292 Y N -0.452 119.760 120.300 -0.147 0.000 2.510 292 Y HA 0.167 4.717 4.550 -0.000 0.000 0.273 292 Y C 2.176 177.917 175.900 -0.265 0.000 1.119 292 Y CA 0.555 58.442 58.100 -0.355 0.000 1.286 292 Y CB 0.520 38.314 38.460 -1.110 0.000 1.061 292 Y HN 0.017 nan 8.280 nan 0.000 0.542 293 G N -0.697 108.081 108.800 -0.037 0.000 3.337 293 G HA2 0.182 4.142 3.960 -0.000 0.000 0.246 293 G HA3 0.182 4.142 3.960 -0.000 0.000 0.246 293 G C 0.041 175.029 174.900 0.146 0.000 1.131 293 G CA 0.213 45.313 45.100 0.000 0.000 0.773 293 G HN 0.230 nan 8.290 nan 0.000 0.544 294 S N -1.186 114.569 115.700 0.092 0.000 2.599 294 S HA 0.642 5.112 4.470 -0.000 0.000 0.294 294 S C 0.514 174.968 174.600 -0.243 0.000 1.094 294 S CA -0.719 57.544 58.200 0.106 0.000 0.931 294 S CB 2.792 66.143 63.200 0.252 0.000 1.093 294 S HN -0.042 nan 8.310 nan 0.000 0.488 295 K N 0.959 121.049 120.400 -0.516 0.000 2.121 295 K HA 0.376 4.696 4.320 -0.000 0.000 0.203 295 K C -0.529 175.577 176.600 -0.824 0.000 1.041 295 K CA 0.339 56.085 56.287 -0.902 0.000 0.969 295 K CB -0.451 31.044 32.500 -1.674 0.000 0.799 295 K HN 0.669 nan 8.250 nan 0.000 0.456 296 F N 2.403 122.129 119.950 -0.373 0.000 2.411 296 F HA 0.335 4.862 4.527 -0.000 0.000 0.355 296 F C 0.333 175.855 175.800 -0.464 0.000 1.117 296 F CA -1.082 56.684 58.000 -0.389 0.000 1.139 296 F CB 1.195 39.993 39.000 -0.337 0.000 1.120 296 F HN -0.252 nan 8.300 nan 0.000 0.493 297 K N 1.484 121.613 120.400 -0.452 0.000 2.107 297 K HA 0.417 4.737 4.320 -0.000 0.000 0.251 297 K C 0.334 176.443 176.600 -0.818 0.000 1.012 297 K CA -0.304 55.559 56.287 -0.707 0.000 0.920 297 K CB 1.166 32.975 32.500 -1.152 0.000 1.033 297 K HN 0.413 nan 8.250 nan 0.000 0.478 298 V N -0.647 118.497 119.914 -1.283 0.000 3.137 298 V HA 0.207 4.327 4.120 -0.000 0.000 0.236 298 V C -0.352 175.496 176.094 -0.411 0.000 1.260 298 V CA 0.202 61.922 62.300 -0.967 0.000 1.244 298 V CB 0.336 31.235 31.823 -1.540 0.000 1.016 298 V HN 0.821 nan 8.190 nan 0.000 0.477 299 E N 0.014 120.129 120.200 -0.141 0.000 2.649 299 E HA 0.245 4.595 4.350 -0.000 0.000 0.308 299 E C -3.043 173.871 176.600 0.523 0.000 1.017 299 E CA -1.415 55.102 56.400 0.195 0.000 0.848 299 E CB 2.519 32.283 29.700 0.107 0.000 1.240 299 E HN 0.059 nan 8.360 nan 0.000 0.421 300 P HA -0.079 nan 4.420 nan 0.000 0.262 300 P C 0.306 177.862 177.300 0.427 0.000 1.182 300 P CA 0.078 63.436 63.100 0.430 0.000 0.761 300 P CB 0.274 31.896 31.700 -0.130 0.000 0.795 301 W N 4.683 126.180 121.300 0.329 0.000 2.321 301 W HA -0.256 4.404 4.660 -0.000 0.000 0.306 301 W C 1.354 177.887 176.519 0.025 0.000 1.217 301 W CA 1.865 59.262 57.345 0.087 0.000 1.257 301 W CB -0.381 28.946 29.460 -0.222 0.000 1.145 301 W HN 0.157 nan 8.180 nan 0.000 0.509 302 V N 1.259 121.222 119.914 0.081 0.000 2.278 302 V HA -0.360 3.760 4.120 -0.000 0.000 0.251 302 V C 2.199 178.257 176.094 -0.060 0.000 1.062 302 V CA 2.908 65.193 62.300 -0.025 0.000 1.038 302 V CB -1.536 30.288 31.823 0.002 0.000 0.646 302 V HN 0.344 nan 8.190 nan 0.000 0.447 303 K N 0.179 120.532 120.400 -0.077 0.000 2.365 303 K HA 0.025 4.345 4.320 -0.000 0.000 0.197 303 K C 1.847 178.362 176.600 -0.142 0.000 1.042 303 K CA 1.251 57.493 56.287 -0.075 0.000 0.987 303 K CB -0.473 31.993 32.500 -0.056 0.000 0.779 303 K HN 0.465 nan 8.250 nan 0.000 0.484 304 T N 0.598 115.005 114.554 -0.246 0.000 2.812 304 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 304 T C 1.170 175.279 174.700 -0.984 0.000 1.042 304 T CA 1.087 62.901 62.100 -0.477 0.000 1.140 304 T CB -0.247 68.379 68.868 -0.404 0.000 0.870 304 T HN 0.484 nan 8.240 nan 0.000 0.445 305 W N 2.529 123.124 121.300 -1.176 0.000 2.381 305 W HA -0.065 4.595 4.660 0.000 0.000 0.321 305 W C 2.141 178.438 176.519 -0.370 0.000 1.196 305 W CA 1.224 57.972 57.345 -0.995 0.000 1.304 305 W CB -0.465 28.431 29.460 -0.941 0.000 1.166 305 W HN 0.168 nan 8.180 nan 0.000 0.473 306 D N 0.128 120.546 120.400 0.030 0.000 2.280 306 D HA -0.260 4.380 4.640 -0.000 0.000 0.206 306 D C 2.080 178.338 176.300 -0.070 0.000 0.988 306 D CA 1.222 55.211 54.000 -0.019 0.000 0.886 306 D CB -0.193 40.613 40.800 0.009 0.000 0.914 306 D HN 0.210 nan 8.370 nan 0.000 0.473 307 R N -0.689 119.764 120.500 -0.078 0.000 2.057 307 R HA -0.082 4.258 4.340 -0.000 0.000 0.224 307 R C 2.313 178.710 176.300 0.162 0.000 1.136 307 R CA 0.696 56.832 56.100 0.059 0.000 0.968 307 R CB -0.362 29.994 30.300 0.093 0.000 0.863 307 R HN 0.173 nan 8.270 nan 0.000 0.433 308 W N 0.735 121.924 121.300 -0.186 0.000 2.317 308 W HA -0.152 4.508 4.660 0.000 0.000 0.318 308 W C 2.146 178.492 176.519 -0.289 0.000 1.227 308 W CA 0.629 57.820 57.345 -0.256 0.000 1.269 308 W CB -1.155 28.078 29.460 -0.378 0.000 1.155 308 W HN -0.062 nan 8.180 nan 0.000 0.484 309 V N -1.425 118.344 119.914 -0.242 0.000 2.809 309 V HA -0.224 3.896 4.120 -0.000 0.000 0.256 309 V C 1.354 177.423 176.094 -0.041 0.000 1.080 309 V CA 1.456 63.594 62.300 -0.269 0.000 1.102 309 V CB -0.934 30.412 31.823 -0.795 0.000 0.705 309 V HN 0.055 nan 8.190 nan 0.000 0.475 310 Y N 0.720 120.960 120.300 -0.099 0.000 2.837 310 Y HA 0.299 4.849 4.550 -0.000 0.000 0.212 310 Y C 2.554 178.473 175.900 0.031 0.000 0.997 310 Y CA 0.573 58.663 58.100 -0.017 0.000 1.530 310 Y CB -0.946 37.499 38.460 -0.025 0.000 1.272 310 Y HN 0.065 nan 8.280 nan 0.000 0.480 311 E N 0.600 120.937 120.200 0.229 0.000 2.527 311 E HA -0.042 4.308 4.350 -0.000 0.000 0.204 311 E C 0.069 176.758 176.600 0.149 0.000 1.132 311 E CA 1.679 58.172 56.400 0.155 0.000 0.905 311 E CB -1.121 28.654 29.700 0.125 0.000 0.875 311 E HN 0.671 nan 8.360 nan 0.000 0.548 312 D N -4.029 116.470 120.400 0.164 0.000 2.204 312 D HA 0.176 4.816 4.640 -0.000 0.000 0.337 312 D C 0.909 177.346 176.300 0.227 0.000 1.054 312 D CA -0.156 53.948 54.000 0.175 0.000 0.869 312 D CB 0.104 40.974 40.800 0.117 0.000 1.548 312 D HN 0.446 nan 8.370 nan 0.000 0.530 313 W N 0.768 122.045 121.300 -0.039 0.000 4.712 313 W HA 0.335 4.995 4.660 -0.000 0.000 0.191 313 W C 1.190 177.681 176.519 -0.047 0.000 1.193 313 W CA 0.333 57.630 57.345 -0.079 0.000 2.258 313 W CB 0.122 29.422 29.460 -0.268 0.000 0.953 313 W HN -0.125 nan 8.180 nan 0.000 0.923 314 G N 0.774 109.599 108.800 0.041 0.000 3.263 314 G HA2 0.389 4.349 3.960 -0.000 0.000 0.246 314 G HA3 0.389 4.349 3.960 -0.000 0.000 0.246 314 G C 0.373 175.112 174.900 -0.270 0.000 0.982 314 G CA 0.849 45.783 45.100 -0.277 0.000 1.897 314 G HN 0.657 nan 8.290 nan 0.000 0.624 315 G N 0.245 108.926 108.800 -0.197 0.000 3.979 315 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.113 315 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.113 315 G C 0.856 175.721 174.900 -0.059 0.000 1.904 315 G CA -0.067 44.963 45.100 -0.116 0.000 0.982 315 G HN 0.382 nan 8.290 nan 0.000 0.300 316 I N 0.510 121.093 120.570 0.022 0.000 3.616 316 I HA 0.261 4.431 4.170 -0.000 0.000 0.306 316 I C 1.076 177.274 176.117 0.135 0.000 1.232 316 I CA 0.547 61.882 61.300 0.058 0.000 1.182 316 I CB -0.157 37.900 38.000 0.095 0.000 1.007 316 I HN 0.539 nan 8.210 nan 0.000 0.479 317 W N -0.384 120.827 121.300 -0.147 0.000 4.862 317 W HA 0.092 4.752 4.660 -0.000 0.000 0.164 317 W C 1.362 177.711 176.519 -0.283 0.000 1.072 317 W CA 0.038 57.296 57.345 -0.146 0.000 1.730 317 W CB -0.086 29.299 29.460 -0.126 0.000 0.542 317 W HN -0.018 nan 8.180 nan 0.000 1.046 318 I N 1.263 121.704 120.570 -0.216 0.000 2.876 318 I HA 0.100 4.270 4.170 -0.000 0.000 0.264 318 I C 1.994 177.926 176.117 -0.309 0.000 1.204 318 I CA 1.677 62.742 61.300 -0.391 0.000 1.485 318 I CB -0.514 37.046 38.000 -0.734 0.000 1.103 318 I HN 0.016 nan 8.210 nan 0.000 0.446 319 G N 0.300 108.952 108.800 -0.248 0.000 2.598 319 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 319 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 319 G C 1.665 176.427 174.900 -0.230 0.000 1.131 319 G CA 0.573 45.547 45.100 -0.209 0.000 0.785 319 G HN 0.445 nan 8.290 nan 0.000 0.539 320 R N 0.253 120.589 120.500 -0.273 0.000 2.319 320 R HA 0.579 4.919 4.340 -0.000 0.000 0.204 320 R C 1.386 177.420 176.300 -0.443 0.000 0.954 320 R CA 0.429 56.340 56.100 -0.315 0.000 1.066 320 R CB -0.772 29.349 30.300 -0.298 0.000 0.991 320 R HN 0.443 nan 8.270 nan 0.000 0.486 321 L N -1.422 119.544 121.223 -0.428 0.000 3.184 321 L HA 0.295 4.635 4.340 -0.000 0.000 0.283 321 L C 2.097 178.760 176.870 -0.345 0.000 1.218 321 L CA 0.195 54.743 54.840 -0.486 0.000 1.028 321 L CB 1.251 43.062 42.059 -0.414 0.000 1.400 321 L HN 0.360 nan 8.230 nan 0.000 0.591 322 G N 0.912 109.543 108.800 -0.282 0.000 2.509 322 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 322 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 322 G C 1.414 176.212 174.900 -0.170 0.000 1.124 322 G CA 0.333 45.322 45.100 -0.185 0.000 0.776 322 G HN 0.501 nan 8.290 nan 0.000 0.547 323 K N -0.488 119.740 120.400 -0.287 0.000 2.555 323 K HA 0.072 4.392 4.320 -0.000 0.000 0.193 323 K C 0.690 177.250 176.600 -0.067 0.000 1.032 323 K CA 0.468 56.612 56.287 -0.239 0.000 1.004 323 K CB -0.182 32.106 32.500 -0.354 0.000 0.804 323 K HN 0.529 nan 8.250 nan 0.000 0.496 324 Y N 0.042 120.294 120.300 -0.080 0.000 2.557 324 Y HA 0.213 4.763 4.550 -0.000 0.000 0.247 324 Y C 0.974 176.851 175.900 -0.039 0.000 1.164 324 Y CA -0.435 57.630 58.100 -0.058 0.000 1.218 324 Y CB 1.582 39.999 38.460 -0.072 0.000 1.210 324 Y HN 0.344 nan 8.280 nan 0.000 0.529 325 G N 0.940 109.793 108.800 0.088 0.000 2.141 325 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.231 325 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.231 325 G C -0.230 174.688 174.900 0.030 0.000 0.984 325 G CA -0.073 45.054 45.100 0.044 0.000 0.660 325 G HN 0.072 nan 8.290 nan 0.000 0.525 326 V N 1.190 121.111 119.914 0.011 0.000 2.488 326 V HA 0.448 4.568 4.120 -0.000 0.000 0.277 326 V C 0.766 176.826 176.094 -0.057 0.000 1.046 326 V CA 0.128 62.418 62.300 -0.017 0.000 0.986 326 V CB 1.285 33.077 31.823 -0.051 0.000 0.989 326 V HN 0.468 nan 8.190 nan 0.000 0.475 327 E N 2.030 122.204 120.200 -0.044 0.000 2.672 327 E HA 0.499 4.849 4.350 -0.000 0.000 0.235 327 E C -0.495 176.047 176.600 -0.096 0.000 0.906 327 E CA -0.711 55.653 56.400 -0.061 0.000 0.973 327 E CB 1.292 30.976 29.700 -0.027 0.000 1.478 327 E HN 0.571 nan 8.360 nan 0.000 0.430 328 S N 0.540 116.184 115.700 -0.093 0.000 2.525 328 S HA 0.346 4.816 4.470 -0.000 0.000 0.290 328 S C -2.516 172.025 174.600 -0.099 0.000 1.152 328 S CA -1.617 56.503 58.200 -0.134 0.000 1.072 328 S CB 0.620 63.742 63.200 -0.131 0.000 1.027 328 S HN 0.099 nan 8.310 nan 0.000 0.500 329 P HA 0.100 nan 4.420 nan 0.000 0.257 329 P C 0.433 177.681 177.300 -0.085 0.000 1.189 329 P CA 0.009 63.035 63.100 -0.124 0.000 0.780 329 P CB 0.142 31.608 31.700 -0.391 0.000 0.772 330 R N 1.830 122.293 120.500 -0.061 0.000 2.293 330 R HA -0.092 4.248 4.340 -0.000 0.000 0.219 330 R C 0.911 177.153 176.300 -0.096 0.000 1.091 330 R CA 1.661 57.743 56.100 -0.029 0.000 1.004 330 R CB -0.628 29.692 30.300 0.034 0.000 0.865 330 R HN 0.386 nan 8.270 nan 0.000 0.469 331 S N -0.029 115.496 115.700 -0.290 0.000 2.557 331 S HA 0.076 4.546 4.470 -0.000 0.000 0.223 331 S C 1.529 176.279 174.600 0.249 0.000 0.969 331 S CA -0.411 57.562 58.200 -0.379 0.000 0.927 331 S CB 0.370 62.786 63.200 -1.307 0.000 0.806 331 S HN 0.243 nan 8.310 nan 0.000 0.489 332 L N 2.151 123.500 121.223 0.211 0.000 2.083 332 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 332 L C 2.567 179.685 176.870 0.412 0.000 1.083 332 L CA 2.330 57.342 54.840 0.287 0.000 0.752 332 L CB -1.262 40.782 42.059 -0.025 0.000 0.899 332 L HN 0.413 nan 8.230 nan 0.000 0.433 333 K N -0.536 120.065 120.400 0.334 0.000 2.001 333 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 333 K C 1.781 178.631 176.600 0.416 0.000 1.048 333 K CA 1.837 58.337 56.287 0.355 0.000 0.932 333 K CB -1.504 31.163 32.500 0.279 0.000 0.715 333 K HN 0.551 nan 8.250 nan 0.000 0.437 334 D N 0.477 121.155 120.400 0.463 0.000 2.104 334 D HA -0.061 4.579 4.640 -0.000 0.000 0.194 334 D C 2.209 178.854 176.300 0.576 0.000 0.994 334 D CA 1.782 56.095 54.000 0.522 0.000 0.830 334 D CB -0.616 40.589 40.800 0.674 0.000 0.959 334 D HN 0.490 nan 8.370 nan 0.000 0.452 335 A N 0.904 124.147 122.820 0.705 0.000 1.917 335 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 335 A C 2.064 179.920 177.584 0.453 0.000 1.182 335 A CA 2.227 54.624 52.037 0.601 0.000 0.633 335 A CB -0.710 18.732 19.000 0.738 0.000 0.819 335 A HN 0.237 nan 8.150 nan 0.000 0.448 336 K N -1.032 119.738 120.400 0.617 0.000 2.063 336 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 336 K C 2.200 178.938 176.600 0.231 0.000 1.048 336 K CA 1.784 58.403 56.287 0.553 0.000 0.928 336 K CB -0.359 32.516 32.500 0.625 0.000 0.713 336 K HN 0.531 nan 8.250 nan 0.000 0.442 337 Q N 0.680 120.642 119.800 0.270 0.000 2.547 337 Q HA -0.069 4.271 4.340 -0.000 0.000 0.217 337 Q C 0.302 176.436 176.000 0.224 0.000 0.978 337 Q CA 1.769 57.709 55.803 0.228 0.000 0.962 337 Q CB -0.329 28.558 28.738 0.249 0.000 0.990 337 Q HN 0.583 nan 8.270 nan 0.000 0.538 338 D N -2.645 117.834 120.400 0.132 0.000 2.525 338 D HA 0.380 5.020 4.640 -0.000 0.000 0.231 338 D C 1.266 177.535 176.300 -0.052 0.000 1.216 338 D CA 0.630 54.698 54.000 0.114 0.000 0.813 338 D CB 0.918 41.800 40.800 0.137 0.000 1.108 338 D HN 0.409 nan 8.370 nan 0.000 0.524 339 A N -0.429 122.197 122.820 -0.324 0.000 2.238 339 A HA 0.054 4.374 4.320 -0.000 0.000 0.210 339 A C 1.365 178.899 177.584 -0.084 0.000 1.179 339 A CA 0.251 51.955 52.037 -0.555 0.000 0.827 339 A CB -0.304 17.647 19.000 -1.749 0.000 0.856 339 A HN 0.306 nan 8.150 nan 0.000 0.488 340 Y N -1.826 118.431 120.300 -0.072 0.000 2.301 340 Y HA 0.006 4.556 4.550 -0.000 0.000 0.295 340 Y C 1.613 177.470 175.900 -0.071 0.000 1.119 340 Y CA 1.597 59.660 58.100 -0.062 0.000 1.162 340 Y CB 0.061 38.349 38.460 -0.285 0.000 1.046 340 Y HN 0.437 nan 8.280 nan 0.000 0.538 341 W N -1.951 119.600 121.300 0.419 0.000 2.901 341 W HA 0.311 4.971 4.660 0.000 0.000 0.281 341 W C 2.293 178.903 176.519 0.151 0.000 1.167 341 W CA 0.482 58.004 57.345 0.295 0.000 1.506 341 W CB -0.229 29.433 29.460 0.338 0.000 0.985 341 W HN -0.029 nan 8.180 nan 0.000 0.590 342 A N 1.446 124.486 122.820 0.367 0.000 1.884 342 A HA -0.346 3.974 4.320 -0.000 0.000 0.219 342 A C 1.573 179.238 177.584 0.136 0.000 1.197 342 A CA 2.551 54.722 52.037 0.224 0.000 0.637 342 A CB -1.600 17.473 19.000 0.122 0.000 0.827 342 A HN 0.667 nan 8.150 nan 0.000 0.450 343 H N -2.796 116.212 119.070 -0.103 0.000 2.421 343 H HA -0.101 4.455 4.556 0.000 0.000 0.298 343 H C 1.867 177.092 175.328 -0.173 0.000 1.087 343 H CA 1.538 57.456 56.048 -0.216 0.000 1.330 343 H CB -0.529 29.016 29.762 -0.362 0.000 1.388 343 H HN 0.715 nan 8.280 nan 0.000 0.526 344 H N 0.314 119.097 119.070 -0.478 0.000 2.363 344 H HA -0.072 4.484 4.556 0.000 0.000 0.301 344 H C 1.552 176.805 175.328 -0.127 0.000 1.074 344 H CA 0.911 56.653 56.048 -0.511 0.000 1.354 344 H CB 0.182 29.409 29.762 -0.892 0.000 1.397 344 H HN 0.395 nan 8.280 nan 0.000 0.516 345 D N 0.461 121.023 120.400 0.270 0.000 2.149 345 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 345 D C 2.060 178.508 176.300 0.247 0.000 0.990 345 D CA 0.666 54.891 54.000 0.375 0.000 0.839 345 D CB -0.175 40.811 40.800 0.310 0.000 0.948 345 D HN 0.206 nan 8.370 nan 0.000 0.460 346 L N -0.471 120.832 121.223 0.134 0.000 2.131 346 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 346 L C 2.065 178.972 176.870 0.061 0.000 1.087 346 L CA 1.238 56.126 54.840 0.081 0.000 0.767 346 L CB -0.582 41.483 42.059 0.009 0.000 0.917 346 L HN -0.023 nan 8.230 nan 0.000 0.441 347 Y N -0.706 119.496 120.300 -0.162 0.000 2.352 347 Y HA -0.179 4.371 4.550 -0.000 0.000 0.292 347 Y C 2.265 178.233 175.900 0.114 0.000 1.136 347 Y CA 1.292 59.255 58.100 -0.228 0.000 1.227 347 Y CB -0.083 37.800 38.460 -0.961 0.000 0.991 347 Y HN 0.127 nan 8.280 nan 0.000 0.545 348 L N -0.668 120.699 121.223 0.240 0.000 2.013 348 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 348 L C 2.221 179.331 176.870 0.400 0.000 1.073 348 L CA 1.778 56.855 54.840 0.395 0.000 0.753 348 L CB -0.590 41.691 42.059 0.370 0.000 0.890 348 L HN 0.329 nan 8.230 nan 0.000 0.432 349 L N -1.169 120.174 121.223 0.200 0.000 2.072 349 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 349 L C 2.819 179.672 176.870 -0.028 0.000 1.079 349 L CA 0.918 55.774 54.840 0.026 0.000 0.752 349 L CB -0.731 41.338 42.059 0.017 0.000 0.906 349 L HN 0.199 nan 8.230 nan 0.000 0.436 350 A N -0.486 122.314 122.820 -0.032 0.000 1.902 350 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 350 A C 2.209 179.741 177.584 -0.088 0.000 1.181 350 A CA 1.637 53.642 52.037 -0.053 0.000 0.623 350 A CB -0.847 18.118 19.000 -0.058 0.000 0.818 350 A HN 0.442 nan 8.150 nan 0.000 0.443 351 Y N 0.320 120.441 120.300 -0.299 0.000 2.184 351 Y HA 0.025 4.575 4.550 -0.000 0.000 0.290 351 Y C 2.681 178.571 175.900 -0.016 0.000 1.129 351 Y CA 1.065 59.064 58.100 -0.169 0.000 1.144 351 Y CB -0.477 37.900 38.460 -0.138 0.000 0.995 351 Y HN 0.305 nan 8.280 nan 0.000 0.513 352 A N -0.088 122.750 122.820 0.031 0.000 2.032 352 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 352 A C 1.665 179.059 177.584 -0.318 0.000 1.165 352 A CA 1.857 53.766 52.037 -0.214 0.000 0.645 352 A CB -0.930 17.967 19.000 -0.172 0.000 0.807 352 A HN 0.501 nan 8.150 nan 0.000 0.453 353 L N -0.109 120.960 121.223 -0.257 0.000 3.017 353 L HA 0.105 4.445 4.340 -0.000 0.000 0.255 353 L C 1.704 178.362 176.870 -0.353 0.000 1.247 353 L CA -0.534 54.124 54.840 -0.304 0.000 1.038 353 L CB -0.119 41.847 42.059 -0.154 0.000 1.380 353 L HN 0.805 nan 8.230 nan 0.000 0.548 354 W N 0.095 121.129 121.300 -0.444 0.000 2.331 354 W HA -0.110 4.550 4.660 -0.000 0.000 0.291 354 W C -1.383 174.854 176.519 -0.470 0.000 1.214 354 W CA 0.666 57.712 57.345 -0.499 0.000 1.228 354 W CB -2.019 27.025 29.460 -0.693 0.000 1.135 354 W HN 0.211 nan 8.180 nan 0.000 0.537 355 P HA -0.085 nan 4.420 nan 0.000 0.234 355 P C 1.602 178.614 177.300 -0.479 0.000 1.167 355 P CA 2.667 65.141 63.100 -1.043 0.000 0.763 355 P CB -0.388 30.524 31.700 -1.314 0.000 0.835 356 T N -5.131 109.212 114.554 -0.352 0.000 3.086 356 T HA 0.309 4.659 4.350 -0.000 0.000 0.250 356 T C 0.996 175.599 174.700 -0.161 0.000 1.074 356 T CA -0.132 61.866 62.100 -0.170 0.000 0.988 356 T CB -0.279 68.561 68.868 -0.046 0.000 0.988 356 T HN -0.024 nan 8.240 nan 0.000 0.530 357 G N 1.099 109.676 108.800 -0.372 0.000 2.557 357 G HA2 0.533 4.493 3.960 -0.000 0.000 0.302 357 G HA3 0.533 4.493 3.960 -0.000 0.000 0.302 357 G C -0.275 174.317 174.900 -0.514 0.000 1.311 357 G CA -1.237 43.451 45.100 -0.687 0.000 1.030 357 G HN 0.498 nan 8.290 nan 0.000 0.509 358 F N -1.339 118.194 119.950 -0.694 0.000 2.850 358 F HA 0.617 5.144 4.527 -0.000 0.000 0.329 358 F C -0.787 174.924 175.800 -0.148 0.000 1.182 358 F CA -1.522 56.321 58.000 -0.263 0.000 1.270 358 F CB -0.013 38.949 39.000 -0.064 0.000 0.979 358 F HN 0.273 nan 8.300 nan 0.000 0.506 359 F N -1.287 118.441 119.950 -0.370 0.000 2.668 359 F HA 0.749 5.276 4.527 -0.000 0.000 0.309 359 F C -0.792 174.870 175.800 -0.231 0.000 1.117 359 F CA -2.294 55.474 58.000 -0.387 0.000 0.951 359 F CB 1.134 39.757 39.000 -0.628 0.000 1.323 359 F HN -0.231 nan 8.300 nan 0.000 0.451 360 R N 1.819 122.326 120.500 0.012 0.000 2.312 360 R HA 0.752 5.092 4.340 -0.000 0.000 0.311 360 R C -1.144 175.195 176.300 0.065 0.000 1.004 360 R CA -0.582 55.488 56.100 -0.050 0.000 0.902 360 R CB 1.372 31.612 30.300 -0.099 0.000 1.073 360 R HN 0.622 nan 8.270 nan 0.000 0.457 361 L N 1.441 122.696 121.223 0.052 0.000 2.322 361 L HA 0.816 5.156 4.340 -0.000 0.000 0.269 361 L C -0.219 176.811 176.870 0.267 0.000 1.012 361 L CA -1.130 53.849 54.840 0.232 0.000 0.815 361 L CB 2.025 44.289 42.059 0.342 0.000 1.295 361 L HN 0.680 nan 8.230 nan 0.000 0.438 362 A N 1.962 124.996 122.820 0.358 0.000 2.386 362 A HA 0.702 5.022 4.320 -0.000 0.000 0.311 362 A C -0.802 176.895 177.584 0.190 0.000 1.068 362 A CA -0.590 51.609 52.037 0.270 0.000 0.743 362 A CB 1.244 20.350 19.000 0.176 0.000 1.258 362 A HN 0.613 nan 8.150 nan 0.000 0.429 363 L N 1.910 123.156 121.223 0.038 0.000 2.439 363 L HA 0.248 4.588 4.340 -0.000 0.000 0.269 363 L C -1.978 174.857 176.870 -0.059 0.000 1.179 363 L CA -1.526 53.212 54.840 -0.170 0.000 0.828 363 L CB 0.560 42.555 42.059 -0.108 0.000 1.106 363 L HN 0.451 nan 8.230 nan 0.000 0.467 364 P HA 0.013 nan 4.420 nan 0.000 0.267 364 P C -1.090 176.258 177.300 0.079 0.000 1.209 364 P CA -0.332 62.800 63.100 0.052 0.000 0.763 364 P CB 0.355 32.187 31.700 0.220 0.000 0.816 365 D N 2.036 122.461 120.400 0.043 0.000 2.414 365 D HA -0.008 4.632 4.640 -0.000 0.000 0.259 365 D C 1.163 177.507 176.300 0.073 0.000 1.269 365 D CA -0.155 53.873 54.000 0.046 0.000 1.028 365 D CB 0.243 41.044 40.800 0.003 0.000 1.093 365 D HN 0.142 nan 8.370 nan 0.000 0.545 366 Q N -0.452 119.387 119.800 0.066 0.000 2.050 366 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 366 Q C 1.935 177.966 176.000 0.052 0.000 0.980 366 Q CA 2.178 58.030 55.803 0.081 0.000 0.840 366 Q CB -0.421 28.355 28.738 0.063 0.000 0.898 366 Q HN 0.706 nan 8.270 nan 0.000 0.424 367 E N -0.340 119.865 120.200 0.009 0.000 2.118 367 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 367 E C 1.647 178.222 176.600 -0.042 0.000 0.992 367 E CA 1.285 57.675 56.400 -0.017 0.000 0.804 367 E CB 0.033 29.703 29.700 -0.049 0.000 0.741 367 E HN 0.545 nan 8.360 nan 0.000 0.458 368 E N -0.104 120.046 120.200 -0.082 0.000 2.072 368 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 368 E C 2.177 178.716 176.600 -0.102 0.000 0.982 368 E CA 0.944 57.234 56.400 -0.183 0.000 0.803 368 E CB -0.063 29.507 29.700 -0.217 0.000 0.755 368 E HN 0.340 nan 8.360 nan 0.000 0.453 369 M N 0.710 120.339 119.600 0.049 0.000 2.149 369 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 369 M C 1.988 178.323 176.300 0.058 0.000 1.064 369 M CA 1.524 56.878 55.300 0.089 0.000 1.102 369 M CB -0.266 32.574 32.600 0.400 0.000 1.369 369 M HN 0.107 nan 8.290 nan 0.000 0.408 370 E N -0.761 119.478 120.200 0.065 0.000 2.051 370 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 370 E C 1.630 178.242 176.600 0.021 0.000 0.991 370 E CA 1.552 57.983 56.400 0.051 0.000 0.799 370 E CB -0.284 29.439 29.700 0.040 0.000 0.748 370 E HN 0.584 nan 8.360 nan 0.000 0.449 371 W N 0.907 122.086 121.300 -0.202 0.000 2.335 371 W HA -0.227 4.433 4.660 -0.000 0.000 0.311 371 W C 1.783 178.149 176.519 -0.255 0.000 1.213 371 W CA 1.707 58.893 57.345 -0.265 0.000 1.274 371 W CB -0.553 28.661 29.460 -0.410 0.000 1.148 371 W HN -0.010 nan 8.180 nan 0.000 0.498 372 F N 0.447 120.288 119.950 -0.183 0.000 2.069 372 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 372 F C 2.516 178.125 175.800 -0.319 0.000 1.113 372 F CA 1.731 59.404 58.000 -0.545 0.000 1.214 372 F CB -0.805 37.186 39.000 -1.681 0.000 0.978 372 F HN -0.122 nan 8.300 nan 0.000 0.474 373 E N 0.692 120.930 120.200 0.063 0.000 2.153 373 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 373 E C 1.945 178.605 176.600 0.100 0.000 0.988 373 E CA 1.248 57.798 56.400 0.250 0.000 0.811 373 E CB -0.271 29.610 29.700 0.303 0.000 0.746 373 E HN 0.285 nan 8.360 nan 0.000 0.466 374 A N 0.399 123.186 122.820 -0.056 0.000 1.929 374 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 374 A C 1.901 179.344 177.584 -0.234 0.000 1.176 374 A CA 1.342 53.303 52.037 -0.127 0.000 0.628 374 A CB -0.310 18.588 19.000 -0.171 0.000 0.816 374 A HN 0.242 nan 8.150 nan 0.000 0.444 375 N N -1.744 116.697 118.700 -0.431 0.000 2.373 375 N HA 0.067 4.807 4.740 -0.000 0.000 0.181 375 N C -0.982 174.099 175.510 -0.716 0.000 1.082 375 N CA 0.604 53.250 53.050 -0.673 0.000 0.885 375 N CB 0.343 38.129 38.487 -1.169 0.000 0.977 375 N HN 0.546 nan 8.380 nan 0.000 0.462 376 Y N 0.075 120.275 120.300 -0.166 0.000 2.517 376 Y HA 0.348 4.898 4.550 -0.000 0.000 0.346 376 Y C -2.555 173.500 175.900 0.258 0.000 1.113 376 Y CA -2.030 56.006 58.100 -0.106 0.000 1.295 376 Y CB 1.248 39.511 38.460 -0.329 0.000 1.094 376 Y HN -0.144 nan 8.280 nan 0.000 0.608 377 P HA 0.077 nan 4.420 nan 0.000 0.260 377 P C 1.003 178.650 177.300 0.578 0.000 1.172 377 P CA 1.929 65.275 63.100 0.410 0.000 0.760 377 P CB 0.610 32.484 31.700 0.291 0.000 0.773 378 G N 2.348 111.446 108.800 0.496 0.000 2.179 378 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 378 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 378 G C 0.825 175.998 174.900 0.455 0.000 0.990 378 G CA 0.061 45.410 45.100 0.416 0.000 0.646 378 G HN 0.551 nan 8.290 nan 0.000 0.517 379 W N 0.376 121.960 121.300 0.474 0.000 2.358 379 W HA -0.013 4.647 4.660 0.000 0.000 0.303 379 W C 2.100 178.831 176.519 0.352 0.000 1.208 379 W CA 2.465 60.083 57.345 0.455 0.000 1.274 379 W CB -0.285 29.348 29.460 0.288 0.000 1.138 379 W HN 0.346 nan 8.180 nan 0.000 0.515 380 Y N 1.473 122.080 120.300 0.511 0.000 2.163 380 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 380 Y C 2.215 178.105 175.900 -0.016 0.000 1.136 380 Y CA 2.452 60.712 58.100 0.267 0.000 1.147 380 Y CB -0.690 37.989 38.460 0.366 0.000 0.987 380 Y HN -0.148 nan 8.280 nan 0.000 0.509 381 D N -1.426 119.033 120.400 0.098 0.000 2.309 381 D HA -0.156 4.484 4.640 -0.000 0.000 0.212 381 D C 1.290 177.434 176.300 -0.259 0.000 0.968 381 D CA 1.598 55.562 54.000 -0.061 0.000 0.882 381 D CB -0.062 40.776 40.800 0.063 0.000 0.918 381 D HN 0.556 nan 8.370 nan 0.000 0.503 382 H N -1.277 117.505 119.070 -0.479 0.000 2.334 382 H HA 0.050 4.606 4.556 -0.000 0.000 0.307 382 H C 1.537 176.277 175.328 -0.980 0.000 1.092 382 H CA 0.730 56.334 56.048 -0.739 0.000 1.567 382 H CB -0.140 29.055 29.762 -0.945 0.000 1.505 382 H HN -0.069 nan 8.280 nan 0.000 0.637 383 Y N 0.073 119.822 120.300 -0.917 0.000 2.153 383 Y HA 0.059 4.609 4.550 0.000 0.000 0.289 383 Y C 2.785 177.930 175.900 -1.259 0.000 1.127 383 Y CA 0.986 58.351 58.100 -1.224 0.000 1.131 383 Y CB -0.852 36.833 38.460 -1.292 0.000 0.995 383 Y HN 0.388 nan 8.280 nan 0.000 0.505 384 G N 0.743 108.827 108.800 -1.194 0.000 2.553 384 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 384 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 384 G C 1.601 176.065 174.900 -0.726 0.000 1.195 384 G CA 1.534 46.181 45.100 -0.756 0.000 0.779 384 G HN 0.339 nan 8.290 nan 0.000 0.577 385 K N -0.099 119.732 120.400 -0.949 0.000 2.152 385 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 385 K C 2.469 178.675 176.600 -0.656 0.000 1.048 385 K CA 1.020 56.892 56.287 -0.692 0.000 0.933 385 K CB -0.219 31.939 32.500 -0.571 0.000 0.721 385 K HN 0.396 nan 8.250 nan 0.000 0.447 386 I N -0.317 119.695 120.570 -0.931 0.000 2.233 386 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 386 I C 1.910 177.186 176.117 -1.401 0.000 1.093 386 I CA 1.338 61.838 61.300 -1.333 0.000 1.380 386 I CB -0.327 36.602 38.000 -1.784 0.000 1.067 386 I HN 0.138 nan 8.210 nan 0.000 0.413 387 Y N 1.164 120.900 120.300 -0.941 0.000 2.224 387 Y HA -0.259 4.291 4.550 0.000 0.000 0.289 387 Y C 2.595 178.321 175.900 -0.290 0.000 1.146 387 Y CA 1.198 58.957 58.100 -0.568 0.000 1.182 387 Y CB -0.220 38.075 38.460 -0.276 0.000 0.983 387 Y HN 0.180 nan 8.280 nan 0.000 0.524 388 E N -0.135 119.986 120.200 -0.133 0.000 2.077 388 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 388 E C 2.015 178.574 176.600 -0.069 0.000 0.989 388 E CA 1.323 57.696 56.400 -0.045 0.000 0.800 388 E CB -0.047 29.625 29.700 -0.046 0.000 0.746 388 E HN 0.311 nan 8.360 nan 0.000 0.452 389 E N 0.214 120.292 120.200 -0.203 0.000 2.051 389 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 389 E C 1.538 178.130 176.600 -0.013 0.000 0.991 389 E CA 1.254 57.564 56.400 -0.150 0.000 0.799 389 E CB -0.253 29.291 29.700 -0.259 0.000 0.748 389 E HN 0.293 nan 8.360 nan 0.000 0.449 390 W N 1.004 122.200 121.300 -0.174 0.000 2.342 390 W HA -0.075 4.585 4.660 -0.000 0.000 0.297 390 W C 2.534 179.079 176.519 0.042 0.000 1.213 390 W CA 1.317 58.651 57.345 -0.017 0.000 1.251 390 W CB -1.073 28.490 29.460 0.171 0.000 1.136 390 W HN 0.231 nan 8.180 nan 0.000 0.526 391 R N 0.617 121.280 120.500 0.271 0.000 2.115 391 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 391 R C 2.255 178.616 176.300 0.101 0.000 1.100 391 R CA 1.714 57.935 56.100 0.202 0.000 0.980 391 R CB -0.568 29.827 30.300 0.159 0.000 0.875 391 R HN -0.056 nan 8.270 nan 0.000 0.445 392 A N 0.930 123.776 122.820 0.043 0.000 1.972 392 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 392 A C 1.842 179.393 177.584 -0.056 0.000 1.169 392 A CA 0.988 53.025 52.037 -0.001 0.000 0.635 392 A CB -0.315 18.677 19.000 -0.014 0.000 0.810 392 A HN 0.198 nan 8.150 nan 0.000 0.446 393 R N -1.120 119.279 120.500 -0.168 0.000 2.280 393 R HA 0.029 4.369 4.340 -0.000 0.000 0.207 393 R C 1.311 177.487 176.300 -0.207 0.000 1.043 393 R CA 0.794 56.640 56.100 -0.423 0.000 1.006 393 R CB -0.768 28.741 30.300 -1.319 0.000 0.885 393 R HN 0.913 nan 8.270 nan 0.000 0.467 394 G N 0.747 109.562 108.800 0.026 0.000 2.130 394 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 394 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 394 G C 1.128 176.286 174.900 0.430 0.000 0.999 394 G CA 0.328 45.542 45.100 0.190 0.000 0.686 394 G HN 0.442 nan 8.290 nan 0.000 0.515 395 C N -0.879 118.757 119.300 0.560 0.000 2.403 395 C HA 0.039 4.499 4.460 -0.000 0.000 0.282 395 C C 2.127 177.464 174.990 0.579 0.000 1.297 395 C CA 1.921 61.373 59.018 0.725 0.000 1.785 395 C CB -0.735 27.450 27.740 0.741 0.000 1.963 395 C HN 0.645 nan 8.230 nan 0.000 0.507 396 E N 0.826 121.317 120.200 0.485 0.000 2.190 396 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 396 E C 0.177 177.144 176.600 0.611 0.000 0.978 396 E CA 0.545 57.226 56.400 0.468 0.000 0.839 396 E CB -0.082 29.791 29.700 0.288 0.000 0.787 396 E HN 0.722 nan 8.360 nan 0.000 0.473 397 D N 0.729 121.369 120.400 0.399 0.000 2.277 397 D HA 0.047 4.687 4.640 -0.000 0.000 0.249 397 D C -1.936 174.220 176.300 -0.240 0.000 1.134 397 D CA -2.324 51.746 54.000 0.118 0.000 0.863 397 D CB 1.568 42.392 40.800 0.041 0.000 1.143 397 D HN -0.281 nan 8.370 nan 0.000 0.458 398 P HA -0.146 nan 4.420 nan 0.000 0.216 398 P C 1.012 177.799 177.300 -0.856 0.000 1.150 398 P CA 1.186 63.241 63.100 -1.741 0.000 0.837 398 P CB 0.061 31.091 31.700 -1.117 0.000 0.786 399 S N -1.024 114.426 115.700 -0.417 0.000 2.515 399 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 399 S C 1.924 176.460 174.600 -0.108 0.000 0.987 399 S CA 0.932 59.005 58.200 -0.212 0.000 0.936 399 S CB -1.460 61.661 63.200 -0.131 0.000 0.766 399 S HN 0.230 nan 8.310 nan 0.000 0.528 400 S N 1.564 117.223 115.700 -0.069 0.000 2.419 400 S HA 0.165 4.635 4.470 -0.000 0.000 0.233 400 S C 1.834 176.522 174.600 0.145 0.000 1.016 400 S CA 0.776 59.024 58.200 0.081 0.000 0.974 400 S CB -1.428 61.898 63.200 0.209 0.000 0.786 400 S HN 1.581 nan 8.310 nan 0.000 0.492 401 G N 0.729 109.607 108.800 0.129 0.000 2.176 401 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 401 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 401 G C -0.289 174.796 174.900 0.309 0.000 1.024 401 G CA 0.369 45.571 45.100 0.170 0.000 0.755 401 G HN 0.775 nan 8.290 nan 0.000 0.507 402 F N -0.458 119.654 119.950 0.270 0.000 2.540 402 F HA 0.807 5.334 4.527 -0.000 0.000 0.317 402 F C -0.859 175.125 175.800 0.307 0.000 1.104 402 F CA -1.899 56.249 58.000 0.246 0.000 0.913 402 F CB 1.515 40.643 39.000 0.213 0.000 1.170 402 F HN -0.021 nan 8.300 nan 0.000 0.450 403 I N 7.969 128.015 120.570 -0.874 0.000 2.569 403 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 403 I C -1.943 173.396 176.117 -1.297 0.000 1.088 403 I CA -2.652 58.186 61.300 -0.769 0.000 1.047 403 I CB 2.554 40.231 38.000 -0.539 0.000 1.237 403 I HN 0.390 nan 8.210 nan 0.000 0.421 404 P HA -0.208 nan 4.420 nan 0.000 0.218 404 P C 1.724 178.786 177.300 -0.397 0.000 1.146 404 P CA 0.980 63.471 63.100 -1.015 0.000 0.820 404 P CB 0.199 31.128 31.700 -1.285 0.000 0.778 405 L N -1.177 119.825 121.223 -0.368 0.000 2.043 405 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 405 L C 2.170 179.035 176.870 -0.009 0.000 1.075 405 L CA 1.988 56.732 54.840 -0.159 0.000 0.752 405 L CB -1.188 40.692 42.059 -0.298 0.000 0.891 405 L HN -0.049 nan 8.230 nan 0.000 0.432 406 M N -2.437 117.067 119.600 -0.160 0.000 2.144 406 M HA -0.277 4.203 4.480 -0.000 0.000 0.260 406 M C 2.143 178.541 176.300 0.163 0.000 1.067 406 M CA 2.322 57.600 55.300 -0.036 0.000 1.095 406 M CB -0.830 31.727 32.600 -0.073 0.000 1.365 406 M HN 0.522 nan 8.290 nan 0.000 0.406 407 W N 0.724 122.085 121.300 0.101 0.000 2.358 407 W HA -0.198 4.462 4.660 -0.000 0.000 0.303 407 W C 1.637 178.235 176.519 0.131 0.000 1.208 407 W CA 1.503 58.980 57.345 0.221 0.000 1.274 407 W CB -0.368 29.327 29.460 0.392 0.000 1.138 407 W HN 0.053 nan 8.180 nan 0.000 0.515 408 F N 0.173 120.247 119.950 0.207 0.000 2.216 408 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 408 F C 2.210 177.907 175.800 -0.171 0.000 1.085 408 F CA 1.577 59.590 58.000 0.022 0.000 1.326 408 F CB -0.863 38.208 39.000 0.119 0.000 1.027 408 F HN -0.152 nan 8.300 nan 0.000 0.497 409 I N -0.237 120.355 120.570 0.036 0.000 2.162 409 I HA -0.242 3.928 4.170 -0.000 0.000 0.238 409 I C 2.261 178.281 176.117 -0.162 0.000 1.076 409 I CA 1.353 62.606 61.300 -0.079 0.000 1.353 409 I CB -0.561 37.397 38.000 -0.070 0.000 1.063 409 I HN 0.068 nan 8.210 nan 0.000 0.408 410 E N 0.896 121.004 120.200 -0.154 0.000 2.114 410 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 410 E C 1.267 177.668 176.600 -0.331 0.000 1.008 410 E CA 1.324 57.608 56.400 -0.193 0.000 0.810 410 E CB -0.158 29.467 29.700 -0.126 0.000 0.739 410 E HN 0.485 nan 8.360 nan 0.000 0.456 411 N N 1.053 119.423 118.700 -0.550 0.000 2.276 411 N HA -0.035 4.705 4.740 -0.000 0.000 0.212 411 N C -0.376 174.632 175.510 -0.837 0.000 1.127 411 N CA -0.046 52.564 53.050 -0.733 0.000 0.834 411 N CB 0.142 37.974 38.487 -1.092 0.000 1.014 411 N HN 0.176 nan 8.380 nan 0.000 0.491 412 N N 1.627 120.012 118.700 -0.526 0.000 2.650 412 N HA -0.226 4.514 4.740 -0.000 0.000 0.272 412 N C -1.470 173.770 175.510 -0.451 0.000 1.058 412 N CA 0.884 53.693 53.050 -0.402 0.000 0.765 412 N CB -1.295 37.001 38.487 -0.317 0.000 0.902 412 N HN 0.508 nan 8.380 nan 0.000 0.551 413 H N 0.895 119.885 119.070 -0.133 0.000 2.716 413 H HA 0.313 4.869 4.556 -0.000 0.000 0.260 413 H C -2.102 173.236 175.328 0.016 0.000 1.280 413 H CA -1.394 54.634 56.048 -0.033 0.000 1.506 413 H CB 1.151 30.895 29.762 -0.030 0.000 1.514 413 H HN 0.279 nan 8.280 nan 0.000 0.502 414 P HA 0.047 nan 4.420 nan 0.000 0.271 414 P C -0.139 176.848 177.300 -0.522 0.000 1.218 414 P CA 0.116 63.013 63.100 -0.338 0.000 0.780 414 P CB 1.729 33.163 31.700 -0.444 0.000 0.901 415 I N 3.061 123.239 120.570 -0.652 0.000 2.354 415 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 415 I C 0.065 175.781 176.117 -0.669 0.000 0.989 415 I CA -0.796 60.186 61.300 -0.529 0.000 1.188 415 I CB 0.682 38.524 38.000 -0.263 0.000 1.342 415 I HN 0.318 nan 8.210 nan 0.000 0.457 416 Y N 5.626 125.705 120.300 -0.369 0.000 2.602 416 Y HA 0.574 5.124 4.550 -0.000 0.000 0.330 416 Y C 0.038 175.900 175.900 -0.063 0.000 1.114 416 Y CA -1.121 56.779 58.100 -0.335 0.000 1.182 416 Y CB 1.659 39.663 38.460 -0.760 0.000 1.305 416 Y HN 0.224 nan 8.280 nan 0.000 0.502 417 I N 1.227 121.992 120.570 0.325 0.000 2.436 417 I HA 0.108 4.278 4.170 -0.000 0.000 0.289 417 I C -0.835 175.487 176.117 0.342 0.000 1.010 417 I CA -0.922 60.555 61.300 0.294 0.000 1.098 417 I CB 1.359 39.400 38.000 0.067 0.000 1.266 417 I HN 0.655 nan 8.210 nan 0.000 0.434 418 D N 4.543 125.135 120.400 0.320 0.000 2.342 418 D HA 0.040 4.680 4.640 -0.000 0.000 0.260 418 D C 1.420 177.693 176.300 -0.045 0.000 1.278 418 D CA -0.018 54.017 54.000 0.059 0.000 0.910 418 D CB 0.721 41.481 40.800 -0.067 0.000 1.079 418 D HN 0.366 nan 8.370 nan 0.000 0.496 419 R N 2.964 123.346 120.500 -0.197 0.000 2.204 419 R HA -0.171 4.169 4.340 -0.000 0.000 0.253 419 R C 0.954 177.245 176.300 -0.015 0.000 1.172 419 R CA 1.757 57.762 56.100 -0.158 0.000 0.994 419 R CB -0.429 29.630 30.300 -0.403 0.000 0.874 419 R HN 0.455 nan 8.270 nan 0.000 0.462 420 V N -0.898 118.992 119.914 -0.039 0.000 2.398 420 V HA -0.075 4.045 4.120 -0.000 0.000 0.236 420 V C 2.054 178.140 176.094 -0.012 0.000 1.054 420 V CA 1.598 63.842 62.300 -0.094 0.000 1.060 420 V CB -0.265 31.434 31.823 -0.207 0.000 0.707 420 V HN 0.589 nan 8.190 nan 0.000 0.480 421 S N -1.122 114.579 115.700 0.002 0.000 2.489 421 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 421 S C 1.211 175.781 174.600 -0.049 0.000 0.995 421 S CA 0.758 58.952 58.200 -0.009 0.000 0.934 421 S CB -0.078 63.139 63.200 0.028 0.000 0.771 421 S HN 0.570 nan 8.310 nan 0.000 0.522 422 Q N -1.057 118.728 119.800 -0.026 0.000 2.374 422 Q HA -0.125 4.215 4.340 -0.000 0.000 0.218 422 Q C -0.263 175.754 176.000 0.028 0.000 0.691 422 Q CA 0.910 56.691 55.803 -0.037 0.000 1.340 422 Q CB -2.824 25.835 28.738 -0.131 0.000 1.498 422 Q HN 0.580 nan 8.270 nan 0.000 0.739 423 V N 2.960 122.919 119.914 0.074 0.000 2.479 423 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 423 V C -1.827 174.399 176.094 0.221 0.000 1.031 423 V CA -0.786 61.589 62.300 0.125 0.000 1.038 423 V CB 0.718 32.590 31.823 0.082 0.000 0.981 423 V HN -0.025 nan 8.190 nan 0.000 0.478 424 P HA 0.323 nan 4.420 nan 0.000 0.271 424 P C -0.959 176.579 177.300 0.396 0.000 1.216 424 P CA 0.031 63.284 63.100 0.256 0.000 0.771 424 P CB 0.349 32.117 31.700 0.113 0.000 0.864 425 F N 0.658 120.689 119.950 0.136 0.000 2.619 425 F HA 0.580 5.107 4.527 -0.000 0.000 0.308 425 F C -1.473 174.444 175.800 0.196 0.000 1.097 425 F CA -1.777 56.319 58.000 0.162 0.000 0.953 425 F CB 0.626 39.728 39.000 0.170 0.000 1.287 425 F HN 0.278 nan 8.300 nan 0.000 0.446 426 C N 6.359 125.784 119.300 0.207 0.000 2.621 426 C HA 0.448 4.908 4.460 -0.000 0.000 0.272 426 C C -1.004 174.115 174.990 0.216 0.000 1.119 426 C CA -1.739 57.361 59.018 0.137 0.000 1.593 426 C CB -0.256 27.627 27.740 0.238 0.000 1.749 426 C HN 0.750 nan 8.230 nan 0.000 0.420 427 P HA -0.157 nan 4.420 nan 0.000 0.218 427 P C 1.318 178.729 177.300 0.186 0.000 1.146 427 P CA 1.906 65.179 63.100 0.287 0.000 0.813 427 P CB 0.072 31.971 31.700 0.331 0.000 0.778 428 S N -2.232 113.569 115.700 0.168 0.000 2.527 428 S HA 0.029 4.499 4.470 -0.000 0.000 0.222 428 S C 1.653 176.257 174.600 0.007 0.000 0.985 428 S CA 0.237 58.517 58.200 0.133 0.000 0.921 428 S CB -0.588 62.765 63.200 0.254 0.000 0.772 428 S HN 0.035 nan 8.310 nan 0.000 0.529 429 L N 0.416 121.625 121.223 -0.023 0.000 2.948 429 L HA 0.591 4.931 4.340 -0.000 0.000 0.259 429 L C 1.072 177.966 176.870 0.040 0.000 1.136 429 L CA 0.188 54.974 54.840 -0.089 0.000 0.959 429 L CB -0.140 41.778 42.059 -0.236 0.000 1.370 429 L HN 0.327 nan 8.230 nan 0.000 0.552 430 A N -0.143 122.732 122.820 0.092 0.000 2.521 430 A HA 0.079 4.399 4.320 -0.000 0.000 0.237 430 A C 1.073 178.635 177.584 -0.035 0.000 1.087 430 A CA 0.587 52.692 52.037 0.113 0.000 0.777 430 A CB 0.142 19.263 19.000 0.201 0.000 1.035 430 A HN 0.291 nan 8.150 nan 0.000 0.510 431 K N 0.109 120.490 120.400 -0.032 0.000 2.477 431 K HA 0.209 4.529 4.320 -0.000 0.000 0.208 431 K C 1.041 177.703 176.600 0.103 0.000 1.117 431 K CA 0.534 56.696 56.287 -0.209 0.000 1.039 431 K CB 0.465 32.547 32.500 -0.697 0.000 0.937 431 K HN 0.846 nan 8.250 nan 0.000 0.570 432 G N 0.470 109.403 108.800 0.221 0.000 3.411 432 G HA2 0.334 4.294 3.960 -0.000 0.000 0.186 432 G HA3 0.334 4.294 3.960 -0.000 0.000 0.186 432 G C -0.487 174.551 174.900 0.229 0.000 1.766 432 G CA -0.097 45.177 45.100 0.289 0.000 0.971 432 G HN 0.147 nan 8.290 nan 0.000 0.590 433 A N 0.771 123.727 122.820 0.226 0.000 3.016 433 A HA 0.498 4.818 4.320 -0.000 0.000 0.303 433 A C 1.126 178.819 177.584 0.181 0.000 1.507 433 A CA 0.401 52.562 52.037 0.206 0.000 1.196 433 A CB -0.395 18.755 19.000 0.249 0.000 1.169 433 A HN 0.960 nan 8.150 nan 0.000 0.544 434 S N 0.636 116.442 115.700 0.178 0.000 2.942 434 S HA 0.027 4.497 4.470 -0.000 0.000 0.244 434 S C 0.578 175.287 174.600 0.182 0.000 1.011 434 S CA 0.314 58.638 58.200 0.207 0.000 1.102 434 S CB -1.229 62.069 63.200 0.163 0.000 0.812 434 S HN 0.723 nan 8.310 nan 0.000 0.486 435 T N 1.171 115.808 114.554 0.138 0.000 3.162 435 T HA 0.474 4.824 4.350 -0.000 0.000 0.316 435 T C -0.153 174.606 174.700 0.098 0.000 1.182 435 T CA -0.830 61.325 62.100 0.092 0.000 1.015 435 T CB -0.015 68.875 68.868 0.038 0.000 1.089 435 T HN 0.350 nan 8.240 nan 0.000 0.646 436 L N 3.069 124.386 121.223 0.157 0.000 2.416 436 L HA 0.556 4.896 4.340 -0.000 0.000 0.272 436 L C -0.207 176.677 176.870 0.023 0.000 1.161 436 L CA 0.111 55.048 54.840 0.162 0.000 0.845 436 L CB 0.292 42.433 42.059 0.137 0.000 1.119 436 L HN 0.498 nan 8.230 nan 0.000 0.464 437 R N 3.671 124.153 120.500 -0.030 0.000 2.514 437 R HA 0.681 5.021 4.340 -0.000 0.000 0.296 437 R C -1.557 174.610 176.300 -0.221 0.000 1.012 437 R CA -0.574 55.452 56.100 -0.123 0.000 0.897 437 R CB 2.131 32.325 30.300 -0.177 0.000 1.184 437 R HN 0.453 nan 8.270 nan 0.000 0.440 438 V N 3.338 123.089 119.914 -0.272 0.000 2.409 438 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 438 V C -0.360 175.687 176.094 -0.079 0.000 1.020 438 V CA -0.725 61.364 62.300 -0.352 0.000 0.848 438 V CB 1.387 32.793 31.823 -0.695 0.000 0.990 438 V HN 0.770 nan 8.190 nan 0.000 0.430 439 H N 2.478 121.494 119.070 -0.089 0.000 2.679 439 H HA 0.581 5.137 4.556 -0.000 0.000 0.367 439 H C -0.788 174.541 175.328 0.002 0.000 1.162 439 H CA -0.761 55.283 56.048 -0.006 0.000 1.181 439 H CB 2.816 32.606 29.762 0.047 0.000 1.693 439 H HN 0.621 nan 8.280 nan 0.000 0.538 440 E N 2.180 122.501 120.200 0.201 0.000 2.199 440 E HA 0.241 4.591 4.350 -0.000 0.000 0.269 440 E C -1.831 174.970 176.600 0.334 0.000 0.899 440 E CA -0.812 55.688 56.400 0.167 0.000 0.772 440 E CB 2.043 31.797 29.700 0.091 0.000 1.155 440 E HN 0.545 nan 8.360 nan 0.000 0.408 441 Y N 4.215 124.648 120.300 0.220 0.000 2.399 441 Y HA 0.165 4.715 4.550 -0.000 0.000 0.327 441 Y C -0.142 175.903 175.900 0.240 0.000 1.111 441 Y CA -0.618 57.660 58.100 0.297 0.000 1.047 441 Y CB 1.157 39.960 38.460 0.572 0.000 1.259 441 Y HN 0.847 nan 8.280 nan 0.000 0.434 442 N N 4.442 122.945 118.700 -0.328 0.000 2.699 442 N HA -0.244 4.496 4.740 -0.000 0.000 0.256 442 N C 0.713 176.206 175.510 -0.028 0.000 0.993 442 N CA 1.205 54.116 53.050 -0.231 0.000 0.759 442 N CB -0.873 37.430 38.487 -0.307 0.000 0.906 442 N HN 1.519 nan 8.380 nan 0.000 0.541 443 G N -0.418 108.381 108.800 -0.002 0.000 2.143 443 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.248 443 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.248 443 G C -0.277 174.637 174.900 0.022 0.000 0.991 443 G CA 0.761 45.870 45.100 0.014 0.000 0.689 443 G HN 0.781 nan 8.290 nan 0.000 0.522 444 E N -0.415 119.806 120.200 0.035 0.000 2.356 444 E HA 0.726 5.076 4.350 -0.000 0.000 0.275 444 E C -0.044 176.424 176.600 -0.220 0.000 0.904 444 E CA -1.039 55.318 56.400 -0.071 0.000 0.757 444 E CB 0.758 30.443 29.700 -0.024 0.000 1.232 444 E HN 0.032 nan 8.360 nan 0.000 0.442 445 M N 3.256 122.654 119.600 -0.337 0.000 2.300 445 M HA 0.376 4.856 4.480 -0.000 0.000 0.348 445 M C -0.774 175.138 176.300 -0.647 0.000 1.151 445 M CA -0.437 54.649 55.300 -0.358 0.000 1.046 445 M CB 1.182 33.653 32.600 -0.215 0.000 1.647 445 M HN 0.518 nan 8.290 nan 0.000 0.451 446 H N 1.223 120.122 119.070 -0.286 0.000 2.667 446 H HA 0.476 5.032 4.556 -0.000 0.000 0.353 446 H C -0.392 174.466 175.328 -0.783 0.000 1.072 446 H CA -0.468 55.227 56.048 -0.588 0.000 1.214 446 H CB 1.753 31.002 29.762 -0.856 0.000 1.600 446 H HN 0.612 nan 8.280 nan 0.000 0.527 447 T N 0.877 114.968 114.554 -0.772 0.000 2.792 447 T HA 0.658 5.008 4.350 -0.000 0.000 0.280 447 T C -0.508 173.716 174.700 -0.792 0.000 0.990 447 T CA -0.668 61.049 62.100 -0.637 0.000 0.960 447 T CB 0.517 69.191 68.868 -0.323 0.000 0.939 447 T HN 0.182 nan 8.240 nan 0.000 0.439 448 F N 1.202 121.050 119.950 -0.171 0.000 2.556 448 F HA 0.589 5.116 4.527 -0.000 0.000 0.327 448 F C 1.394 177.023 175.800 -0.285 0.000 1.059 448 F CA -1.268 56.602 58.000 -0.216 0.000 0.953 448 F CB 2.292 41.122 39.000 -0.282 0.000 1.227 448 F HN 0.707 nan 8.300 nan 0.000 0.478 449 S N -1.805 113.698 115.700 -0.328 0.000 2.540 449 S HA 0.231 4.701 4.470 -0.000 0.000 0.222 449 S C -0.458 174.059 174.600 -0.138 0.000 1.008 449 S CA -0.168 57.699 58.200 -0.555 0.000 0.939 449 S CB -0.412 62.056 63.200 -1.221 0.000 0.865 449 S HN 0.718 nan 8.310 nan 0.000 0.499 450 D N 0.502 120.873 120.400 -0.048 0.000 2.615 450 D HA 0.082 4.722 4.640 -0.000 0.000 0.267 450 D C 0.284 176.436 176.300 -0.246 0.000 1.236 450 D CA -0.605 53.355 54.000 -0.066 0.000 0.839 450 D CB 0.898 41.770 40.800 0.120 0.000 1.380 450 D HN 0.151 nan 8.370 nan 0.000 0.433 451 Q N -0.584 118.924 119.800 -0.487 0.000 2.311 451 Q HA -0.020 4.320 4.340 -0.000 0.000 0.203 451 Q C 0.987 176.542 176.000 -0.741 0.000 0.954 451 Q CA 0.762 56.172 55.803 -0.656 0.000 0.885 451 Q CB -0.166 28.071 28.738 -0.836 0.000 0.963 451 Q HN 0.622 nan 8.270 nan 0.000 0.471 452 W N 1.479 122.493 121.300 -0.477 0.000 2.452 452 W HA 0.173 4.833 4.660 0.000 0.000 0.313 452 W C 2.581 178.884 176.519 -0.359 0.000 1.176 452 W CA 0.581 57.579 57.345 -0.578 0.000 1.350 452 W CB -0.701 27.959 29.460 -1.335 0.000 1.148 452 W HN 0.254 nan 8.180 nan 0.000 0.498 453 G N 0.175 108.945 108.800 -0.049 0.000 2.432 453 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 453 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 453 G C 1.332 176.201 174.900 -0.052 0.000 1.135 453 G CA 1.229 46.368 45.100 0.065 0.000 0.767 453 G HN 0.361 nan 8.290 nan 0.000 0.550 454 E N 0.231 120.286 120.200 -0.243 0.000 2.072 454 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 454 E C 2.460 178.854 176.600 -0.343 0.000 0.985 454 E CA 0.773 56.787 56.400 -0.644 0.000 0.801 454 E CB -0.160 29.133 29.700 -0.678 0.000 0.750 454 E HN 0.448 nan 8.360 nan 0.000 0.452 455 R N 0.024 120.405 120.500 -0.198 0.000 2.096 455 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 455 R C 2.373 178.669 176.300 -0.006 0.000 1.127 455 R CA 1.562 57.610 56.100 -0.086 0.000 0.968 455 R CB -0.144 30.131 30.300 -0.041 0.000 0.861 455 R HN 0.244 nan 8.270 nan 0.000 0.440 456 M N -0.902 118.712 119.600 0.024 0.000 2.065 456 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 456 M C 2.045 178.425 176.300 0.133 0.000 1.069 456 M CA 2.104 57.460 55.300 0.094 0.000 1.110 456 M CB -0.530 32.091 32.600 0.035 0.000 1.328 456 M HN 0.340 nan 8.290 nan 0.000 0.405 457 W N 0.970 122.199 121.300 -0.119 0.000 2.381 457 W HA -0.145 4.515 4.660 -0.000 0.000 0.301 457 W C 1.822 178.297 176.519 -0.072 0.000 1.205 457 W CA 1.247 58.585 57.345 -0.011 0.000 1.285 457 W CB -0.185 29.321 29.460 0.076 0.000 1.133 457 W HN 0.051 nan 8.180 nan 0.000 0.521 458 L N 0.419 121.727 121.223 0.142 0.000 2.079 458 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 458 L C 2.594 179.339 176.870 -0.208 0.000 1.081 458 L CA 1.530 56.348 54.840 -0.037 0.000 0.752 458 L CB -1.062 41.014 42.059 0.028 0.000 0.896 458 L HN 0.151 nan 8.230 nan 0.000 0.433 459 A N -0.693 122.057 122.820 -0.116 0.000 1.984 459 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 459 A C 1.022 178.531 177.584 -0.125 0.000 1.173 459 A CA 0.607 52.588 52.037 -0.093 0.000 0.673 459 A CB 0.048 19.040 19.000 -0.014 0.000 0.830 459 A HN 0.395 nan 8.150 nan 0.000 0.453 460 E N -0.683 119.444 120.200 -0.122 0.000 3.786 460 E HA 0.188 4.538 4.350 -0.000 0.000 0.215 460 E C -2.241 174.214 176.600 -0.241 0.000 1.188 460 E CA -1.663 54.664 56.400 -0.121 0.000 1.248 460 E CB 1.125 30.833 29.700 0.013 0.000 1.260 460 E HN 0.236 nan 8.360 nan 0.000 0.426 461 P HA -0.291 nan 4.420 nan 0.000 0.216 461 P C 1.435 178.505 177.300 -0.383 0.000 1.157 461 P CA 1.292 63.864 63.100 -0.880 0.000 0.880 461 P CB 0.228 31.395 31.700 -0.888 0.000 0.791 462 E N 0.503 120.559 120.200 -0.240 0.000 2.409 462 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 462 E C 1.503 178.008 176.600 -0.158 0.000 1.024 462 E CA 1.094 57.414 56.400 -0.134 0.000 0.861 462 E CB -0.639 29.002 29.700 -0.099 0.000 0.788 462 E HN 0.305 nan 8.360 nan 0.000 0.521 463 R N -0.566 119.774 120.500 -0.266 0.000 2.276 463 R HA 0.090 4.429 4.340 -0.000 0.000 0.196 463 R C 0.100 176.004 176.300 -0.659 0.000 0.961 463 R CA 0.397 56.200 56.100 -0.495 0.000 1.024 463 R CB 0.158 30.019 30.300 -0.732 0.000 0.940 463 R HN 0.162 nan 8.270 nan 0.000 0.480 464 Y N 0.409 120.723 120.300 0.024 0.000 2.705 464 Y HA 0.267 4.817 4.550 -0.000 0.000 0.355 464 Y C -0.003 176.003 175.900 0.176 0.000 1.039 464 Y CA -0.589 57.584 58.100 0.122 0.000 1.233 464 Y CB 1.027 39.638 38.460 0.252 0.000 1.103 464 Y HN -0.051 nan 8.280 nan 0.000 0.624 465 E N 0.342 120.666 120.200 0.207 0.000 2.693 465 E HA 0.108 4.458 4.350 -0.000 0.000 0.214 465 E C -0.285 176.400 176.600 0.141 0.000 0.990 465 E CA -0.222 56.301 56.400 0.205 0.000 1.047 465 E CB 0.565 30.350 29.700 0.141 0.000 1.039 465 E HN 0.434 nan 8.360 nan 0.000 0.475 466 C N 4.562 123.935 119.300 0.121 0.000 2.616 466 C HA -0.023 4.437 4.460 -0.000 0.000 0.402 466 C C 0.862 175.866 174.990 0.022 0.000 1.436 466 C CA -0.395 58.650 59.018 0.044 0.000 1.521 466 C CB -0.860 26.890 27.740 0.018 0.000 2.413 466 C HN 0.327 nan 8.230 nan 0.000 0.617 467 Q N 4.790 124.587 119.800 -0.005 0.000 2.332 467 Q HA 0.175 4.515 4.340 -0.000 0.000 0.263 467 Q C 0.072 176.006 176.000 -0.111 0.000 0.979 467 Q CA 0.067 55.849 55.803 -0.035 0.000 0.885 467 Q CB 0.422 29.140 28.738 -0.033 0.000 1.218 467 Q HN 0.874 nan 8.270 nan 0.000 0.405 468 N N 1.547 120.166 118.700 -0.134 0.000 2.434 468 N HA 0.112 4.852 4.740 -0.000 0.000 0.266 468 N C 1.176 176.427 175.510 -0.432 0.000 1.223 468 N CA -0.436 52.468 53.050 -0.244 0.000 0.972 468 N CB 0.640 39.017 38.487 -0.184 0.000 1.207 468 N HN 0.754 nan 8.380 nan 0.000 0.525 469 I N -3.231 116.921 120.570 -0.696 0.000 2.248 469 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 469 I C 1.289 176.780 176.117 -1.043 0.000 1.107 469 I CA 1.377 61.972 61.300 -1.174 0.000 1.373 469 I CB -0.575 36.673 38.000 -1.254 0.000 1.055 469 I HN 0.377 nan 8.210 nan 0.000 0.418 470 F N 1.554 121.241 119.950 -0.437 0.000 2.259 470 F HA -0.068 4.459 4.527 0.000 0.000 0.298 470 F C 2.614 178.304 175.800 -0.182 0.000 1.088 470 F CA 1.073 58.916 58.000 -0.261 0.000 1.358 470 F CB -0.298 38.621 39.000 -0.135 0.000 1.040 470 F HN 0.054 nan 8.300 nan 0.000 0.505 471 E N -0.041 120.140 120.200 -0.032 0.000 2.072 471 E HA -0.237 4.113 4.350 -0.000 0.000 0.190 471 E C 2.009 178.575 176.600 -0.057 0.000 0.982 471 E CA 1.039 57.423 56.400 -0.026 0.000 0.803 471 E CB -0.156 29.521 29.700 -0.039 0.000 0.755 471 E HN 0.260 nan 8.360 nan 0.000 0.453 472 Q N 0.232 119.932 119.800 -0.167 0.000 2.096 472 Q HA -0.093 4.247 4.340 -0.000 0.000 0.197 472 Q C 1.272 177.314 176.000 0.070 0.000 0.964 472 Q CA 1.482 57.222 55.803 -0.103 0.000 0.838 472 Q CB -0.128 28.479 28.738 -0.218 0.000 0.906 472 Q HN 0.488 nan 8.270 nan 0.000 0.444 473 Y N 0.327 120.511 120.300 -0.194 0.000 2.511 473 Y HA 0.142 4.692 4.550 -0.000 0.000 0.279 473 Y C 0.361 176.247 175.900 -0.023 0.000 1.157 473 Y CA -0.440 57.527 58.100 -0.222 0.000 1.300 473 Y CB 0.180 38.197 38.460 -0.739 0.000 1.052 473 Y HN 0.183 nan 8.280 nan 0.000 0.529 474 E N 0.997 121.289 120.200 0.153 0.000 2.765 474 E HA -0.083 4.267 4.350 -0.000 0.000 0.256 474 E C 1.183 177.864 176.600 0.135 0.000 0.935 474 E CA 1.028 57.520 56.400 0.154 0.000 0.954 474 E CB 0.038 29.793 29.700 0.092 0.000 0.908 474 E HN 0.616 nan 8.360 nan 0.000 0.500 475 G N 4.176 113.059 108.800 0.139 0.000 2.184 475 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 475 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 475 G C 0.079 175.033 174.900 0.089 0.000 0.975 475 G CA 0.270 45.424 45.100 0.089 0.000 0.642 475 G HN 0.489 nan 8.290 nan 0.000 0.536 476 R N 0.673 121.263 120.500 0.150 0.000 2.428 476 R HA 0.451 4.791 4.340 -0.000 0.000 0.294 476 R C 0.097 176.464 176.300 0.111 0.000 1.000 476 R CA -0.768 55.402 56.100 0.116 0.000 0.960 476 R CB 1.077 31.443 30.300 0.109 0.000 1.076 476 R HN 0.380 nan 8.270 nan 0.000 0.475 477 E N 3.016 123.225 120.200 0.017 0.000 2.259 477 E HA -0.032 4.318 4.350 -0.000 0.000 0.281 477 E C 0.962 177.520 176.600 -0.071 0.000 1.037 477 E CA -0.345 56.025 56.400 -0.051 0.000 0.854 477 E CB 1.017 30.681 29.700 -0.060 0.000 1.051 477 E HN 0.364 nan 8.360 nan 0.000 0.409 478 L N 5.356 126.474 121.223 -0.177 0.000 2.011 478 L HA -0.345 3.995 4.340 -0.000 0.000 0.225 478 L C 2.357 179.144 176.870 -0.139 0.000 1.084 478 L CA 2.995 57.719 54.840 -0.194 0.000 0.791 478 L CB -1.442 40.394 42.059 -0.371 0.000 0.898 478 L HN 0.748 nan 8.230 nan 0.000 0.440 479 S N -1.293 114.324 115.700 -0.139 0.000 2.392 479 S HA -0.294 4.176 4.470 -0.000 0.000 0.232 479 S C 1.881 176.418 174.600 -0.105 0.000 1.041 479 S CA 1.819 59.952 58.200 -0.112 0.000 1.026 479 S CB -0.661 62.490 63.200 -0.082 0.000 0.845 479 S HN 0.696 nan 8.310 nan 0.000 0.465 480 E N -0.058 120.084 120.200 -0.097 0.000 2.150 480 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 480 E C 2.132 178.649 176.600 -0.138 0.000 0.985 480 E CA 1.185 57.525 56.400 -0.100 0.000 0.814 480 E CB -0.143 29.511 29.700 -0.076 0.000 0.752 480 E HN 0.485 nan 8.360 nan 0.000 0.466 481 V N 1.249 121.060 119.914 -0.171 0.000 2.323 481 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 481 V C 2.198 178.149 176.094 -0.239 0.000 1.041 481 V CA 1.408 63.538 62.300 -0.283 0.000 1.025 481 V CB -0.343 31.189 31.823 -0.485 0.000 0.656 481 V HN 0.261 nan 8.190 nan 0.000 0.451 482 I N 0.687 121.143 120.570 -0.190 0.000 2.163 482 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 482 I C 2.716 178.748 176.117 -0.142 0.000 1.085 482 I CA 1.686 62.894 61.300 -0.154 0.000 1.347 482 I CB -0.676 37.241 38.000 -0.138 0.000 1.044 482 I HN 0.292 nan 8.210 nan 0.000 0.408 483 A N 0.262 122.999 122.820 -0.138 0.000 1.902 483 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 483 A C 2.337 179.783 177.584 -0.230 0.000 1.181 483 A CA 2.037 53.988 52.037 -0.143 0.000 0.623 483 A CB -0.714 18.220 19.000 -0.110 0.000 0.818 483 A HN 0.521 nan 8.150 nan 0.000 0.443 484 E N -0.139 119.929 120.200 -0.220 0.000 2.077 484 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 484 E C 1.137 177.525 176.600 -0.353 0.000 0.989 484 E CA 0.956 57.199 56.400 -0.262 0.000 0.800 484 E CB -0.170 29.424 29.700 -0.177 0.000 0.746 484 E HN 0.597 nan 8.360 nan 0.000 0.452 485 L N 0.758 121.838 121.223 -0.239 0.000 2.672 485 L HA 0.119 4.459 4.340 -0.000 0.000 0.236 485 L C -0.400 176.442 176.870 -0.046 0.000 1.186 485 L CA 0.067 54.828 54.840 -0.132 0.000 0.977 485 L CB -0.717 41.295 42.059 -0.078 0.000 1.203 485 L HN 0.313 nan 8.230 nan 0.000 0.448 486 H N -1.199 117.839 119.070 -0.053 0.000 2.713 486 H HA -0.172 4.384 4.556 0.000 0.000 0.311 486 H C 1.412 176.715 175.328 -0.042 0.000 1.175 486 H CA 0.483 56.505 56.048 -0.043 0.000 1.143 486 H CB -1.485 28.253 29.762 -0.040 0.000 1.434 486 H HN 0.510 nan 8.280 nan 0.000 0.418 487 G N 0.447 109.252 108.800 0.008 0.000 3.414 487 G HA2 0.371 4.331 3.960 -0.000 0.000 0.258 487 G HA3 0.371 4.331 3.960 -0.000 0.000 0.258 487 G C 0.200 175.103 174.900 0.005 0.000 1.348 487 G CA -0.184 44.914 45.100 -0.003 0.000 1.319 487 G HN 0.295 nan 8.290 nan 0.000 0.555 488 L N -0.859 120.381 121.223 0.030 0.000 2.319 488 L HA 0.590 4.930 4.340 -0.000 0.000 0.267 488 L C 0.556 177.448 176.870 0.036 0.000 1.011 488 L CA -1.289 53.569 54.840 0.029 0.000 0.818 488 L CB 1.939 44.015 42.059 0.027 0.000 1.316 488 L HN 0.010 nan 8.230 nan 0.000 0.432 489 R N -0.353 120.167 120.500 0.033 0.000 2.580 489 R HA 0.135 4.475 4.340 -0.000 0.000 0.267 489 R C 1.307 177.624 176.300 0.029 0.000 1.125 489 R CA 0.184 56.303 56.100 0.032 0.000 1.188 489 R CB 0.696 31.015 30.300 0.032 0.000 1.155 489 R HN 0.804 nan 8.270 nan 0.000 0.586 490 S N 0.162 115.876 115.700 0.024 0.000 2.440 490 S HA -0.167 4.303 4.470 -0.000 0.000 0.238 490 S C 1.139 175.750 174.600 0.019 0.000 1.010 490 S CA 1.479 59.690 58.200 0.019 0.000 0.972 490 S CB -0.364 62.843 63.200 0.013 0.000 0.774 490 S HN 0.783 nan 8.310 nan 0.000 0.501 491 D N 1.213 121.626 120.400 0.021 0.000 2.378 491 D HA 0.132 4.772 4.640 -0.000 0.000 0.227 491 D C 1.491 177.803 176.300 0.020 0.000 1.012 491 D CA 0.630 54.642 54.000 0.019 0.000 0.905 491 D CB -1.232 39.581 40.800 0.021 0.000 0.895 491 D HN 0.540 nan 8.370 nan 0.000 0.532 492 G N -0.214 108.600 108.800 0.023 0.000 2.216 492 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.269 492 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.269 492 G C 1.171 176.083 174.900 0.020 0.000 0.981 492 G CA 1.440 46.554 45.100 0.024 0.000 0.658 492 G HN 0.885 nan 8.290 nan 0.000 0.539 493 K N -1.574 118.839 120.400 0.023 0.000 2.443 493 K HA 0.573 4.893 4.320 -0.000 0.000 0.200 493 K C 1.104 177.726 176.600 0.037 0.000 1.278 493 K CA 1.507 57.809 56.287 0.024 0.000 0.925 493 K CB -0.019 32.494 32.500 0.021 0.000 1.225 493 K HN 0.616 nan 8.250 nan 0.000 0.514 494 T N 2.179 116.759 114.554 0.044 0.000 2.897 494 T HA 0.503 4.853 4.350 -0.000 0.000 0.294 494 T C 0.256 174.993 174.700 0.062 0.000 1.004 494 T CA -0.473 61.665 62.100 0.064 0.000 1.106 494 T CB 0.754 69.659 68.868 0.061 0.000 0.949 494 T HN 0.269 nan 8.240 nan 0.000 0.520 495 L N 3.292 124.569 121.223 0.090 0.000 2.426 495 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 495 L C 1.697 178.593 176.870 0.043 0.000 1.169 495 L CA -0.375 54.506 54.840 0.068 0.000 0.836 495 L CB 0.395 42.524 42.059 0.116 0.000 1.112 495 L HN 0.701 nan 8.230 nan 0.000 0.465 496 I N 1.787 122.366 120.570 0.015 0.000 2.163 496 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 496 I C 1.541 177.636 176.117 -0.037 0.000 1.081 496 I CA 0.728 62.029 61.300 0.001 0.000 1.353 496 I CB -0.083 37.926 38.000 0.014 0.000 1.054 496 I HN 0.733 nan 8.210 nan 0.000 0.407 497 A N 0.932 123.713 122.820 -0.065 0.000 2.406 497 A HA 0.327 4.647 4.320 -0.000 0.000 0.243 497 A C -0.162 177.426 177.584 0.007 0.000 1.082 497 A CA 0.251 52.228 52.037 -0.100 0.000 0.786 497 A CB 0.412 19.322 19.000 -0.150 0.000 1.029 497 A HN 0.357 nan 8.150 nan 0.000 0.495 498 Q N 0.052 119.748 119.800 -0.173 0.000 2.472 498 Q HA 0.340 4.680 4.340 -0.000 0.000 0.281 498 Q C -2.579 172.774 176.000 -1.078 0.000 0.997 498 Q CA -1.316 54.107 55.803 -0.633 0.000 0.828 498 Q CB 2.179 30.612 28.738 -0.508 0.000 1.443 498 Q HN 0.536 nan 8.270 nan 0.000 0.390 499 P HA 0.049 nan 4.420 nan 0.000 0.262 499 P C -0.545 176.551 177.300 -0.340 0.000 1.304 499 P CA 0.651 62.874 63.100 -1.463 0.000 0.859 499 P CB 0.355 30.808 31.700 -2.078 0.000 1.310 500 H N -3.055 115.868 119.070 -0.245 0.000 3.017 500 H HA 0.411 4.967 4.556 -0.000 0.000 0.346 500 H C -0.260 175.056 175.328 -0.020 0.000 1.286 500 H CA -1.039 54.993 56.048 -0.027 0.000 1.120 500 H CB 0.713 30.490 29.762 0.025 0.000 1.860 500 H HN -0.250 nan 8.280 nan 0.000 0.542 501 V N -0.682 119.363 119.914 0.218 0.000 3.099 501 V HA 0.486 4.606 4.120 -0.000 0.000 0.356 501 V C 0.414 176.627 176.094 0.197 0.000 1.364 501 V CA -0.471 61.909 62.300 0.133 0.000 1.229 501 V CB -1.055 30.827 31.823 0.099 0.000 1.227 501 V HN 0.581 nan 8.190 nan 0.000 0.493 502 R N 0.055 120.820 120.500 0.441 0.000 2.546 502 R HA 0.565 4.905 4.340 -0.000 0.000 0.266 502 R C 1.551 177.979 176.300 0.214 0.000 1.086 502 R CA 0.074 56.309 56.100 0.226 0.000 1.160 502 R CB 0.883 31.218 30.300 0.057 0.000 1.138 502 R HN 0.337 nan 8.270 nan 0.000 0.567 503 G N 0.038 108.906 108.800 0.114 0.000 2.813 503 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.209 503 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.209 503 G C -0.356 174.605 174.900 0.102 0.000 1.150 503 G CA 0.300 45.456 45.100 0.092 0.000 0.785 503 G HN 0.708 nan 8.290 nan 0.000 0.535 504 D N -2.837 117.637 120.400 0.122 0.000 2.592 504 D HA 0.454 5.094 4.640 -0.000 0.000 0.263 504 D C -0.087 176.302 176.300 0.148 0.000 1.132 504 D CA -1.155 52.904 54.000 0.099 0.000 0.996 504 D CB 0.571 41.396 40.800 0.042 0.000 1.442 504 D HN -0.082 nan 8.370 nan 0.000 0.486 505 K N -0.605 119.860 120.400 0.108 0.000 3.162 505 K HA -0.149 4.171 4.320 -0.000 0.000 0.268 505 K C -0.821 175.962 176.600 0.306 0.000 1.062 505 K CA 0.155 56.513 56.287 0.118 0.000 0.769 505 K CB -1.603 30.921 32.500 0.041 0.000 1.274 505 K HN 0.413 nan 8.250 nan 0.000 0.478 506 L N 0.770 122.131 121.223 0.229 0.000 2.305 506 L HA 0.303 4.643 4.340 -0.000 0.000 0.281 506 L C 0.722 177.755 176.870 0.272 0.000 1.085 506 L CA -0.671 54.316 54.840 0.245 0.000 0.813 506 L CB 0.281 42.420 42.059 0.133 0.000 1.157 506 L HN 0.023 nan 8.230 nan 0.000 0.436 507 W N 2.076 123.405 121.300 0.050 0.000 2.158 507 W HA 0.296 4.956 4.660 -0.000 0.000 0.339 507 W C 0.894 177.460 176.519 0.078 0.000 1.294 507 W CA -0.452 56.957 57.345 0.107 0.000 1.231 507 W CB 0.255 29.864 29.460 0.249 0.000 1.143 507 W HN 0.470 nan 8.180 nan 0.000 0.571 508 T N -0.369 114.337 114.554 0.253 0.000 2.938 508 T HA 0.334 4.684 4.350 -0.000 0.000 0.285 508 T C 0.558 175.338 174.700 0.133 0.000 1.028 508 T CA -0.859 61.329 62.100 0.146 0.000 1.005 508 T CB 1.184 70.095 68.868 0.072 0.000 1.157 508 T HN 0.310 nan 8.240 nan 0.000 0.550 509 L N 0.752 122.016 121.223 0.069 0.000 2.046 509 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 509 L C 2.309 179.195 176.870 0.027 0.000 1.077 509 L CA 2.108 56.967 54.840 0.031 0.000 0.747 509 L CB -0.950 41.110 42.059 0.003 0.000 0.896 509 L HN 0.950 nan 8.230 nan 0.000 0.432 510 D N -1.047 119.368 120.400 0.026 0.000 2.178 510 D HA -0.216 4.424 4.640 -0.000 0.000 0.201 510 D C 1.340 177.654 176.300 0.024 0.000 0.980 510 D CA 1.237 55.244 54.000 0.012 0.000 0.842 510 D CB 0.098 40.899 40.800 0.002 0.000 0.948 510 D HN 0.431 nan 8.370 nan 0.000 0.472 511 D N 0.452 120.884 120.400 0.055 0.000 2.144 511 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 511 D C 2.162 178.554 176.300 0.153 0.000 0.984 511 D CA 0.374 54.415 54.000 0.068 0.000 0.834 511 D CB 0.051 40.891 40.800 0.067 0.000 0.955 511 D HN 0.344 nan 8.370 nan 0.000 0.465 512 I N 0.967 121.627 120.570 0.150 0.000 2.277 512 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 512 I C 2.370 178.477 176.117 -0.017 0.000 1.094 512 I CA 0.744 62.079 61.300 0.059 0.000 1.393 512 I CB -0.753 37.217 38.000 -0.051 0.000 1.078 512 I HN 0.006 nan 8.210 nan 0.000 0.417 513 K N 1.388 121.775 120.400 -0.022 0.000 2.044 513 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 513 K C 2.439 179.020 176.600 -0.031 0.000 1.049 513 K CA 2.398 58.661 56.287 -0.041 0.000 0.927 513 K CB -0.053 32.428 32.500 -0.033 0.000 0.713 513 K HN 0.232 nan 8.250 nan 0.000 0.443 514 R N 1.253 121.746 120.500 -0.011 0.000 2.139 514 R HA -0.120 4.220 4.340 -0.000 0.000 0.243 514 R C 2.306 178.601 176.300 -0.008 0.000 1.145 514 R CA 1.914 58.009 56.100 -0.009 0.000 0.976 514 R CB -1.545 28.753 30.300 -0.004 0.000 0.866 514 R HN 0.321 nan 8.270 nan 0.000 0.449 515 L N 0.245 121.466 121.223 -0.004 0.000 2.191 515 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 515 L C 1.162 177.998 176.870 -0.056 0.000 1.103 515 L CA 0.951 55.781 54.840 -0.016 0.000 0.769 515 L CB -0.531 41.509 42.059 -0.031 0.000 0.908 515 L HN 0.718 nan 8.230 nan 0.000 0.438 516 N N 0.167 118.825 118.700 -0.070 0.000 2.714 516 N HA -0.233 4.507 4.740 -0.000 0.000 0.253 516 N C -0.164 175.273 175.510 -0.122 0.000 1.024 516 N CA 0.189 53.189 53.050 -0.083 0.000 0.726 516 N CB -0.786 37.667 38.487 -0.057 0.000 0.908 516 N HN 0.360 nan 8.380 nan 0.000 0.542 517 C N 1.458 120.649 119.300 -0.181 0.000 2.514 517 C HA 0.579 5.039 4.460 -0.000 0.000 0.392 517 C C 0.530 175.347 174.990 -0.288 0.000 1.294 517 C CA -0.313 58.545 59.018 -0.266 0.000 1.957 517 C CB 0.511 28.024 27.740 -0.379 0.000 2.541 517 C HN 0.240 nan 8.230 nan 0.000 0.569 518 V N 7.714 127.477 119.914 -0.251 0.000 2.409 518 V HA 0.353 4.473 4.120 -0.000 0.000 0.290 518 V C -0.139 175.879 176.094 -0.126 0.000 1.017 518 V CA -0.301 61.904 62.300 -0.158 0.000 0.841 518 V CB 0.877 32.658 31.823 -0.070 0.000 1.003 518 V HN 0.843 nan 8.190 nan 0.000 0.426 519 F N 4.029 123.976 119.950 -0.004 0.000 2.589 519 F HA 0.352 4.879 4.527 -0.000 0.000 0.352 519 F C 0.831 176.636 175.800 0.009 0.000 1.168 519 F CA 0.327 58.352 58.000 0.041 0.000 1.353 519 F CB 0.597 39.703 39.000 0.178 0.000 1.116 519 F HN 0.488 nan 8.300 nan 0.000 0.608 520 K N 0.508 121.016 120.400 0.181 0.000 2.527 520 K HA 0.343 4.663 4.320 -0.000 0.000 0.260 520 K C -1.521 175.058 176.600 -0.036 0.000 0.937 520 K CA -1.184 55.131 56.287 0.047 0.000 0.826 520 K CB 1.296 33.776 32.500 -0.034 0.000 1.359 520 K HN 0.308 nan 8.250 nan 0.000 0.434 521 N N 3.560 122.260 118.700 0.001 0.000 2.415 521 N HA 0.103 4.843 4.740 -0.000 0.000 0.250 521 N C -1.481 173.991 175.510 -0.064 0.000 1.127 521 N CA -2.192 50.855 53.050 -0.006 0.000 0.945 521 N CB 0.652 39.168 38.487 0.049 0.000 1.196 521 N HN 0.500 nan 8.380 nan 0.000 0.499 522 P HA -0.210 nan 4.420 nan 0.000 0.217 522 P C 1.278 178.687 177.300 0.181 0.000 1.148 522 P CA 0.804 63.814 63.100 -0.151 0.000 0.834 522 P CB 0.453 31.857 31.700 -0.492 0.000 0.783 523 V N -0.072 119.980 119.914 0.230 0.000 2.970 523 V HA -0.100 4.020 4.120 -0.000 0.000 0.260 523 V C 2.076 178.347 176.094 0.296 0.000 1.100 523 V CA 1.512 63.988 62.300 0.293 0.000 1.122 523 V CB -1.051 30.803 31.823 0.052 0.000 0.721 523 V HN -0.024 nan 8.190 nan 0.000 0.483 524 K N 0.473 120.969 120.400 0.160 0.000 2.515 524 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 524 K C 1.922 178.584 176.600 0.104 0.000 1.038 524 K CA 1.056 57.409 56.287 0.110 0.000 0.967 524 K CB -0.492 32.037 32.500 0.049 0.000 0.780 524 K HN 0.566 nan 8.250 nan 0.000 0.483 525 A N 0.440 123.328 122.820 0.113 0.000 2.067 525 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 525 A C 0.519 178.057 177.584 -0.076 0.000 1.156 525 A CA 0.162 52.178 52.037 -0.035 0.000 0.683 525 A CB -0.263 18.649 19.000 -0.146 0.000 0.808 525 A HN 0.088 nan 8.150 nan 0.000 0.455 526 F N 1.179 121.130 119.950 0.002 0.000 2.484 526 F HA 0.287 4.814 4.527 0.000 0.000 0.360 526 F C 0.692 176.492 175.800 -0.001 0.000 1.101 526 F CA -0.302 57.698 58.000 0.000 0.000 1.251 526 F CB 0.286 39.285 39.000 -0.003 0.000 1.132 526 F HN 0.108 nan 8.300 nan 0.000 0.570 527 N N 0.000 118.786 118.700 0.143 0.000 1.763 527 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 527 N CA 0.000 53.102 53.050 0.087 0.000 0.885 527 N CB 0.000 38.510 38.487 0.039 0.000 1.341 527 N HN 0.000 nan 8.380 nan 0.000 0.667