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 3cur_1_J DATA FIRST_RESID 5 DATA SEQUENCE KPTPQSTFTG PIVVDPITRI EGHLRIMVEV ENGKVKDAWS SSQLFRGLEI DATA SEQUENCE ILKGRDPRDA QHFTQRACGM CTYVHALASS RCVDDAVKVS IPANARMMRN DATA SEQUENCE LVMASQYLHD HLVHFYHMHA LDWVDVTAAL KADPNKAAKL AASIAPARPG DATA SEQUENCE NSAKALKAVQ DKLKAFVESG QLGIFTNAYF LGGHKAYYLP PEVDLIATAH DATA SEQUENCE YLEALHMQVK AASAMAILGG KNPHTQFTVV GGCSNYQGLT KDPLANYLAL DATA SEQUENCE SKEVcQFVNE CYIPDLLAVA GFYKDWGGIG GTSNYLAFGE FATDDSSPEK DATA SEQUENCE HLATSQFPSG VITGRDLGKV DNVDLGAIYE DVKYSWYAPG GDGKHPYDGV DATA SEQUENCE TDPKYTKLDD KDHYSWMKAP RYKGKAMEVG PLARTFIAYA KGQPDFKKVV DATA SEQUENCE DMVLGKLSVP ATALHSTLGR TAARGIETAI VcANMEKWIK EMADSGAKDN DATA SEQUENCE TLCAKWEMPE ESKGVGLADA PRGALSHWIR IKGKKIDNFQ LVVPSTWNLG DATA SEQUENCE PRGAQGDKSP VEEALIGTPI ADPKRPVEIL RTVHAFDPCI ACGVH 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.570 176.600 -0.050 0.000 0.988 5 K CA 0.000 56.259 56.287 -0.046 0.000 0.838 5 K CB 0.000 nan 32.500 nan 0.000 1.064 6 P HA 0.343 nan 4.420 nan 0.000 0.272 6 P C -0.472 176.843 177.300 0.025 0.000 1.240 6 P CA 0.139 63.242 63.100 0.004 0.000 0.791 6 P CB 0.093 31.803 31.700 0.016 0.000 0.978 7 T N 2.808 117.402 114.554 0.067 0.000 2.831 7 T HA 0.157 4.506 4.350 -0.000 0.000 0.291 7 T C -2.067 172.721 174.700 0.148 0.000 0.981 7 T CA -0.363 61.829 62.100 0.154 0.000 1.174 7 T CB -0.724 68.211 68.868 0.111 0.000 0.929 7 T HN 0.351 nan 8.240 nan 0.000 0.532 8 P HA 0.179 nan 4.420 nan 0.000 0.265 8 P C -0.463 176.934 177.300 0.163 0.000 1.193 8 P CA -0.083 63.129 63.100 0.186 0.000 0.765 8 P CB 0.433 32.290 31.700 0.260 0.000 0.823 9 Q N 1.646 121.515 119.800 0.116 0.000 2.281 9 Q HA 0.401 4.741 4.340 -0.000 0.000 0.263 9 Q C -0.631 175.420 176.000 0.086 0.000 0.989 9 Q CA -0.527 55.335 55.803 0.098 0.000 0.852 9 Q CB 1.464 30.246 28.738 0.073 0.000 1.337 9 Q HN 0.570 nan 8.270 nan 0.000 0.418 10 S N 1.093 116.850 115.700 0.095 0.000 2.652 10 S HA 0.327 4.797 4.470 -0.000 0.000 0.267 10 S C 0.841 175.504 174.600 0.105 0.000 1.201 10 S CA 0.310 58.567 58.200 0.095 0.000 0.996 10 S CB 1.095 64.355 63.200 0.100 0.000 1.054 10 S HN 0.753 nan 8.310 nan 0.000 0.561 11 T N -2.154 112.466 114.554 0.111 0.000 3.145 11 T HA 0.252 4.602 4.350 -0.000 0.000 0.255 11 T C 0.017 174.785 174.700 0.115 0.000 1.039 11 T CA -0.506 61.648 62.100 0.089 0.000 0.928 11 T CB -0.830 68.073 68.868 0.058 0.000 1.029 11 T HN 0.484 nan 8.240 nan 0.000 0.554 12 F N 3.465 123.423 119.950 0.014 0.000 2.602 12 F HA 0.359 4.886 4.527 -0.000 0.000 0.385 12 F C -0.058 175.752 175.800 0.016 0.000 1.063 12 F CA 0.232 58.240 58.000 0.014 0.000 1.233 12 F CB 0.323 39.332 39.000 0.014 0.000 1.067 12 F HN -0.017 nan 8.300 nan 0.000 0.564 13 T N 5.321 119.438 114.554 -0.729 0.000 2.786 13 T HA 0.730 5.080 4.350 -0.000 0.000 0.283 13 T C -0.030 174.008 174.700 -1.102 0.000 0.992 13 T CA -0.037 61.658 62.100 -0.676 0.000 0.954 13 T CB 0.946 69.626 68.868 -0.313 0.000 0.934 13 T HN 1.107 nan 8.240 nan 0.000 0.440 14 G N 4.266 112.574 108.800 -0.821 0.000 2.356 14 G HA2 0.361 4.321 3.960 -0.000 0.000 0.300 14 G HA3 0.361 4.321 3.960 -0.000 0.000 0.300 14 G C -3.454 171.428 174.900 -0.030 0.000 1.331 14 G CA -0.979 43.849 45.100 -0.453 0.000 0.905 14 G HN 0.488 nan 8.290 nan 0.000 0.587 15 P HA 0.639 nan 4.420 nan 0.000 0.282 15 P C -0.614 176.853 177.300 0.279 0.000 1.249 15 P CA -0.300 62.907 63.100 0.177 0.000 0.806 15 P CB 1.432 33.186 31.700 0.089 0.000 0.984 16 I N 1.673 122.376 120.570 0.221 0.000 2.533 16 I HA 0.331 4.500 4.170 -0.000 0.000 0.290 16 I C -0.416 175.772 176.117 0.119 0.000 1.056 16 I CA -1.155 60.236 61.300 0.152 0.000 1.057 16 I CB 2.456 40.527 38.000 0.118 0.000 1.240 16 I HN -0.023 nan 8.210 nan 0.000 0.423 17 V N 6.697 126.667 119.914 0.092 0.000 2.459 17 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 17 V C -0.253 175.898 176.094 0.095 0.000 1.029 17 V CA -0.681 61.675 62.300 0.092 0.000 0.874 17 V CB 2.194 34.063 31.823 0.076 0.000 0.985 17 V HN 0.413 nan 8.190 nan 0.000 0.438 18 V N 3.540 123.521 119.914 0.111 0.000 2.349 18 V HA 0.608 4.728 4.120 -0.000 0.000 0.284 18 V C -0.900 175.269 176.094 0.125 0.000 1.014 18 V CA -0.291 62.081 62.300 0.121 0.000 0.826 18 V CB 1.452 33.351 31.823 0.127 0.000 1.009 18 V HN 0.937 nan 8.190 nan 0.000 0.431 19 D N 5.332 125.806 120.400 0.123 0.000 2.591 19 D HA 0.449 5.089 4.640 -0.000 0.000 0.222 19 D C -2.497 173.875 176.300 0.119 0.000 1.360 19 D CA -0.627 53.452 54.000 0.131 0.000 0.967 19 D CB 2.579 43.459 40.800 0.134 0.000 1.456 19 D HN 0.436 nan 8.370 nan 0.000 0.588 20 P HA 0.424 nan 4.420 nan 0.000 0.282 20 P C -0.145 177.228 177.300 0.122 0.000 1.249 20 P CA -0.652 62.532 63.100 0.140 0.000 0.806 20 P CB 1.107 32.895 31.700 0.146 0.000 0.984 21 I N 2.898 123.545 120.570 0.127 0.000 2.421 21 I HA 0.043 4.212 4.170 -0.000 0.000 0.291 21 I C 1.403 177.596 176.117 0.127 0.000 1.089 21 I CA 0.311 61.676 61.300 0.108 0.000 1.354 21 I CB 0.121 38.181 38.000 0.100 0.000 1.413 21 I HN 0.522 nan 8.210 nan 0.000 0.513 22 T N 3.500 118.130 114.554 0.127 0.000 2.862 22 T HA 0.448 4.798 4.350 -0.000 0.000 0.276 22 T C 0.730 175.565 174.700 0.225 0.000 0.974 22 T CA -0.773 61.402 62.100 0.126 0.000 0.966 22 T CB 0.930 69.835 68.868 0.062 0.000 1.072 22 T HN 0.618 nan 8.240 nan 0.000 0.538 23 R N -0.118 120.452 120.500 0.116 0.000 3.416 23 R HA -0.141 4.198 4.340 -0.000 0.000 0.263 23 R C -0.076 176.264 176.300 0.067 0.000 1.053 23 R CA 0.852 56.968 56.100 0.027 0.000 0.705 23 R CB -2.190 28.030 30.300 -0.133 0.000 1.124 23 R HN 0.793 nan 8.270 nan 0.000 0.444 24 I N -4.746 115.910 120.570 0.143 0.000 3.264 24 I HA 0.550 4.720 4.170 -0.000 0.000 0.315 24 I C -0.169 176.009 176.117 0.101 0.000 1.154 24 I CA -1.237 60.164 61.300 0.168 0.000 0.962 24 I CB 1.865 39.992 38.000 0.212 0.000 1.265 24 I HN -0.234 nan 8.210 nan 0.000 0.463 25 E N 1.781 122.046 120.200 0.109 0.000 2.200 25 E HA 0.570 4.919 4.350 -0.000 0.000 0.283 25 E C 0.087 176.701 176.600 0.023 0.000 1.015 25 E CA 0.883 57.322 56.400 0.064 0.000 0.819 25 E CB 0.971 30.732 29.700 0.101 0.000 1.081 25 E HN 1.023 nan 8.360 nan 0.000 0.397 26 G N 4.330 113.066 108.800 -0.107 0.000 2.627 26 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.214 26 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.214 26 G C -0.957 173.735 174.900 -0.346 0.000 1.331 26 G CA -0.605 44.356 45.100 -0.231 0.000 0.891 26 G HN 0.690 nan 8.290 nan 0.000 0.539 27 H N -0.366 118.788 119.070 0.140 0.000 2.673 27 H HA 0.565 5.121 4.556 -0.001 0.000 0.293 27 H C -0.481 174.957 175.328 0.185 0.000 1.065 27 H CA -0.392 55.746 56.048 0.149 0.000 1.236 27 H CB 1.308 31.151 29.762 0.136 0.000 1.389 27 H HN 0.487 nan 8.280 nan 0.000 0.481 28 L N 3.170 124.538 121.223 0.243 0.000 2.346 28 L HA 0.425 4.764 4.340 -0.000 0.000 0.276 28 L C -0.197 176.802 176.870 0.215 0.000 1.006 28 L CA -0.613 54.363 54.840 0.227 0.000 0.817 28 L CB 1.732 43.899 42.059 0.179 0.000 1.272 28 L HN 0.489 nan 8.230 nan 0.000 0.421 29 R N 5.602 126.239 120.500 0.229 0.000 2.393 29 R HA 0.582 4.922 4.340 -0.000 0.000 0.315 29 R C -1.522 174.894 176.300 0.193 0.000 0.952 29 R CA -0.701 55.522 56.100 0.204 0.000 0.842 29 R CB 1.007 31.443 30.300 0.227 0.000 1.163 29 R HN 0.587 nan 8.270 nan 0.000 0.450 30 I N 5.640 126.307 120.570 0.161 0.000 2.377 30 I HA 0.314 4.484 4.170 -0.000 0.000 0.293 30 I C -0.354 175.857 176.117 0.158 0.000 0.987 30 I CA -0.890 60.503 61.300 0.156 0.000 1.185 30 I CB 1.619 39.694 38.000 0.125 0.000 1.341 30 I HN 0.695 nan 8.210 nan 0.000 0.455 31 M N 7.315 127.032 119.600 0.195 0.000 2.383 31 M HA 0.596 5.076 4.480 -0.000 0.000 0.325 31 M C -0.383 176.114 176.300 0.329 0.000 1.092 31 M CA -0.742 54.681 55.300 0.204 0.000 0.961 31 M CB 2.142 34.798 32.600 0.093 0.000 1.672 31 M HN 0.354 nan 8.290 nan 0.000 0.438 32 V N -1.271 118.805 119.914 0.269 0.000 2.925 32 V HA 0.711 4.830 4.120 -0.000 0.000 0.311 32 V C -0.934 175.323 176.094 0.271 0.000 1.104 32 V CA -0.729 61.730 62.300 0.266 0.000 0.954 32 V CB 2.249 34.169 31.823 0.162 0.000 1.022 32 V HN 0.766 nan 8.190 nan 0.000 0.427 33 E N 2.284 122.648 120.200 0.274 0.000 2.156 33 E HA 0.609 4.958 4.350 -0.000 0.000 0.279 33 E C -1.044 175.626 176.600 0.117 0.000 0.965 33 E CA -0.389 56.124 56.400 0.188 0.000 0.789 33 E CB 2.237 32.057 29.700 0.199 0.000 1.098 33 E HN 0.670 nan 8.360 nan 0.000 0.397 34 V N 2.569 122.543 119.914 0.100 0.000 2.513 34 V HA 0.342 4.461 4.120 -0.000 0.000 0.299 34 V C 0.018 176.099 176.094 -0.022 0.000 1.035 34 V CA -0.686 61.668 62.300 0.090 0.000 0.889 34 V CB 1.880 33.856 31.823 0.254 0.000 0.988 34 V HN 0.605 nan 8.190 nan 0.000 0.440 35 E N 3.965 124.160 120.200 -0.009 0.000 2.241 35 E HA 0.302 4.651 4.350 -0.000 0.000 0.263 35 E C 0.188 176.780 176.600 -0.014 0.000 0.882 35 E CA -0.435 55.938 56.400 -0.044 0.000 0.769 35 E CB 0.873 30.553 29.700 -0.033 0.000 1.185 35 E HN 0.801 nan 8.360 nan 0.000 0.415 36 N N 3.537 122.222 118.700 -0.026 0.000 2.721 36 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 36 N C 0.495 176.035 175.510 0.049 0.000 1.072 36 N CA 0.984 54.040 53.050 0.009 0.000 0.710 36 N CB -0.817 37.672 38.487 0.002 0.000 0.993 36 N HN 0.978 nan 8.380 nan 0.000 0.547 37 G N -0.764 108.092 108.800 0.093 0.000 2.176 37 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.253 37 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.253 37 G C -0.083 174.878 174.900 0.102 0.000 0.979 37 G CA 0.834 46.012 45.100 0.129 0.000 0.641 37 G HN 0.519 nan 8.290 nan 0.000 0.530 38 K N 0.023 120.467 120.400 0.073 0.000 2.316 38 K HA 0.611 4.931 4.320 -0.000 0.000 0.251 38 K C 0.224 176.856 176.600 0.053 0.000 0.934 38 K CA -0.910 55.408 56.287 0.051 0.000 0.802 38 K CB 2.823 35.335 32.500 0.020 0.000 1.171 38 K HN 0.018 nan 8.250 nan 0.000 0.426 39 V N 4.308 124.253 119.914 0.052 0.000 2.529 39 V HA -0.013 4.106 4.120 -0.000 0.000 0.292 39 V C 0.901 177.000 176.094 0.009 0.000 1.028 39 V CA 0.492 62.820 62.300 0.047 0.000 1.074 39 V CB 0.755 32.607 31.823 0.048 0.000 0.958 39 V HN 0.712 nan 8.190 nan 0.000 0.481 40 K N 2.060 122.461 120.400 0.001 0.000 2.391 40 K HA 0.304 4.624 4.320 -0.000 0.000 0.197 40 K C 0.004 176.557 176.600 -0.079 0.000 1.087 40 K CA 0.170 56.440 56.287 -0.028 0.000 1.012 40 K CB 0.566 33.057 32.500 -0.015 0.000 0.925 40 K HN 0.710 nan 8.250 nan 0.000 0.547 41 D N -0.843 119.496 120.400 -0.102 0.000 2.655 41 D HA 0.563 5.203 4.640 -0.000 0.000 0.229 41 D C -1.785 174.293 176.300 -0.370 0.000 1.229 41 D CA -0.394 53.424 54.000 -0.303 0.000 0.807 41 D CB 2.243 42.840 40.800 -0.338 0.000 1.514 41 D HN 0.002 nan 8.370 nan 0.000 0.444 42 A N 1.501 123.895 122.820 -0.711 0.000 2.572 42 A HA 0.766 5.086 4.320 -0.000 0.000 0.295 42 A C -1.725 175.388 177.584 -0.785 0.000 1.072 42 A CA -0.786 50.978 52.037 -0.455 0.000 0.691 42 A CB 1.785 20.673 19.000 -0.187 0.000 1.291 42 A HN 0.375 nan 8.150 nan 0.000 0.404 43 W N 0.873 122.076 121.300 -0.163 0.000 2.900 43 W HA 0.502 5.161 4.660 -0.001 0.000 0.336 43 W C -0.166 176.324 176.519 -0.048 0.000 1.064 43 W CA -0.522 56.657 57.345 -0.276 0.000 1.237 43 W CB 2.357 31.456 29.460 -0.602 0.000 1.391 43 W HN 0.714 nan 8.180 nan 0.000 0.468 44 S N 2.344 118.220 115.700 0.294 0.000 2.423 44 S HA 0.312 4.782 4.470 -0.000 0.000 0.317 44 S C -0.443 174.381 174.600 0.373 0.000 1.065 44 S CA -0.046 58.310 58.200 0.261 0.000 1.111 44 S CB 0.734 64.019 63.200 0.143 0.000 0.968 44 S HN 0.328 nan 8.310 nan 0.000 0.474 45 S N 4.442 120.341 115.700 0.333 0.000 2.532 45 S HA 0.450 4.919 4.470 -0.000 0.000 0.318 45 S C -0.310 174.491 174.600 0.334 0.000 1.083 45 S CA -0.594 57.815 58.200 0.348 0.000 1.131 45 S CB 0.327 63.743 63.200 0.361 0.000 0.973 45 S HN 0.686 nan 8.310 nan 0.000 0.468 46 S N 4.402 120.302 115.700 0.334 0.000 2.505 46 S HA 0.200 4.670 4.470 -0.000 0.000 0.276 46 S C 0.858 175.831 174.600 0.623 0.000 1.274 46 S CA -0.528 57.920 58.200 0.414 0.000 1.053 46 S CB 0.972 64.403 63.200 0.385 0.000 0.919 46 S HN 0.732 nan 8.310 nan 0.000 0.490 47 Q N 1.080 121.203 119.800 0.539 0.000 2.282 47 Q HA 0.279 4.619 4.340 -0.000 0.000 0.206 47 Q C -0.534 175.719 176.000 0.421 0.000 0.878 47 Q CA 0.033 56.154 55.803 0.531 0.000 0.944 47 Q CB 0.302 29.251 28.738 0.353 0.000 1.100 47 Q HN 0.559 nan 8.270 nan 0.000 0.509 48 L N -0.106 121.328 121.223 0.352 0.000 2.410 48 L HA 0.572 4.912 4.340 -0.000 0.000 0.270 48 L C -1.650 175.105 176.870 -0.192 0.000 0.983 48 L CA -0.886 53.975 54.840 0.035 0.000 0.822 48 L CB 1.696 43.814 42.059 0.098 0.000 1.285 48 L HN -0.109 nan 8.230 nan 0.000 0.409 49 F N 4.502 123.966 119.950 -0.811 0.000 2.507 49 F HA 0.615 5.142 4.527 -0.000 0.000 0.325 49 F C 0.536 176.058 175.800 -0.464 0.000 1.116 49 F CA -0.266 57.245 58.000 -0.816 0.000 0.930 49 F CB 1.773 39.746 39.000 -1.712 0.000 1.146 49 F HN 0.629 nan 8.300 nan 0.000 0.447 50 R N 2.553 122.422 120.500 -1.050 0.000 2.215 50 R HA 0.323 4.663 4.340 -0.000 0.000 0.190 50 R C 0.505 176.274 176.300 -0.885 0.000 0.968 50 R CA 0.316 56.003 56.100 -0.688 0.000 1.122 50 R CB 0.485 30.569 30.300 -0.360 0.000 1.151 50 R HN 0.941 nan 8.270 nan 0.000 0.582 51 G N 1.819 109.852 108.800 -1.278 0.000 2.303 51 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 51 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 51 G C 0.524 175.293 174.900 -0.219 0.000 1.106 51 G CA 0.008 44.649 45.100 -0.765 0.000 0.900 51 G HN 0.139 nan 8.290 nan 0.000 0.495 52 L N -0.723 120.401 121.223 -0.165 0.000 2.081 52 L HA -0.144 4.195 4.340 -0.000 0.000 0.212 52 L C 2.759 179.600 176.870 -0.047 0.000 1.080 52 L CA 2.278 57.079 54.840 -0.066 0.000 0.754 52 L CB -0.470 41.560 42.059 -0.048 0.000 0.893 52 L HN 0.511 nan 8.230 nan 0.000 0.433 53 E N 0.418 120.643 120.200 0.041 0.000 2.110 53 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 53 E C 2.262 178.898 176.600 0.060 0.000 0.988 53 E CA 1.173 57.626 56.400 0.089 0.000 0.804 53 E CB -0.118 29.692 29.700 0.183 0.000 0.745 53 E HN 0.517 nan 8.360 nan 0.000 0.458 54 I N 0.673 121.287 120.570 0.074 0.000 2.252 54 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 54 I C 2.262 178.376 176.117 -0.004 0.000 1.102 54 I CA 0.983 62.324 61.300 0.069 0.000 1.385 54 I CB -0.194 37.885 38.000 0.133 0.000 1.064 54 I HN 0.093 nan 8.210 nan 0.000 0.414 55 I N 0.539 121.082 120.570 -0.045 0.000 2.493 55 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 55 I C 2.270 178.234 176.117 -0.256 0.000 1.160 55 I CA 1.266 62.503 61.300 -0.106 0.000 1.445 55 I CB -0.103 37.861 38.000 -0.060 0.000 1.086 55 I HN 0.216 nan 8.210 nan 0.000 0.433 56 L N 0.240 121.295 121.223 -0.279 0.000 2.395 56 L HA -0.057 4.283 4.340 -0.000 0.000 0.218 56 L C 1.247 177.984 176.870 -0.222 0.000 1.130 56 L CA 0.254 54.854 54.840 -0.400 0.000 0.826 56 L CB -0.271 41.535 42.059 -0.423 0.000 0.941 56 L HN 0.083 nan 8.230 nan 0.000 0.451 57 K N 0.428 120.764 120.400 -0.106 0.000 2.472 57 K HA 0.110 4.430 4.320 -0.000 0.000 0.280 57 K C 1.095 177.663 176.600 -0.053 0.000 1.028 57 K CA 0.947 57.212 56.287 -0.037 0.000 1.045 57 K CB 0.250 32.750 32.500 0.000 0.000 0.902 57 K HN 0.221 nan 8.250 nan 0.000 0.478 58 G N 3.244 112.028 108.800 -0.027 0.000 2.176 58 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.253 58 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.253 58 G C 0.104 174.982 174.900 -0.036 0.000 0.979 58 G CA 0.176 45.264 45.100 -0.021 0.000 0.641 58 G HN 0.622 nan 8.290 nan 0.000 0.530 59 R N 0.275 120.727 120.500 -0.081 0.000 2.541 59 R HA 0.427 4.766 4.340 -0.000 0.000 0.263 59 R C -0.314 175.964 176.300 -0.038 0.000 1.112 59 R CA -0.582 55.461 56.100 -0.095 0.000 1.170 59 R CB 0.388 30.542 30.300 -0.244 0.000 1.167 59 R HN 0.175 nan 8.270 nan 0.000 0.582 60 D N 1.339 121.736 120.400 -0.005 0.000 2.371 60 D HA 0.036 4.676 4.640 -0.000 0.000 0.256 60 D C -1.667 174.659 176.300 0.043 0.000 1.193 60 D CA -1.921 52.107 54.000 0.045 0.000 0.881 60 D CB 1.262 42.109 40.800 0.078 0.000 1.143 60 D HN 0.121 nan 8.370 nan 0.000 0.473 61 P HA -0.122 nan 4.420 nan 0.000 0.218 61 P C 1.121 178.450 177.300 0.049 0.000 1.146 61 P CA 1.086 64.229 63.100 0.071 0.000 0.813 61 P CB 0.222 31.979 31.700 0.095 0.000 0.778 62 R N -0.641 119.908 120.500 0.083 0.000 2.152 62 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 62 R C 1.458 177.817 176.300 0.098 0.000 1.117 62 R CA 1.221 57.371 56.100 0.084 0.000 0.981 62 R CB -0.616 29.791 30.300 0.177 0.000 0.870 62 R HN 0.239 nan 8.270 nan 0.000 0.451 63 D N 0.509 120.990 120.400 0.135 0.000 2.269 63 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 63 D C 1.734 178.149 176.300 0.193 0.000 0.963 63 D CA 0.904 55.057 54.000 0.256 0.000 0.864 63 D CB -0.101 40.872 40.800 0.288 0.000 0.936 63 D HN 0.191 nan 8.370 nan 0.000 0.505 64 A N 1.647 124.453 122.820 -0.022 0.000 1.903 64 A HA -0.327 3.992 4.320 -0.000 0.000 0.219 64 A C 2.178 179.679 177.584 -0.137 0.000 1.191 64 A CA 2.433 54.343 52.037 -0.210 0.000 0.638 64 A CB -0.941 17.836 19.000 -0.371 0.000 0.823 64 A HN 0.440 nan 8.150 nan 0.000 0.451 65 Q N -1.538 118.156 119.800 -0.178 0.000 2.181 65 Q HA -0.249 4.091 4.340 -0.000 0.000 0.205 65 Q C 1.798 177.651 176.000 -0.246 0.000 0.980 65 Q CA 1.822 57.484 55.803 -0.235 0.000 0.862 65 Q CB -0.649 27.866 28.738 -0.372 0.000 0.905 65 Q HN 0.788 nan 8.270 nan 0.000 0.429 66 H N -0.650 118.424 119.070 0.007 0.000 2.403 66 H HA 0.004 4.560 4.556 -0.000 0.000 0.298 66 H C 1.674 176.903 175.328 -0.164 0.000 1.059 66 H CA 1.125 57.124 56.048 -0.082 0.000 1.363 66 H CB -0.264 29.437 29.762 -0.102 0.000 1.410 66 H HN 0.293 nan 8.280 nan 0.000 0.528 67 F N 1.408 121.322 119.950 -0.060 0.000 2.084 67 F HA -0.184 4.343 4.527 -0.001 0.000 0.296 67 F C 2.942 178.645 175.800 -0.162 0.000 1.111 67 F CA 1.836 59.761 58.000 -0.124 0.000 1.224 67 F CB -0.690 38.210 39.000 -0.168 0.000 0.991 67 F HN 0.196 nan 8.300 nan 0.000 0.471 68 T N -2.220 112.345 114.554 0.019 0.000 2.915 68 T HA -0.223 4.126 4.350 -0.000 0.000 0.269 68 T C 1.839 176.535 174.700 -0.007 0.000 1.071 68 T CA 1.259 63.331 62.100 -0.047 0.000 1.132 68 T CB -0.593 68.289 68.868 0.022 0.000 0.878 68 T HN 0.366 nan 8.240 nan 0.000 0.479 69 Q N 0.599 120.404 119.800 0.009 0.000 2.181 69 Q HA -0.096 4.244 4.340 -0.000 0.000 0.205 69 Q C 1.920 177.885 176.000 -0.058 0.000 0.980 69 Q CA 1.164 56.986 55.803 0.032 0.000 0.862 69 Q CB -0.048 28.674 28.738 -0.028 0.000 0.905 69 Q HN 0.341 nan 8.270 nan 0.000 0.429 70 R N -0.336 120.049 120.500 -0.193 0.000 2.328 70 R HA 0.107 4.447 4.340 -0.000 0.000 0.200 70 R C 1.548 177.837 176.300 -0.020 0.000 0.983 70 R CA 0.648 56.659 56.100 -0.148 0.000 1.062 70 R CB -0.419 29.770 30.300 -0.185 0.000 0.956 70 R HN 0.315 nan 8.270 nan 0.000 0.479 71 A N -0.629 122.145 122.820 -0.076 0.000 1.978 71 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 71 A C 0.870 178.485 177.584 0.052 0.000 1.170 71 A CA 1.260 53.226 52.037 -0.118 0.000 0.636 71 A CB -0.096 18.571 19.000 -0.555 0.000 0.810 71 A HN 0.414 nan 8.150 nan 0.000 0.448 72 C N -3.754 115.658 119.300 0.187 0.000 3.113 72 C HA 0.578 5.038 4.460 -0.000 0.000 0.376 72 C C 1.192 176.382 174.990 0.333 0.000 1.077 72 C CA -0.168 59.002 59.018 0.253 0.000 1.253 72 C CB 0.994 28.906 27.740 0.287 0.000 1.637 72 C HN 0.536 nan 8.230 nan 0.000 0.535 73 G N 2.941 111.867 108.800 0.209 0.000 3.020 73 G HA2 0.098 4.058 3.960 -0.000 0.000 0.217 73 G HA3 0.098 4.058 3.960 -0.000 0.000 0.217 73 G C 1.005 175.918 174.900 0.021 0.000 1.144 73 G CA 0.610 45.720 45.100 0.017 0.000 0.760 73 G HN 0.787 nan 8.290 nan 0.000 0.548 74 M N 1.014 120.675 119.600 0.101 0.000 2.073 74 M HA -0.017 4.463 4.480 -0.000 0.000 0.259 74 M C 1.621 178.012 176.300 0.152 0.000 1.079 74 M CA 1.293 56.668 55.300 0.125 0.000 1.131 74 M CB -0.089 32.593 32.600 0.138 0.000 1.316 74 M HN 0.231 nan 8.290 nan 0.000 0.415 75 C N 1.478 120.878 119.300 0.167 0.000 3.057 75 C HA 0.360 4.820 4.460 -0.000 0.000 0.563 75 C C 0.996 176.104 174.990 0.196 0.000 1.129 75 C CA -1.159 57.956 59.018 0.160 0.000 1.284 75 C CB -2.480 25.331 27.740 0.119 0.000 1.532 75 C HN 0.464 nan 8.230 nan 0.000 0.631 76 T N 0.007 114.674 114.554 0.189 0.000 2.724 76 T HA 0.179 4.528 4.350 -0.000 0.000 0.324 76 T C 0.568 175.467 174.700 0.332 0.000 1.071 76 T CA 1.645 63.897 62.100 0.253 0.000 1.061 76 T CB 0.131 69.070 68.868 0.118 0.000 0.990 76 T HN 1.403 nan 8.240 nan 0.000 0.543 77 Y N 0.790 121.214 120.300 0.207 0.000 2.802 77 Y HA -0.387 4.162 4.550 -0.001 0.000 0.485 77 Y C 1.621 177.573 175.900 0.086 0.000 1.190 77 Y CA 3.366 61.562 58.100 0.160 0.000 2.757 77 Y CB -2.132 36.426 38.460 0.163 0.000 0.919 77 Y HN 0.487 nan 8.280 nan 0.000 0.540 78 V N -0.925 118.894 119.914 -0.158 0.000 2.392 78 V HA -0.232 3.888 4.120 -0.000 0.000 0.249 78 V C 2.239 178.051 176.094 -0.470 0.000 1.059 78 V CA 2.557 64.604 62.300 -0.423 0.000 1.051 78 V CB -0.942 30.728 31.823 -0.256 0.000 0.658 78 V HN 0.688 nan 8.190 nan 0.000 0.455 79 H N 1.008 119.996 119.070 -0.136 0.000 2.395 79 H HA 0.157 4.712 4.556 -0.000 0.000 0.299 79 H C 2.581 177.808 175.328 -0.168 0.000 1.070 79 H CA 1.680 57.674 56.048 -0.090 0.000 1.356 79 H CB -0.392 29.467 29.762 0.162 0.000 1.401 79 H HN 0.587 nan 8.280 nan 0.000 0.524 80 A N 1.527 124.314 122.820 -0.056 0.000 1.892 80 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 80 A C 2.511 179.905 177.584 -0.316 0.000 1.188 80 A CA 1.628 53.571 52.037 -0.156 0.000 0.631 80 A CB -0.839 18.119 19.000 -0.070 0.000 0.822 80 A HN 0.294 nan 8.150 nan 0.000 0.447 81 L N -0.415 120.483 121.223 -0.541 0.000 2.017 81 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 81 L C 2.660 179.256 176.870 -0.456 0.000 1.073 81 L CA 2.321 56.819 54.840 -0.570 0.000 0.745 81 L CB -0.827 40.717 42.059 -0.858 0.000 0.894 81 L HN 0.337 nan 8.230 nan 0.000 0.432 82 A N -1.752 120.742 122.820 -0.544 0.000 1.930 82 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 82 A C 2.393 179.675 177.584 -0.503 0.000 1.175 82 A CA 1.743 53.395 52.037 -0.641 0.000 0.627 82 A CB -0.843 17.567 19.000 -0.985 0.000 0.815 82 A HN 0.504 nan 8.150 nan 0.000 0.443 83 S N 0.105 115.609 115.700 -0.327 0.000 2.368 83 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 83 S C 2.324 176.888 174.600 -0.059 0.000 1.029 83 S CA 1.471 59.728 58.200 0.095 0.000 0.988 83 S CB -0.252 63.079 63.200 0.218 0.000 0.838 83 S HN 0.652 nan 8.310 nan 0.000 0.462 84 S N 1.386 116.974 115.700 -0.186 0.000 2.356 84 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 84 S C 1.920 176.381 174.600 -0.231 0.000 1.032 84 S CA 0.903 58.968 58.200 -0.225 0.000 1.005 84 S CB -0.205 62.837 63.200 -0.264 0.000 0.867 84 S HN 0.422 nan 8.310 nan 0.000 0.449 85 R N 0.179 120.527 120.500 -0.253 0.000 2.091 85 R HA -0.115 4.224 4.340 -0.000 0.000 0.238 85 R C 2.724 178.882 176.300 -0.237 0.000 1.136 85 R CA 1.417 57.363 56.100 -0.257 0.000 0.959 85 R CB -0.927 29.183 30.300 -0.317 0.000 0.856 85 R HN 0.494 nan 8.270 nan 0.000 0.437 86 C N 0.355 119.519 119.300 -0.226 0.000 2.413 86 C HA -0.105 4.355 4.460 -0.000 0.000 0.278 86 C C 2.626 177.537 174.990 -0.131 0.000 1.224 86 C CA 0.958 59.861 59.018 -0.192 0.000 1.732 86 C CB -0.774 26.882 27.740 -0.140 0.000 2.050 86 C HN 0.308 nan 8.230 nan 0.000 0.463 87 V N 1.386 121.237 119.914 -0.105 0.000 2.407 87 V HA -0.152 3.967 4.120 -0.000 0.000 0.248 87 V C 2.293 178.263 176.094 -0.207 0.000 1.055 87 V CA 2.427 64.652 62.300 -0.126 0.000 1.049 87 V CB -0.828 30.910 31.823 -0.141 0.000 0.662 87 V HN 0.525 nan 8.190 nan 0.000 0.455 88 D N 0.087 120.343 120.400 -0.240 0.000 2.149 88 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 88 D C 1.933 178.140 176.300 -0.155 0.000 0.990 88 D CA 1.814 55.669 54.000 -0.241 0.000 0.839 88 D CB -0.257 40.411 40.800 -0.219 0.000 0.948 88 D HN 0.541 nan 8.370 nan 0.000 0.460 89 D N 0.030 120.350 120.400 -0.134 0.000 2.149 89 D HA -0.017 4.622 4.640 -0.000 0.000 0.201 89 D C 1.930 178.196 176.300 -0.056 0.000 0.972 89 D CA 1.327 55.272 54.000 -0.092 0.000 0.835 89 D CB -0.038 40.697 40.800 -0.108 0.000 0.966 89 D HN 0.070 nan 8.370 nan 0.000 0.476 90 A N 0.118 122.905 122.820 -0.057 0.000 1.930 90 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 90 A C 2.292 179.872 177.584 -0.007 0.000 1.175 90 A CA 1.849 53.871 52.037 -0.024 0.000 0.627 90 A CB -0.743 18.249 19.000 -0.013 0.000 0.815 90 A HN 0.370 nan 8.150 nan 0.000 0.443 91 V N -5.004 114.896 119.914 -0.024 0.000 3.649 91 V HA 0.182 4.302 4.120 -0.000 0.000 0.275 91 V C 0.265 176.392 176.094 0.054 0.000 1.281 91 V CA 0.501 62.829 62.300 0.047 0.000 1.143 91 V CB -0.568 31.303 31.823 0.080 0.000 0.892 91 V HN 0.377 nan 8.190 nan 0.000 0.441 92 K N -0.269 120.135 120.400 0.006 0.000 3.096 92 K HA -0.139 4.181 4.320 -0.000 0.000 0.266 92 K C -0.300 176.315 176.600 0.026 0.000 1.043 92 K CA 1.014 57.307 56.287 0.011 0.000 0.758 92 K CB -2.455 30.061 32.500 0.025 0.000 1.260 92 K HN 0.622 nan 8.250 nan 0.000 0.481 93 V N 0.701 120.615 119.914 -0.000 0.000 2.481 93 V HA 0.453 4.573 4.120 -0.000 0.000 0.286 93 V C 0.030 176.111 176.094 -0.022 0.000 1.042 93 V CA -0.271 62.037 62.300 0.013 0.000 0.928 93 V CB 1.905 33.733 31.823 0.009 0.000 0.986 93 V HN 0.429 nan 8.190 nan 0.000 0.462 94 S N 7.487 123.188 115.700 0.001 0.000 2.420 94 S HA 0.470 4.940 4.470 -0.000 0.000 0.313 94 S C -0.140 174.457 174.600 -0.005 0.000 1.079 94 S CA -0.875 57.319 58.200 -0.009 0.000 1.104 94 S CB 0.212 63.414 63.200 0.004 0.000 0.969 94 S HN 0.810 nan 8.310 nan 0.000 0.471 95 I N 2.887 123.440 120.570 -0.027 0.000 2.836 95 I HA 0.456 4.626 4.170 -0.000 0.000 0.285 95 I C -2.437 173.678 176.117 -0.004 0.000 1.174 95 I CA -1.846 59.440 61.300 -0.024 0.000 1.405 95 I CB -0.185 37.782 38.000 -0.055 0.000 1.385 95 I HN 0.328 nan 8.210 nan 0.000 0.594 96 P HA 0.135 nan 4.420 nan 0.000 0.272 96 P C 0.411 177.718 177.300 0.011 0.000 1.223 96 P CA -0.173 62.938 63.100 0.019 0.000 0.784 96 P CB 1.019 32.739 31.700 0.033 0.000 0.923 97 A N 2.639 125.469 122.820 0.016 0.000 1.915 97 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 97 A C 1.941 179.531 177.584 0.011 0.000 1.198 97 A CA 2.150 54.196 52.037 0.014 0.000 0.647 97 A CB -1.412 17.601 19.000 0.021 0.000 0.825 97 A HN 0.572 nan 8.150 nan 0.000 0.456 98 N N 0.103 118.812 118.700 0.016 0.000 2.166 98 N HA -0.111 4.628 4.740 -0.000 0.000 0.186 98 N C 1.844 177.355 175.510 0.002 0.000 1.019 98 N CA 1.547 54.605 53.050 0.012 0.000 0.856 98 N CB -0.556 37.944 38.487 0.021 0.000 0.993 98 N HN 0.539 nan 8.380 nan 0.000 0.426 99 A N 1.283 124.101 122.820 -0.003 0.000 1.897 99 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 99 A C 2.273 179.858 177.584 0.002 0.000 1.181 99 A CA 1.078 53.111 52.037 -0.007 0.000 0.620 99 A CB -0.434 18.548 19.000 -0.030 0.000 0.821 99 A HN 0.230 nan 8.150 nan 0.000 0.443 100 R N -0.693 119.801 120.500 -0.009 0.000 2.073 100 R HA -0.129 4.210 4.340 -0.000 0.000 0.234 100 R C 2.119 178.405 176.300 -0.022 0.000 1.134 100 R CA 2.011 58.101 56.100 -0.017 0.000 0.952 100 R CB -0.341 29.947 30.300 -0.019 0.000 0.850 100 R HN 0.544 nan 8.270 nan 0.000 0.433 101 M N -0.111 119.476 119.600 -0.022 0.000 2.117 101 M HA -0.176 4.303 4.480 -0.000 0.000 0.262 101 M C 2.528 178.809 176.300 -0.031 0.000 1.065 101 M CA 1.746 57.023 55.300 -0.038 0.000 1.114 101 M CB -0.201 32.392 32.600 -0.012 0.000 1.361 101 M HN 0.280 nan 8.290 nan 0.000 0.408 102 M N -0.094 119.505 119.600 -0.002 0.000 2.132 102 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 102 M C 2.183 178.539 176.300 0.093 0.000 1.065 102 M CA 1.724 57.025 55.300 0.001 0.000 1.122 102 M CB -0.076 32.543 32.600 0.033 0.000 1.365 102 M HN 0.107 nan 8.290 nan 0.000 0.411 103 R N 0.006 120.610 120.500 0.174 0.000 2.081 103 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 103 R C 1.689 178.110 176.300 0.201 0.000 1.131 103 R CA 1.658 57.925 56.100 0.279 0.000 0.960 103 R CB -0.532 29.861 30.300 0.155 0.000 0.856 103 R HN 0.454 nan 8.270 nan 0.000 0.436 104 N N 0.584 119.315 118.700 0.052 0.000 2.270 104 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 104 N C 1.744 177.261 175.510 0.011 0.000 1.016 104 N CA 0.849 53.897 53.050 -0.004 0.000 0.870 104 N CB -0.087 38.321 38.487 -0.131 0.000 0.979 104 N HN 0.167 nan 8.380 nan 0.000 0.431 105 L N 0.011 121.217 121.223 -0.027 0.000 2.109 105 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 105 L C 1.926 178.836 176.870 0.066 0.000 1.086 105 L CA 0.572 55.434 54.840 0.037 0.000 0.760 105 L CB -0.136 41.946 42.059 0.039 0.000 0.910 105 L HN -0.017 nan 8.230 nan 0.000 0.437 106 V N -0.619 119.253 119.914 -0.069 0.000 2.427 106 V HA -0.321 3.798 4.120 -0.000 0.000 0.248 106 V C 2.408 178.469 176.094 -0.056 0.000 1.051 106 V CA 1.721 63.871 62.300 -0.250 0.000 1.048 106 V CB -0.381 31.019 31.823 -0.706 0.000 0.666 106 V HN 0.431 nan 8.190 nan 0.000 0.456 107 M N 1.047 120.784 119.600 0.229 0.000 2.108 107 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 107 M C 2.032 178.549 176.300 0.363 0.000 1.066 107 M CA 2.186 57.720 55.300 0.391 0.000 1.107 107 M CB -0.765 31.967 32.600 0.221 0.000 1.356 107 M HN 0.263 nan 8.290 nan 0.000 0.406 108 A N -1.238 121.775 122.820 0.322 0.000 1.877 108 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 108 A C 2.264 179.994 177.584 0.244 0.000 1.186 108 A CA 2.232 54.397 52.037 0.213 0.000 0.620 108 A CB -1.223 17.836 19.000 0.097 0.000 0.822 108 A HN 0.571 nan 8.150 nan 0.000 0.443 109 S N -0.639 115.190 115.700 0.216 0.000 2.383 109 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 109 S C 2.138 176.866 174.600 0.212 0.000 1.030 109 S CA 1.702 60.014 58.200 0.187 0.000 1.002 109 S CB -0.279 63.027 63.200 0.178 0.000 0.829 109 S HN 0.677 nan 8.310 nan 0.000 0.467 110 Q N 0.366 120.313 119.800 0.245 0.000 2.079 110 Q HA -0.076 4.263 4.340 -0.000 0.000 0.200 110 Q C 1.606 177.775 176.000 0.282 0.000 0.974 110 Q CA 1.597 57.562 55.803 0.269 0.000 0.840 110 Q CB -0.665 28.265 28.738 0.320 0.000 0.898 110 Q HN 0.552 nan 8.270 nan 0.000 0.430 111 Y N 0.311 120.667 120.300 0.093 0.000 2.114 111 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 111 Y C 2.045 177.902 175.900 -0.072 0.000 1.165 111 Y CA 1.554 59.607 58.100 -0.077 0.000 1.148 111 Y CB -0.417 38.099 38.460 0.093 0.000 0.972 111 Y HN 0.120 nan 8.280 nan 0.000 0.504 112 L N -1.452 119.929 121.223 0.263 0.000 1.994 112 L HA -0.278 4.062 4.340 -0.000 0.000 0.208 112 L C 2.612 179.605 176.870 0.205 0.000 1.071 112 L CA 1.902 56.881 54.840 0.231 0.000 0.745 112 L CB -0.955 41.221 42.059 0.195 0.000 0.892 112 L HN 0.354 nan 8.230 nan 0.000 0.431 113 H N 0.065 119.209 119.070 0.123 0.000 2.319 113 H HA -0.232 4.324 4.556 -0.000 0.000 0.299 113 H C 1.884 177.285 175.328 0.121 0.000 1.092 113 H CA 2.182 58.294 56.048 0.106 0.000 1.302 113 H CB 0.085 29.896 29.762 0.082 0.000 1.373 113 H HN 0.331 nan 8.280 nan 0.000 0.497 114 D N -0.319 120.181 120.400 0.167 0.000 2.084 114 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 114 D C 2.077 178.489 176.300 0.187 0.000 0.985 114 D CA 0.962 55.047 54.000 0.142 0.000 0.826 114 D CB -0.171 40.676 40.800 0.079 0.000 0.978 114 D HN 0.463 nan 8.370 nan 0.000 0.456 115 H N 0.285 119.429 119.070 0.122 0.000 2.423 115 H HA 0.015 4.571 4.556 -0.000 0.000 0.297 115 H C 2.316 177.655 175.328 0.018 0.000 1.075 115 H CA 0.379 56.509 56.048 0.138 0.000 1.342 115 H CB -0.441 29.463 29.762 0.236 0.000 1.395 115 H HN 0.206 nan 8.280 nan 0.000 0.530 116 L N -0.476 120.805 121.223 0.097 0.000 2.056 116 L HA -0.132 4.207 4.340 -0.000 0.000 0.207 116 L C 2.451 179.335 176.870 0.022 0.000 1.078 116 L CA 0.685 55.514 54.840 -0.018 0.000 0.749 116 L CB -0.273 41.842 42.059 0.093 0.000 0.901 116 L HN 0.092 nan 8.230 nan 0.000 0.433 117 V N -0.841 119.073 119.914 -0.000 0.000 2.358 117 V HA -0.324 3.795 4.120 -0.000 0.000 0.246 117 V C 2.481 178.620 176.094 0.075 0.000 1.047 117 V CA 1.836 64.178 62.300 0.069 0.000 1.035 117 V CB -0.816 30.999 31.823 -0.013 0.000 0.658 117 V HN 0.542 nan 8.190 nan 0.000 0.452 118 H N -0.777 118.322 119.070 0.048 0.000 2.321 118 H HA -0.224 4.332 4.556 -0.000 0.000 0.300 118 H C 2.295 177.646 175.328 0.037 0.000 1.087 118 H CA 2.431 58.513 56.048 0.057 0.000 1.319 118 H CB -0.165 29.659 29.762 0.102 0.000 1.379 118 H HN 0.418 nan 8.280 nan 0.000 0.501 119 F N 0.790 120.655 119.950 -0.142 0.000 2.075 119 F HA -0.245 4.282 4.527 -0.001 0.000 0.297 119 F C 1.971 177.554 175.800 -0.361 0.000 1.113 119 F CA 1.630 59.465 58.000 -0.274 0.000 1.218 119 F CB -0.856 37.807 39.000 -0.562 0.000 0.984 119 F HN 0.077 nan 8.300 nan 0.000 0.472 120 Y N -0.574 119.481 120.300 -0.408 0.000 2.206 120 Y HA -0.092 4.458 4.550 -0.000 0.000 0.292 120 Y C 2.568 178.194 175.900 -0.457 0.000 1.123 120 Y CA 2.237 60.004 58.100 -0.556 0.000 1.142 120 Y CB -0.930 37.094 38.460 -0.727 0.000 1.006 120 Y HN 0.192 nan 8.280 nan 0.000 0.518 121 H N -2.237 116.804 119.070 -0.049 0.000 2.595 121 H HA 0.080 4.636 4.556 -0.000 0.000 0.265 121 H C 1.478 176.781 175.328 -0.040 0.000 0.953 121 H CA 0.739 56.742 56.048 -0.076 0.000 1.197 121 H CB 0.324 29.969 29.762 -0.195 0.000 1.438 121 H HN 0.195 nan 8.280 nan 0.000 0.531 122 M N -1.489 118.039 119.600 -0.120 0.000 2.740 122 M HA 0.077 4.557 4.480 -0.000 0.000 0.253 122 M C 1.467 177.478 176.300 -0.481 0.000 1.341 122 M CA 1.065 56.181 55.300 -0.306 0.000 1.176 122 M CB -0.286 32.101 32.600 -0.355 0.000 1.310 122 M HN 0.357 nan 8.290 nan 0.000 0.531 123 H N 0.124 118.837 119.070 -0.596 0.000 2.439 123 H HA 0.272 4.828 4.556 -0.000 0.000 0.299 123 H C 2.006 177.209 175.328 -0.207 0.000 1.033 123 H CA 0.771 56.559 56.048 -0.433 0.000 1.348 123 H CB 0.843 30.394 29.762 -0.352 0.000 1.449 123 H HN 0.295 nan 8.280 nan 0.000 0.544 124 A N 1.219 123.865 122.820 -0.291 0.000 1.940 124 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 124 A C 2.165 179.734 177.584 -0.026 0.000 1.176 124 A CA 1.032 52.902 52.037 -0.278 0.000 0.631 124 A CB -0.794 17.947 19.000 -0.431 0.000 0.814 124 A HN 0.416 nan 8.150 nan 0.000 0.446 125 L N -0.352 120.893 121.223 0.037 0.000 2.549 125 L HA -0.125 4.215 4.340 -0.000 0.000 0.229 125 L C 1.093 178.080 176.870 0.195 0.000 1.158 125 L CA 0.610 55.550 54.840 0.166 0.000 0.842 125 L CB -0.454 41.754 42.059 0.248 0.000 0.952 125 L HN 0.288 nan 8.230 nan 0.000 0.452 126 D N -1.179 119.163 120.400 -0.097 0.000 2.333 126 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 126 D C 1.524 177.244 176.300 -0.967 0.000 0.984 126 D CA 0.953 54.656 54.000 -0.494 0.000 0.873 126 D CB 0.133 40.458 40.800 -0.793 0.000 0.935 126 D HN 0.392 nan 8.370 nan 0.000 0.521 127 W N -0.048 121.007 121.300 -0.408 0.000 2.873 127 W HA 0.244 4.904 4.660 -0.001 0.000 0.282 127 W C 0.122 176.581 176.519 -0.101 0.000 1.118 127 W CA -0.141 56.862 57.345 -0.570 0.000 1.480 127 W CB 0.629 29.691 29.460 -0.663 0.000 0.954 127 W HN -0.371 nan 8.180 nan 0.000 0.591 128 V N 2.229 122.262 119.914 0.199 0.000 2.417 128 V HA 0.184 4.304 4.120 -0.000 0.000 0.291 128 V C -0.644 175.292 176.094 -0.262 0.000 1.024 128 V CA -0.616 61.704 62.300 0.033 0.000 0.861 128 V CB 1.502 33.283 31.823 -0.071 0.000 0.985 128 V HN -0.159 nan 8.190 nan 0.000 0.436 129 D N 4.137 124.262 120.400 -0.459 0.000 2.411 129 D HA 0.216 4.856 4.640 -0.000 0.000 0.225 129 D C 0.823 176.497 176.300 -1.043 0.000 1.156 129 D CA -0.113 53.184 54.000 -1.171 0.000 0.874 129 D CB 1.744 42.164 40.800 -0.632 0.000 1.034 129 D HN 0.222 nan 8.370 nan 0.000 0.502 130 V N 3.381 122.411 119.914 -1.472 0.000 2.427 130 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 130 V C 2.622 178.389 176.094 -0.544 0.000 1.051 130 V CA 2.305 64.103 62.300 -0.838 0.000 1.048 130 V CB -0.889 30.380 31.823 -0.923 0.000 0.666 130 V HN 0.756 nan 8.190 nan 0.000 0.456 131 T N -0.929 113.357 114.554 -0.446 0.000 2.833 131 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 131 T C 1.911 176.512 174.700 -0.164 0.000 1.054 131 T CA 1.435 63.433 62.100 -0.170 0.000 1.135 131 T CB -0.440 68.438 68.868 0.018 0.000 0.869 131 T HN 0.455 nan 8.240 nan 0.000 0.466 132 A N 1.882 124.567 122.820 -0.227 0.000 1.972 132 A HA 0.356 4.676 4.320 -0.000 0.000 0.219 132 A C 2.819 180.315 177.584 -0.146 0.000 1.169 132 A CA 1.665 53.607 52.037 -0.159 0.000 0.635 132 A CB -1.377 17.524 19.000 -0.164 0.000 0.810 132 A HN 0.812 nan 8.150 nan 0.000 0.446 133 A N -0.111 122.594 122.820 -0.191 0.000 2.084 133 A HA -0.092 4.228 4.320 -0.000 0.000 0.221 133 A C 1.970 179.491 177.584 -0.105 0.000 1.161 133 A CA 1.489 53.434 52.037 -0.154 0.000 0.653 133 A CB -0.624 18.264 19.000 -0.187 0.000 0.802 133 A HN 0.530 nan 8.150 nan 0.000 0.457 134 L N -1.445 119.722 121.223 -0.093 0.000 2.376 134 L HA -0.048 4.291 4.340 -0.000 0.000 0.219 134 L C 1.710 178.554 176.870 -0.043 0.000 1.133 134 L CA 0.912 55.719 54.840 -0.055 0.000 0.816 134 L CB -0.267 41.769 42.059 -0.039 0.000 0.933 134 L HN 0.286 nan 8.230 nan 0.000 0.449 135 K N 0.441 120.810 120.400 -0.051 0.000 2.410 135 K HA 0.290 4.610 4.320 -0.000 0.000 0.200 135 K C 0.406 176.983 176.600 -0.039 0.000 1.023 135 K CA -0.201 56.063 56.287 -0.038 0.000 1.149 135 K CB 0.646 33.124 32.500 -0.036 0.000 0.859 135 K HN 0.116 nan 8.250 nan 0.000 0.514 136 A N 1.639 124.431 122.820 -0.046 0.000 2.310 136 A HA 0.120 4.440 4.320 -0.000 0.000 0.299 136 A C -0.467 177.099 177.584 -0.030 0.000 1.147 136 A CA -0.545 51.467 52.037 -0.043 0.000 0.818 136 A CB 0.532 19.498 19.000 -0.056 0.000 1.096 136 A HN 0.120 nan 8.150 nan 0.000 0.495 137 D N 2.897 123.283 120.400 -0.023 0.000 2.336 137 D HA 0.224 4.864 4.640 -0.000 0.000 0.249 137 D C -1.713 174.577 176.300 -0.017 0.000 1.213 137 D CA -1.545 52.445 54.000 -0.016 0.000 0.870 137 D CB 1.285 42.079 40.800 -0.011 0.000 1.076 137 D HN 0.124 nan 8.370 nan 0.000 0.483 138 P HA -0.077 nan 4.420 nan 0.000 0.217 138 P C 1.037 178.332 177.300 -0.009 0.000 1.150 138 P CA 0.659 63.749 63.100 -0.015 0.000 0.832 138 P CB 0.388 32.081 31.700 -0.012 0.000 0.787 139 N N -0.416 118.281 118.700 -0.006 0.000 2.244 139 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 139 N C 1.632 177.142 175.510 -0.000 0.000 1.016 139 N CA 1.044 54.093 53.050 -0.002 0.000 0.866 139 N CB -0.310 38.177 38.487 -0.001 0.000 0.980 139 N HN 0.234 nan 8.380 nan 0.000 0.430 140 K N 0.757 121.155 120.400 -0.003 0.000 2.103 140 K HA 0.090 4.410 4.320 -0.000 0.000 0.204 140 K C 1.850 178.450 176.600 0.000 0.000 1.052 140 K CA 0.841 57.127 56.287 -0.000 0.000 0.945 140 K CB 0.056 32.554 32.500 -0.002 0.000 0.722 140 K HN 0.053 nan 8.250 nan 0.000 0.443 141 A N 0.718 123.534 122.820 -0.007 0.000 1.968 141 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 141 A C 2.207 179.790 177.584 -0.003 0.000 1.169 141 A CA 1.427 53.457 52.037 -0.011 0.000 0.638 141 A CB -0.508 18.476 19.000 -0.027 0.000 0.812 141 A HN 0.411 nan 8.150 nan 0.000 0.446 142 A N 0.297 123.116 122.820 -0.000 0.000 1.873 142 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 142 A C 2.065 179.657 177.584 0.012 0.000 1.186 142 A CA 1.631 53.672 52.037 0.007 0.000 0.616 142 A CB -0.382 18.621 19.000 0.006 0.000 0.823 142 A HN 0.484 nan 8.150 nan 0.000 0.442 143 K N -0.874 119.532 120.400 0.010 0.000 2.288 143 K HA 0.016 4.336 4.320 -0.000 0.000 0.201 143 K C 1.732 178.342 176.600 0.016 0.000 1.048 143 K CA 0.803 57.097 56.287 0.012 0.000 0.956 143 K CB -0.205 32.300 32.500 0.009 0.000 0.746 143 K HN 0.381 nan 8.250 nan 0.000 0.461 144 L N 1.016 122.251 121.223 0.019 0.000 2.072 144 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 144 L C 2.186 179.077 176.870 0.035 0.000 1.079 144 L CA 1.420 56.278 54.840 0.030 0.000 0.752 144 L CB -0.448 41.632 42.059 0.035 0.000 0.906 144 L HN 0.067 nan 8.230 nan 0.000 0.436 145 A N -0.660 122.180 122.820 0.034 0.000 2.015 145 A HA -0.016 4.303 4.320 -0.000 0.000 0.219 145 A C 2.375 179.981 177.584 0.037 0.000 1.163 145 A CA 1.342 53.407 52.037 0.047 0.000 0.646 145 A CB -0.925 18.109 19.000 0.057 0.000 0.806 145 A HN 0.513 nan 8.150 nan 0.000 0.448 146 A N 0.230 123.065 122.820 0.026 0.000 2.015 146 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 146 A C 2.403 179.993 177.584 0.009 0.000 1.163 146 A CA 1.995 54.042 52.037 0.016 0.000 0.646 146 A CB -0.620 18.387 19.000 0.012 0.000 0.806 146 A HN 0.906 nan 8.150 nan 0.000 0.448 147 S N -0.048 115.659 115.700 0.012 0.000 2.458 147 S HA 0.036 4.505 4.470 -0.000 0.000 0.223 147 S C 1.560 176.161 174.600 0.001 0.000 1.019 147 S CA 0.820 59.024 58.200 0.005 0.000 0.937 147 S CB -0.548 62.657 63.200 0.009 0.000 0.788 147 S HN 0.837 nan 8.310 nan 0.000 0.511 148 I N -1.681 118.896 120.570 0.011 0.000 4.139 148 I HA 0.704 4.874 4.170 -0.000 0.000 0.335 148 I C 0.418 176.534 176.117 -0.003 0.000 1.327 148 I CA -0.575 60.729 61.300 0.006 0.000 1.112 148 I CB 0.560 38.576 38.000 0.028 0.000 1.058 148 I HN 0.332 nan 8.210 nan 0.000 0.396 149 A N 1.078 123.899 122.820 0.002 0.000 2.594 149 A HA 0.835 5.155 4.320 -0.000 0.000 0.291 149 A C -2.885 174.690 177.584 -0.016 0.000 1.105 149 A CA -1.394 50.635 52.037 -0.012 0.000 0.694 149 A CB 0.466 19.472 19.000 0.011 0.000 1.291 149 A HN -0.033 nan 8.150 nan 0.000 0.410 150 P HA 0.378 nan 4.420 nan 0.000 0.268 150 P C 0.022 177.314 177.300 -0.013 0.000 1.205 150 P CA 0.249 63.332 63.100 -0.028 0.000 0.771 150 P CB 0.600 32.276 31.700 -0.041 0.000 0.858 151 A N 4.162 126.977 122.820 -0.008 0.000 2.565 151 A HA 0.306 4.626 4.320 -0.000 0.000 0.237 151 A C 0.547 178.133 177.584 0.004 0.000 1.053 151 A CA 0.407 52.445 52.037 0.002 0.000 0.755 151 A CB -0.395 18.605 19.000 -0.000 0.000 0.980 151 A HN 0.723 nan 8.150 nan 0.000 0.506 152 R N 2.048 122.558 120.500 0.016 0.000 2.604 152 R HA 0.390 4.730 4.340 -0.000 0.000 0.261 152 R C -2.911 173.408 176.300 0.032 0.000 1.080 152 R CA -1.305 54.807 56.100 0.021 0.000 0.917 152 R CB 0.785 31.096 30.300 0.020 0.000 1.252 152 R HN 0.357 nan 8.270 nan 0.000 0.456 153 P HA -0.125 nan 4.420 nan 0.000 0.218 153 P C 1.271 178.593 177.300 0.037 0.000 1.148 153 P CA 1.823 64.938 63.100 0.026 0.000 0.822 153 P CB -0.036 31.675 31.700 0.018 0.000 0.784 154 G N 0.075 108.908 108.800 0.054 0.000 2.498 154 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 154 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 154 G C 1.147 176.108 174.900 0.101 0.000 1.119 154 G CA 0.355 45.502 45.100 0.079 0.000 0.766 154 G HN 0.270 nan 8.290 nan 0.000 0.552 155 N N 0.338 119.095 118.700 0.094 0.000 2.235 155 N HA 0.113 4.853 4.740 -0.000 0.000 0.209 155 N C 0.666 176.202 175.510 0.043 0.000 1.122 155 N CA 0.005 53.106 53.050 0.086 0.000 0.845 155 N CB 0.630 39.183 38.487 0.110 0.000 1.004 155 N HN 0.296 nan 8.380 nan 0.000 0.499 156 S N -0.645 115.075 115.700 0.033 0.000 2.593 156 S HA 0.455 4.925 4.470 -0.000 0.000 0.269 156 S C 1.599 176.206 174.600 0.012 0.000 1.334 156 S CA -0.297 57.914 58.200 0.019 0.000 1.015 156 S CB 1.541 64.751 63.200 0.016 0.000 0.912 156 S HN 0.205 nan 8.310 nan 0.000 0.541 157 A N 1.752 124.576 122.820 0.007 0.000 1.917 157 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 157 A C 2.138 179.723 177.584 0.002 0.000 1.182 157 A CA 1.987 54.025 52.037 0.003 0.000 0.633 157 A CB -0.961 18.040 19.000 0.002 0.000 0.819 157 A HN 0.964 nan 8.150 nan 0.000 0.448 158 K N -0.366 120.037 120.400 0.004 0.000 2.009 158 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 158 K C 2.069 178.671 176.600 0.004 0.000 1.049 158 K CA 1.570 57.860 56.287 0.004 0.000 0.929 158 K CB -0.371 32.132 32.500 0.005 0.000 0.714 158 K HN 0.364 nan 8.250 nan 0.000 0.440 159 A N 0.826 123.650 122.820 0.007 0.000 2.014 159 A HA 0.007 4.326 4.320 -0.000 0.000 0.218 159 A C 2.035 179.621 177.584 0.004 0.000 1.163 159 A CA 0.858 52.900 52.037 0.008 0.000 0.652 159 A CB -0.308 18.702 19.000 0.017 0.000 0.808 159 A HN 0.331 nan 8.150 nan 0.000 0.449 160 L N -0.944 120.278 121.223 -0.001 0.000 2.179 160 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 160 L C 2.475 179.336 176.870 -0.015 0.000 1.096 160 L CA 1.366 56.197 54.840 -0.014 0.000 0.779 160 L CB -0.337 41.709 42.059 -0.021 0.000 0.922 160 L HN 0.401 nan 8.230 nan 0.000 0.443 161 K N 0.952 121.347 120.400 -0.008 0.000 2.057 161 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 161 K C 2.182 178.782 176.600 -0.002 0.000 1.050 161 K CA 1.258 57.542 56.287 -0.006 0.000 0.935 161 K CB -0.039 32.460 32.500 -0.002 0.000 0.715 161 K HN 0.231 nan 8.250 nan 0.000 0.439 162 A N 0.706 123.526 122.820 0.001 0.000 1.933 162 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 162 A C 2.213 179.801 177.584 0.006 0.000 1.175 162 A CA 1.484 53.524 52.037 0.005 0.000 0.628 162 A CB -0.582 18.421 19.000 0.005 0.000 0.814 162 A HN 0.177 nan 8.150 nan 0.000 0.444 163 V N -0.231 119.682 119.914 -0.001 0.000 2.261 163 V HA -0.317 3.802 4.120 -0.000 0.000 0.246 163 V C 2.709 178.800 176.094 -0.005 0.000 1.047 163 V CA 2.334 64.632 62.300 -0.003 0.000 1.015 163 V CB -0.763 31.052 31.823 -0.013 0.000 0.642 163 V HN 0.708 nan 8.190 nan 0.000 0.446 164 Q N -0.529 119.263 119.800 -0.013 0.000 2.061 164 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 164 Q C 2.045 178.049 176.000 0.007 0.000 0.984 164 Q CA 2.078 57.872 55.803 -0.014 0.000 0.846 164 Q CB -0.148 28.578 28.738 -0.020 0.000 0.902 164 Q HN 0.648 nan 8.270 nan 0.000 0.421 165 D N 0.142 120.550 120.400 0.013 0.000 2.123 165 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 165 D C 1.643 177.970 176.300 0.045 0.000 0.992 165 D CA 1.070 55.085 54.000 0.025 0.000 0.833 165 D CB -0.123 40.689 40.800 0.021 0.000 0.954 165 D HN 0.174 nan 8.370 nan 0.000 0.455 166 K N 0.000 120.427 120.400 0.044 0.000 2.097 166 K HA -0.091 4.228 4.320 -0.000 0.000 0.205 166 K C 2.103 178.765 176.600 0.103 0.000 1.050 166 K CA 0.340 56.667 56.287 0.066 0.000 0.938 166 K CB -0.104 32.424 32.500 0.046 0.000 0.718 166 K HN 0.033 nan 8.250 nan 0.000 0.442 167 L N 1.424 122.691 121.223 0.072 0.000 2.109 167 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 167 L C 2.308 179.270 176.870 0.154 0.000 1.086 167 L CA 1.566 56.464 54.840 0.096 0.000 0.760 167 L CB -0.240 41.822 42.059 0.006 0.000 0.910 167 L HN 0.018 nan 8.230 nan 0.000 0.437 168 K N -0.863 119.592 120.400 0.092 0.000 2.026 168 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 168 K C 2.033 178.693 176.600 0.099 0.000 1.048 168 K CA 1.319 57.652 56.287 0.076 0.000 0.929 168 K CB -0.197 32.328 32.500 0.042 0.000 0.713 168 K HN 0.386 nan 8.250 nan 0.000 0.439 169 A N 0.754 123.640 122.820 0.109 0.000 1.908 169 A HA -0.198 4.121 4.320 -0.000 0.000 0.218 169 A C 2.004 179.668 177.584 0.133 0.000 1.181 169 A CA 1.476 53.574 52.037 0.102 0.000 0.627 169 A CB -0.844 18.216 19.000 0.099 0.000 0.818 169 A HN 0.492 nan 8.150 nan 0.000 0.445 170 F N 0.645 120.625 119.950 0.049 0.000 2.069 170 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 170 F C 2.299 178.143 175.800 0.073 0.000 1.113 170 F CA 2.163 60.206 58.000 0.070 0.000 1.214 170 F CB -0.333 38.731 39.000 0.108 0.000 0.978 170 F HN 0.033 nan 8.300 nan 0.000 0.474 171 V N 0.403 120.428 119.914 0.185 0.000 2.358 171 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 171 V C 2.135 178.221 176.094 -0.013 0.000 1.047 171 V CA 2.255 64.600 62.300 0.076 0.000 1.035 171 V CB -0.703 31.193 31.823 0.121 0.000 0.658 171 V HN 0.349 nan 8.190 nan 0.000 0.452 172 E N 0.633 120.837 120.200 0.006 0.000 2.333 172 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 172 E C 2.228 178.805 176.600 -0.039 0.000 1.007 172 E CA 1.286 57.681 56.400 -0.008 0.000 0.845 172 E CB -0.163 29.542 29.700 0.009 0.000 0.766 172 E HN 0.776 nan 8.360 nan 0.000 0.507 173 S N -0.754 114.899 115.700 -0.079 0.000 2.481 173 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 173 S C 1.832 176.364 174.600 -0.114 0.000 0.996 173 S CA 0.603 58.741 58.200 -0.102 0.000 0.942 173 S CB 0.108 63.218 63.200 -0.151 0.000 0.768 173 S HN 0.388 nan 8.310 nan 0.000 0.520 174 G N 0.628 109.354 108.800 -0.124 0.000 2.234 174 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 174 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 174 G C 0.026 174.846 174.900 -0.133 0.000 0.987 174 G CA 0.293 45.334 45.100 -0.099 0.000 0.625 174 G HN 0.610 nan 8.290 nan 0.000 0.532 175 Q N 0.281 119.949 119.800 -0.221 0.000 2.569 175 Q HA 0.590 4.930 4.340 -0.000 0.000 0.226 175 Q C 1.450 177.199 176.000 -0.418 0.000 1.136 175 Q CA -0.486 55.172 55.803 -0.241 0.000 0.947 175 Q CB 0.551 29.166 28.738 -0.204 0.000 1.218 175 Q HN 0.489 nan 8.270 nan 0.000 0.547 176 L N 0.818 121.914 121.223 -0.212 0.000 2.552 176 L HA 0.026 4.366 4.340 -0.000 0.000 0.227 176 L C 1.439 178.400 176.870 0.152 0.000 1.146 176 L CA 0.431 55.242 54.840 -0.048 0.000 0.858 176 L CB -0.719 41.420 42.059 0.134 0.000 0.969 176 L HN 0.889 nan 8.230 nan 0.000 0.451 177 G N 2.562 111.383 108.800 0.035 0.000 2.665 177 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.326 177 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.326 177 G C 0.912 175.803 174.900 -0.016 0.000 1.231 177 G CA 0.819 45.957 45.100 0.064 0.000 0.992 177 G HN 0.509 nan 8.290 nan 0.000 0.549 178 I N -1.849 118.624 120.570 -0.161 0.000 3.083 178 I HA 0.253 4.423 4.170 -0.000 0.000 0.273 178 I C 2.033 177.992 176.117 -0.262 0.000 1.297 178 I CA 1.578 62.715 61.300 -0.272 0.000 1.452 178 I CB -0.330 37.447 38.000 -0.371 0.000 1.078 178 I HN 0.180 nan 8.210 nan 0.000 0.484 179 F N 1.300 121.311 119.950 0.102 0.000 2.749 179 F HA 0.219 4.745 4.527 -0.000 0.000 0.300 179 F C 1.288 177.059 175.800 -0.048 0.000 1.103 179 F CA -0.567 57.452 58.000 0.032 0.000 1.342 179 F CB -1.117 37.973 39.000 0.150 0.000 1.098 179 F HN -0.130 nan 8.300 nan 0.000 0.586 180 T N 3.042 117.662 114.554 0.110 0.000 2.819 180 T HA -0.124 4.226 4.350 -0.000 0.000 0.282 180 T C 0.645 175.341 174.700 -0.006 0.000 1.013 180 T CA 0.343 62.468 62.100 0.041 0.000 1.159 180 T CB -0.225 68.653 68.868 0.016 0.000 1.007 180 T HN 0.298 nan 8.240 nan 0.000 0.514 181 N N -0.741 117.950 118.700 -0.015 0.000 2.693 181 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 181 N C 0.254 175.717 175.510 -0.079 0.000 1.119 181 N CA 0.883 53.921 53.050 -0.021 0.000 0.717 181 N CB -1.688 36.808 38.487 0.016 0.000 1.071 181 N HN 0.958 nan 8.380 nan 0.000 0.555 182 A N -0.398 122.288 122.820 -0.223 0.000 2.507 182 A HA 0.179 4.499 4.320 -0.000 0.000 0.235 182 A C 1.118 178.502 177.584 -0.333 0.000 1.070 182 A CA 0.042 51.785 52.037 -0.491 0.000 0.768 182 A CB 0.153 18.512 19.000 -1.069 0.000 1.011 182 A HN 0.221 nan 8.150 nan 0.000 0.502 183 Y N 1.009 121.102 120.300 -0.345 0.000 2.421 183 Y HA -0.129 4.421 4.550 -0.000 0.000 0.292 183 Y C 1.703 177.571 175.900 -0.054 0.000 1.136 183 Y CA 1.514 59.570 58.100 -0.074 0.000 1.255 183 Y CB -0.839 37.673 38.460 0.088 0.000 0.991 183 Y HN 0.792 nan 8.280 nan 0.000 0.552 184 F N -1.621 118.277 119.950 -0.086 0.000 2.776 184 F HA 0.259 4.786 4.527 -0.000 0.000 0.300 184 F C 0.404 176.097 175.800 -0.179 0.000 1.116 184 F CA -0.935 56.809 58.000 -0.427 0.000 1.375 184 F CB -1.283 37.061 39.000 -1.092 0.000 1.109 184 F HN -0.300 nan 8.300 nan 0.000 0.585 185 L N 2.366 123.531 121.223 -0.096 0.000 2.559 185 L HA 0.232 4.572 4.340 -0.000 0.000 0.274 185 L C 1.459 178.358 176.870 0.049 0.000 1.205 185 L CA 0.880 55.729 54.840 0.016 0.000 0.907 185 L CB -0.372 41.652 42.059 -0.058 0.000 1.153 185 L HN 0.653 nan 8.230 nan 0.000 0.490 186 G N 2.226 111.062 108.800 0.060 0.000 2.153 186 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.252 186 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.252 186 G C 0.572 175.503 174.900 0.052 0.000 0.994 186 G CA 0.277 45.403 45.100 0.043 0.000 0.698 186 G HN 1.516 nan 8.290 nan 0.000 0.521 187 G N -1.382 107.463 108.800 0.076 0.000 2.705 187 G HA2 0.363 4.323 3.960 -0.000 0.000 0.686 187 G HA3 0.363 4.323 3.960 -0.000 0.000 0.686 187 G C -0.810 174.192 174.900 0.171 0.000 1.285 187 G CA 0.397 45.557 45.100 0.100 0.000 0.800 187 G HN 2.061 nan 8.290 nan 0.000 0.611 188 H N 1.507 120.655 119.070 0.129 0.000 3.099 188 H HA 0.306 4.862 4.556 -0.000 0.000 0.342 188 H C 1.197 176.696 175.328 0.285 0.000 1.054 188 H CA -0.520 55.659 56.048 0.217 0.000 1.328 188 H CB 1.333 31.295 29.762 0.334 0.000 1.876 188 H HN 0.578 nan 8.280 nan 0.000 0.495 189 K N 2.471 123.099 120.400 0.379 0.000 2.113 189 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 189 K C 1.540 178.487 176.600 0.577 0.000 1.047 189 K CA 1.676 58.196 56.287 0.389 0.000 0.928 189 K CB 0.166 32.802 32.500 0.227 0.000 0.716 189 K HN 0.491 nan 8.250 nan 0.000 0.446 190 A N 0.036 123.288 122.820 0.720 0.000 2.238 190 A HA -0.000 4.319 4.320 -0.000 0.000 0.208 190 A C -0.138 177.429 177.584 -0.027 0.000 1.177 190 A CA 0.213 52.459 52.037 0.348 0.000 0.804 190 A CB -0.060 19.038 19.000 0.164 0.000 0.823 190 A HN 0.156 nan 8.150 nan 0.000 0.482 191 Y N -0.455 119.947 120.300 0.171 0.000 2.404 191 Y HA 0.375 4.924 4.550 -0.000 0.000 0.344 191 Y C 0.458 176.510 175.900 0.253 0.000 0.970 191 Y CA -0.393 57.785 58.100 0.131 0.000 1.180 191 Y CB 0.655 39.175 38.460 0.099 0.000 1.138 191 Y HN 0.300 nan 8.280 nan 0.000 0.510 192 Y N 0.934 121.341 120.300 0.177 0.000 2.481 192 Y HA 0.198 4.748 4.550 -0.000 0.000 0.258 192 Y C 0.717 176.505 175.900 -0.187 0.000 1.103 192 Y CA -0.799 57.252 58.100 -0.083 0.000 1.287 192 Y CB -0.256 37.993 38.460 -0.352 0.000 1.108 192 Y HN 0.356 nan 8.280 nan 0.000 0.529 193 L N 3.510 124.714 121.223 -0.031 0.000 2.499 193 L HA 0.091 4.431 4.340 -0.000 0.000 0.273 193 L C -1.996 174.715 176.870 -0.265 0.000 1.195 193 L CA -1.593 53.068 54.840 -0.300 0.000 0.882 193 L CB 0.024 42.004 42.059 -0.132 0.000 1.133 193 L HN -0.124 nan 8.230 nan 0.000 0.483 194 P HA 0.034 nan 4.420 nan 0.000 0.267 194 P C -2.020 175.183 177.300 -0.161 0.000 1.200 194 P CA -0.968 61.999 63.100 -0.222 0.000 0.772 194 P CB 0.107 31.676 31.700 -0.218 0.000 0.855 195 P HA -0.199 nan 4.420 nan 0.000 0.217 195 P C 1.111 178.352 177.300 -0.098 0.000 1.148 195 P CA 1.507 64.547 63.100 -0.100 0.000 0.828 195 P CB 0.040 31.696 31.700 -0.073 0.000 0.783 196 E N -0.916 119.235 120.200 -0.082 0.000 2.110 196 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 196 E C 1.925 178.481 176.600 -0.072 0.000 0.988 196 E CA 0.952 57.314 56.400 -0.064 0.000 0.804 196 E CB -0.987 28.691 29.700 -0.037 0.000 0.745 196 E HN 0.063 nan 8.360 nan 0.000 0.458 197 V N 1.362 121.219 119.914 -0.095 0.000 2.453 197 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 197 V C 1.539 177.581 176.094 -0.086 0.000 1.048 197 V CA 1.638 63.889 62.300 -0.081 0.000 1.049 197 V CB -0.459 31.285 31.823 -0.131 0.000 0.672 197 V HN 0.218 nan 8.190 nan 0.000 0.457 198 D N 0.339 120.669 120.400 -0.118 0.000 2.116 198 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 198 D C 2.051 178.266 176.300 -0.141 0.000 0.998 198 D CA 1.427 55.341 54.000 -0.143 0.000 0.836 198 D CB -0.174 40.513 40.800 -0.190 0.000 0.951 198 D HN 0.341 nan 8.370 nan 0.000 0.449 199 L N 1.074 122.222 121.223 -0.125 0.000 2.017 199 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 199 L C 2.259 179.050 176.870 -0.132 0.000 1.073 199 L CA 1.290 56.060 54.840 -0.117 0.000 0.745 199 L CB -0.656 41.348 42.059 -0.092 0.000 0.894 199 L HN -0.019 nan 8.230 nan 0.000 0.432 200 I N -0.311 120.173 120.570 -0.142 0.000 2.127 200 I HA -0.338 3.831 4.170 -0.000 0.000 0.241 200 I C 2.635 178.556 176.117 -0.328 0.000 1.075 200 I CA 1.439 62.588 61.300 -0.252 0.000 1.334 200 I CB -0.811 37.093 38.000 -0.161 0.000 1.040 200 I HN 0.354 nan 8.210 nan 0.000 0.405 201 A N 0.263 123.023 122.820 -0.100 0.000 1.917 201 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 201 A C 2.389 180.040 177.584 0.112 0.000 1.182 201 A CA 2.705 54.790 52.037 0.080 0.000 0.633 201 A CB -1.234 17.818 19.000 0.088 0.000 0.819 201 A HN 0.443 nan 8.150 nan 0.000 0.448 202 T N 0.049 114.593 114.554 -0.016 0.000 2.821 202 T HA 0.055 4.405 4.350 -0.000 0.000 0.267 202 T C 2.207 176.941 174.700 0.057 0.000 1.046 202 T CA 1.381 63.471 62.100 -0.016 0.000 1.139 202 T CB -0.406 68.375 68.868 -0.145 0.000 0.871 202 T HN 0.614 nan 8.240 nan 0.000 0.454 203 A N 1.280 124.080 122.820 -0.033 0.000 1.902 203 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 203 A C 1.908 179.565 177.584 0.121 0.000 1.181 203 A CA 1.650 53.684 52.037 -0.005 0.000 0.623 203 A CB -0.899 18.047 19.000 -0.090 0.000 0.818 203 A HN 0.713 nan 8.150 nan 0.000 0.443 204 H N -3.599 115.534 119.070 0.106 0.000 2.428 204 H HA -0.092 4.464 4.556 -0.000 0.000 0.296 204 H C 1.956 177.181 175.328 -0.172 0.000 1.062 204 H CA 1.167 57.239 56.048 0.040 0.000 1.350 204 H CB -0.137 29.663 29.762 0.063 0.000 1.403 204 H HN 0.661 nan 8.280 nan 0.000 0.533 205 Y N 1.770 122.059 120.300 -0.018 0.000 2.114 205 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 205 Y C 2.045 178.004 175.900 0.098 0.000 1.165 205 Y CA 1.453 59.561 58.100 0.014 0.000 1.148 205 Y CB -0.409 38.142 38.460 0.153 0.000 0.972 205 Y HN 0.061 nan 8.280 nan 0.000 0.504 206 L N -0.153 121.252 121.223 0.302 0.000 2.027 206 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 206 L C 2.442 179.332 176.870 0.033 0.000 1.074 206 L CA 1.648 56.598 54.840 0.183 0.000 0.745 206 L CB -0.634 41.507 42.059 0.137 0.000 0.898 206 L HN 0.210 nan 8.230 nan 0.000 0.433 207 E N 0.323 120.513 120.200 -0.016 0.000 2.070 207 E HA -0.281 4.068 4.350 -0.000 0.000 0.197 207 E C 2.271 178.668 176.600 -0.339 0.000 1.004 207 E CA 1.362 57.670 56.400 -0.155 0.000 0.805 207 E CB -0.239 29.478 29.700 0.028 0.000 0.744 207 E HN 0.519 nan 8.360 nan 0.000 0.451 208 A N 1.073 123.683 122.820 -0.350 0.000 2.019 208 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 208 A C 2.172 179.693 177.584 -0.105 0.000 1.164 208 A CA 0.874 52.649 52.037 -0.436 0.000 0.644 208 A CB -0.558 18.205 19.000 -0.394 0.000 0.805 208 A HN 0.139 nan 8.150 nan 0.000 0.449 209 L N -1.321 119.894 121.223 -0.012 0.000 2.042 209 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 209 L C 2.584 179.419 176.870 -0.058 0.000 1.076 209 L CA 1.639 56.408 54.840 -0.118 0.000 0.749 209 L CB -0.715 41.270 42.059 -0.124 0.000 0.893 209 L HN 0.554 nan 8.230 nan 0.000 0.432 210 H N -1.756 117.204 119.070 -0.183 0.000 2.403 210 H HA -0.133 4.422 4.556 -0.000 0.000 0.298 210 H C 2.208 177.419 175.328 -0.195 0.000 1.059 210 H CA 1.216 57.166 56.048 -0.163 0.000 1.363 210 H CB 0.200 29.874 29.762 -0.147 0.000 1.410 210 H HN 0.230 nan 8.280 nan 0.000 0.528 211 M N 1.738 121.220 119.600 -0.195 0.000 2.175 211 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 211 M C 2.357 178.583 176.300 -0.122 0.000 1.063 211 M CA 1.538 56.669 55.300 -0.283 0.000 1.119 211 M CB -0.091 32.074 32.600 -0.726 0.000 1.377 211 M HN 0.215 nan 8.290 nan 0.000 0.415 212 Q N -1.150 118.598 119.800 -0.086 0.000 2.226 212 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 212 Q C 1.580 177.670 176.000 0.150 0.000 0.975 212 Q CA 2.033 57.854 55.803 0.030 0.000 0.866 212 Q CB -1.486 27.197 28.738 -0.092 0.000 0.915 212 Q HN 0.383 nan 8.270 nan 0.000 0.440 213 V N 1.087 121.016 119.914 0.026 0.000 2.261 213 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 213 V C 2.291 178.389 176.094 0.006 0.000 1.047 213 V CA 2.281 64.581 62.300 -0.000 0.000 1.015 213 V CB -0.610 31.171 31.823 -0.069 0.000 0.642 213 V HN 0.402 nan 8.190 nan 0.000 0.446 214 K N 0.043 120.439 120.400 -0.006 0.000 2.032 214 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 214 K C 2.317 178.928 176.600 0.017 0.000 1.048 214 K CA 1.568 57.851 56.287 -0.006 0.000 0.927 214 K CB -0.477 32.008 32.500 -0.026 0.000 0.712 214 K HN 0.480 nan 8.250 nan 0.000 0.441 215 A N 1.368 124.225 122.820 0.061 0.000 1.908 215 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 215 A C 2.338 179.973 177.584 0.085 0.000 1.181 215 A CA 2.009 54.111 52.037 0.108 0.000 0.627 215 A CB -0.692 18.433 19.000 0.210 0.000 0.818 215 A HN 0.373 nan 8.150 nan 0.000 0.445 216 A N -0.842 122.012 122.820 0.056 0.000 1.930 216 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 216 A C 2.433 179.987 177.584 -0.049 0.000 1.175 216 A CA 1.932 53.911 52.037 -0.096 0.000 0.627 216 A CB -0.770 18.126 19.000 -0.173 0.000 0.815 216 A HN 0.443 nan 8.150 nan 0.000 0.443 217 S N -0.083 115.607 115.700 -0.017 0.000 2.368 217 S HA -0.048 4.421 4.470 -0.000 0.000 0.225 217 S C 2.345 176.962 174.600 0.028 0.000 1.030 217 S CA 1.168 59.363 58.200 -0.007 0.000 0.999 217 S CB -0.498 62.699 63.200 -0.006 0.000 0.844 217 S HN 0.798 nan 8.310 nan 0.000 0.459 218 A N 1.696 124.546 122.820 0.050 0.000 1.873 218 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 218 A C 2.156 179.896 177.584 0.260 0.000 1.193 218 A CA 2.034 54.161 52.037 0.150 0.000 0.629 218 A CB -0.766 18.216 19.000 -0.030 0.000 0.826 218 A HN 0.530 nan 8.150 nan 0.000 0.447 219 M N -0.439 119.232 119.600 0.118 0.000 2.108 219 M HA -0.165 4.314 4.480 -0.000 0.000 0.261 219 M C 2.189 178.410 176.300 -0.133 0.000 1.066 219 M CA 1.870 57.173 55.300 0.006 0.000 1.107 219 M CB -0.221 32.352 32.600 -0.046 0.000 1.356 219 M HN 0.424 nan 8.290 nan 0.000 0.406 220 A N 0.283 123.047 122.820 -0.093 0.000 2.015 220 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 220 A C 1.926 179.431 177.584 -0.133 0.000 1.163 220 A CA 1.260 53.229 52.037 -0.113 0.000 0.646 220 A CB -0.993 17.966 19.000 -0.067 0.000 0.806 220 A HN 0.635 nan 8.150 nan 0.000 0.448 221 I N -0.571 119.941 120.570 -0.097 0.000 2.194 221 I HA -0.295 3.874 4.170 -0.000 0.000 0.246 221 I C 2.197 178.162 176.117 -0.254 0.000 1.093 221 I CA 1.378 62.608 61.300 -0.117 0.000 1.355 221 I CB -0.210 37.775 38.000 -0.026 0.000 1.046 221 I HN 0.318 nan 8.210 nan 0.000 0.413 222 L N -0.714 120.259 121.223 -0.416 0.000 2.316 222 L HA 0.147 4.486 4.340 -0.000 0.000 0.207 222 L C 2.390 178.737 176.870 -0.872 0.000 1.070 222 L CA 0.812 55.280 54.840 -0.619 0.000 0.820 222 L CB -0.629 40.967 42.059 -0.772 0.000 0.992 222 L HN 0.205 nan 8.230 nan 0.000 0.466 223 G N -1.145 107.194 108.800 -0.768 0.000 2.985 223 G HA2 0.273 4.232 3.960 -0.000 0.000 0.209 223 G HA3 0.273 4.232 3.960 -0.000 0.000 0.209 223 G C 1.342 176.147 174.900 -0.157 0.000 1.165 223 G CA 0.646 45.320 45.100 -0.710 0.000 0.776 223 G HN 0.481 nan 8.290 nan 0.000 0.541 224 G N 0.157 108.874 108.800 -0.140 0.000 2.417 224 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.233 224 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.233 224 G C 0.381 175.273 174.900 -0.014 0.000 1.103 224 G CA 1.038 46.123 45.100 -0.024 0.000 0.647 224 G HN 1.330 nan 8.290 nan 0.000 0.512 225 K N -0.912 119.481 120.400 -0.012 0.000 2.685 225 K HA 0.552 4.872 4.320 -0.000 0.000 0.290 225 K C -1.995 174.597 176.600 -0.014 0.000 1.018 225 K CA -0.767 55.515 56.287 -0.009 0.000 0.860 225 K CB 1.147 33.657 32.500 0.016 0.000 1.498 225 K HN 0.421 nan 8.250 nan 0.000 0.390 226 N N 1.554 120.230 118.700 -0.039 0.000 2.425 226 N HA 0.409 5.149 4.740 -0.000 0.000 0.289 226 N C -2.865 172.590 175.510 -0.092 0.000 1.074 226 N CA -0.948 52.059 53.050 -0.071 0.000 0.905 226 N CB 2.022 40.434 38.487 -0.125 0.000 1.586 226 N HN 0.589 nan 8.380 nan 0.000 0.490 227 P HA 0.408 nan 4.420 nan 0.000 0.274 227 P C -1.162 176.103 177.300 -0.058 0.000 1.237 227 P CA 0.394 63.394 63.100 -0.167 0.000 0.793 227 P CB 0.271 31.777 31.700 -0.324 0.000 0.977 228 H N -1.892 117.221 119.070 0.073 0.000 3.190 228 H HA -0.088 4.468 4.556 -0.000 0.000 0.360 228 H C 0.015 175.419 175.328 0.128 0.000 1.196 228 H CA 0.271 56.382 56.048 0.105 0.000 1.178 228 H CB -2.219 27.587 29.762 0.074 0.000 1.579 228 H HN 0.615 nan 8.280 nan 0.000 0.416 229 T N -1.152 113.590 114.554 0.313 0.000 2.795 229 T HA 0.309 4.658 4.350 -0.000 0.000 0.314 229 T C 0.753 175.650 174.700 0.327 0.000 1.069 229 T CA -0.288 61.997 62.100 0.309 0.000 1.071 229 T CB 2.014 71.139 68.868 0.428 0.000 0.988 229 T HN 0.587 nan 8.240 nan 0.000 0.543 230 Q N 0.968 120.975 119.800 0.345 0.000 3.712 230 Q HA 0.355 4.695 4.340 -0.000 0.000 0.242 230 Q C -0.912 175.270 176.000 0.303 0.000 0.837 230 Q CA -0.500 55.462 55.803 0.265 0.000 0.826 230 Q CB 0.161 28.997 28.738 0.163 0.000 1.529 230 Q HN 0.852 nan 8.270 nan 0.000 0.405 231 F N -2.489 117.497 119.950 0.060 0.000 2.964 231 F HA 0.340 4.867 4.527 -0.001 0.000 0.371 231 F C 0.228 176.036 175.800 0.013 0.000 1.026 231 F CA -0.153 57.854 58.000 0.012 0.000 1.106 231 F CB 0.021 38.998 39.000 -0.039 0.000 1.135 231 F HN -0.028 nan 8.300 nan 0.000 0.557 232 T N 1.935 116.067 114.554 -0.704 0.000 2.889 232 T HA 0.671 5.021 4.350 -0.000 0.000 0.291 232 T C -0.171 174.381 174.700 -0.248 0.000 0.995 232 T CA 0.008 61.745 62.100 -0.605 0.000 1.092 232 T CB 1.823 70.324 68.868 -0.610 0.000 0.954 232 T HN 0.667 nan 8.240 nan 0.000 0.506 233 V N -0.299 119.499 119.914 -0.193 0.000 3.130 233 V HA 0.731 4.851 4.120 -0.000 0.000 0.310 233 V C -0.074 175.921 176.094 -0.165 0.000 1.158 233 V CA -1.428 60.815 62.300 -0.095 0.000 1.029 233 V CB 1.513 33.341 31.823 0.009 0.000 1.057 233 V HN 0.788 nan 8.190 nan 0.000 0.436 234 V N 2.496 122.286 119.914 -0.206 0.000 2.540 234 V HA 0.471 4.590 4.120 -0.000 0.000 0.297 234 V C 1.691 177.525 176.094 -0.433 0.000 1.024 234 V CA 1.725 63.726 62.300 -0.499 0.000 1.105 234 V CB -0.166 31.015 31.823 -1.071 0.000 0.938 234 V HN 1.995 nan 8.190 nan 0.000 0.482 235 G N 2.867 111.434 108.800 -0.389 0.000 2.175 235 G HA2 0.096 4.055 3.960 -0.000 0.000 0.244 235 G HA3 0.096 4.055 3.960 -0.000 0.000 0.244 235 G C 0.678 175.536 174.900 -0.070 0.000 0.982 235 G CA 0.127 45.133 45.100 -0.158 0.000 0.641 235 G HN 1.943 nan 8.290 nan 0.000 0.527 236 G N -1.943 106.789 108.800 -0.112 0.000 2.374 236 G HA2 0.416 4.375 3.960 -0.000 0.000 0.067 236 G HA3 0.416 4.375 3.960 -0.000 0.000 0.067 236 G C -0.484 174.333 174.900 -0.139 0.000 1.023 236 G CA 0.549 45.590 45.100 -0.098 0.000 1.131 236 G HN 1.375 nan 8.290 nan 0.000 0.436 237 C N -0.080 119.147 119.300 -0.123 0.000 3.080 237 C HA 0.759 5.218 4.460 -0.000 0.000 0.307 237 C C 1.554 176.445 174.990 -0.166 0.000 1.311 237 C CA 0.319 59.256 59.018 -0.135 0.000 1.533 237 C CB 1.517 29.251 27.740 -0.011 0.000 1.970 237 C HN 1.214 nan 8.230 nan 0.000 0.467 238 S N -0.243 115.394 115.700 -0.104 0.000 2.511 238 S HA 0.020 4.490 4.470 -0.000 0.000 0.214 238 S C 0.328 174.822 174.600 -0.178 0.000 0.997 238 S CA 0.365 58.494 58.200 -0.117 0.000 0.908 238 S CB -0.379 62.837 63.200 0.026 0.000 0.803 238 S HN 0.724 nan 8.310 nan 0.000 0.504 239 N N 1.284 119.914 118.700 -0.117 0.000 3.124 239 N HA 0.247 4.987 4.740 -0.000 0.000 0.284 239 N C -0.090 175.353 175.510 -0.111 0.000 1.209 239 N CA -0.618 52.403 53.050 -0.049 0.000 1.149 239 N CB -0.646 37.852 38.487 0.018 0.000 1.434 239 N HN 0.298 nan 8.380 nan 0.000 0.529 240 Y N 0.310 120.634 120.300 0.039 0.000 2.256 240 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 240 Y C 2.343 178.246 175.900 0.005 0.000 1.155 240 Y CA 1.235 59.349 58.100 0.023 0.000 1.203 240 Y CB -0.130 38.344 38.460 0.024 0.000 0.980 240 Y HN 0.524 nan 8.280 nan 0.000 0.530 241 Q N 0.014 119.894 119.800 0.134 0.000 2.170 241 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 241 Q C 2.298 178.302 176.000 0.008 0.000 0.976 241 Q CA 1.264 57.104 55.803 0.063 0.000 0.858 241 Q CB -0.476 28.286 28.738 0.040 0.000 0.907 241 Q HN 0.529 nan 8.270 nan 0.000 0.433 242 G N 0.238 109.017 108.800 -0.034 0.000 2.708 242 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.210 242 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.210 242 G C 1.028 175.879 174.900 -0.082 0.000 1.141 242 G CA 0.184 45.220 45.100 -0.107 0.000 0.788 242 G HN 0.316 nan 8.290 nan 0.000 0.531 243 L N 0.934 122.148 121.223 -0.016 0.000 2.640 243 L HA 0.185 4.525 4.340 -0.000 0.000 0.230 243 L C 1.549 178.431 176.870 0.020 0.000 1.123 243 L CA 0.140 54.984 54.840 0.007 0.000 0.900 243 L CB -0.011 42.079 42.059 0.051 0.000 1.146 243 L HN 0.201 nan 8.230 nan 0.000 0.484 244 T N -4.196 110.368 114.554 0.017 0.000 2.881 244 T HA 0.168 4.518 4.350 -0.000 0.000 0.278 244 T C 0.970 175.681 174.700 0.018 0.000 0.982 244 T CA -0.636 61.478 62.100 0.023 0.000 0.989 244 T CB 2.176 71.061 68.868 0.027 0.000 1.058 244 T HN -0.061 nan 8.240 nan 0.000 0.529 245 K N 0.057 120.469 120.400 0.021 0.000 1.984 245 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 245 K C 1.645 178.260 176.600 0.024 0.000 1.046 245 K CA 1.811 58.111 56.287 0.022 0.000 0.934 245 K CB -0.365 32.147 32.500 0.020 0.000 0.717 245 K HN 0.617 nan 8.250 nan 0.000 0.438 246 D N 0.010 120.421 120.400 0.019 0.000 2.097 246 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 246 D C -0.874 175.441 176.300 0.025 0.000 0.989 246 D CA 1.190 55.202 54.000 0.020 0.000 0.827 246 D CB -1.486 39.323 40.800 0.015 0.000 0.966 246 D HN 0.263 nan 8.370 nan 0.000 0.456 247 P HA -0.063 nan 4.420 nan 0.000 0.215 247 P C 1.750 179.076 177.300 0.043 0.000 1.153 247 P CA 0.763 63.873 63.100 0.016 0.000 0.853 247 P CB -0.011 31.681 31.700 -0.013 0.000 0.788 248 L N -1.409 119.837 121.223 0.039 0.000 2.217 248 L HA -0.085 4.254 4.340 -0.000 0.000 0.211 248 L C 2.416 179.360 176.870 0.123 0.000 1.107 248 L CA 1.136 56.028 54.840 0.087 0.000 0.783 248 L CB -0.933 41.158 42.059 0.054 0.000 0.919 248 L HN -0.048 nan 8.230 nan 0.000 0.442 249 A N 0.300 123.164 122.820 0.073 0.000 1.873 249 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 249 A C 2.078 179.694 177.584 0.053 0.000 1.186 249 A CA 1.996 54.065 52.037 0.054 0.000 0.616 249 A CB -0.612 18.408 19.000 0.033 0.000 0.823 249 A HN 0.422 nan 8.150 nan 0.000 0.442 250 N N -1.257 117.479 118.700 0.060 0.000 2.084 250 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 250 N C 1.592 177.149 175.510 0.078 0.000 1.030 250 N CA 1.899 54.981 53.050 0.053 0.000 0.849 250 N CB -0.563 37.952 38.487 0.046 0.000 1.012 250 N HN 0.513 nan 8.380 nan 0.000 0.423 251 Y N 0.718 121.004 120.300 -0.022 0.000 2.114 251 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 251 Y C 2.183 178.074 175.900 -0.014 0.000 1.165 251 Y CA 1.652 59.737 58.100 -0.025 0.000 1.148 251 Y CB -0.773 37.666 38.460 -0.035 0.000 0.972 251 Y HN 0.186 nan 8.280 nan 0.000 0.504 252 L N 0.555 121.770 121.223 -0.013 0.000 2.083 252 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 252 L C 2.361 179.168 176.870 -0.104 0.000 1.083 252 L CA 2.111 56.889 54.840 -0.103 0.000 0.752 252 L CB -1.201 40.857 42.059 -0.001 0.000 0.899 252 L HN 0.251 nan 8.230 nan 0.000 0.433 253 A N -0.598 122.190 122.820 -0.053 0.000 1.930 253 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 253 A C 2.228 179.775 177.584 -0.060 0.000 1.175 253 A CA 1.789 53.800 52.037 -0.044 0.000 0.627 253 A CB -0.778 18.211 19.000 -0.018 0.000 0.815 253 A HN 0.495 nan 8.150 nan 0.000 0.443 254 L N -0.460 120.718 121.223 -0.076 0.000 2.056 254 L HA -0.126 4.213 4.340 -0.000 0.000 0.207 254 L C 2.810 179.611 176.870 -0.114 0.000 1.078 254 L CA 1.391 56.185 54.840 -0.077 0.000 0.749 254 L CB -0.359 41.666 42.059 -0.057 0.000 0.901 254 L HN 0.304 nan 8.230 nan 0.000 0.433 255 S N -0.263 115.308 115.700 -0.214 0.000 2.382 255 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 255 S C 1.919 176.446 174.600 -0.121 0.000 1.027 255 S CA 1.206 59.271 58.200 -0.225 0.000 0.991 255 S CB -0.132 62.817 63.200 -0.418 0.000 0.823 255 S HN 0.345 nan 8.310 nan 0.000 0.469 256 K N 1.059 121.396 120.400 -0.104 0.000 2.148 256 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 256 K C 2.154 178.736 176.600 -0.030 0.000 1.050 256 K CA 0.995 57.243 56.287 -0.065 0.000 0.942 256 K CB -0.060 32.404 32.500 -0.059 0.000 0.724 256 K HN 0.420 nan 8.250 nan 0.000 0.446 257 E N 0.342 120.526 120.200 -0.026 0.000 2.051 257 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 257 E C 2.019 178.642 176.600 0.038 0.000 0.991 257 E CA 1.305 57.706 56.400 0.001 0.000 0.799 257 E CB -0.008 29.684 29.700 -0.013 0.000 0.748 257 E HN 0.032 nan 8.360 nan 0.000 0.449 258 V N 0.853 120.782 119.914 0.024 0.000 2.343 258 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 258 V C 2.394 178.565 176.094 0.128 0.000 1.051 258 V CA 1.481 63.827 62.300 0.076 0.000 1.036 258 V CB -0.412 31.438 31.823 0.045 0.000 0.654 258 V HN 0.456 nan 8.190 nan 0.000 0.451 259 c N -0.802 117.833 118.600 0.057 0.000 2.450 259 c HA -0.125 4.444 4.570 -0.000 0.000 0.279 259 c C 2.800 176.911 174.090 0.035 0.000 1.335 259 c CA 1.097 57.450 56.329 0.040 0.000 1.749 259 c CB -0.844 41.654 42.510 -0.020 0.000 1.963 259 c HN 0.652 nan 8.230 nan 0.000 0.501 260 Q N -0.159 119.666 119.800 0.041 0.000 2.050 260 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 260 Q C 2.044 178.080 176.000 0.060 0.000 0.980 260 Q CA 1.776 57.598 55.803 0.032 0.000 0.840 260 Q CB -0.333 28.424 28.738 0.033 0.000 0.898 260 Q HN 0.650 nan 8.270 nan 0.000 0.424 261 F N 0.333 120.267 119.950 -0.026 0.000 2.134 261 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 261 F C 1.947 177.762 175.800 0.024 0.000 1.097 261 F CA 1.253 59.237 58.000 -0.028 0.000 1.264 261 F CB -0.330 38.654 39.000 -0.028 0.000 1.001 261 F HN -0.087 nan 8.300 nan 0.000 0.479 262 V N 0.962 120.946 119.914 0.117 0.000 2.252 262 V HA -0.392 3.728 4.120 -0.000 0.000 0.249 262 V C 2.230 178.283 176.094 -0.068 0.000 1.056 262 V CA 2.396 64.757 62.300 0.102 0.000 1.022 262 V CB -0.805 31.102 31.823 0.140 0.000 0.641 262 V HN 0.408 nan 8.190 nan 0.000 0.445 263 N N -0.442 118.206 118.700 -0.088 0.000 2.216 263 N HA -0.105 4.634 4.740 -0.000 0.000 0.183 263 N C 1.842 177.260 175.510 -0.153 0.000 1.017 263 N CA 1.166 54.140 53.050 -0.126 0.000 0.861 263 N CB -0.101 38.328 38.487 -0.096 0.000 0.986 263 N HN 0.613 nan 8.380 nan 0.000 0.428 264 E N -0.480 119.615 120.200 -0.176 0.000 2.170 264 E HA 0.035 4.384 4.350 -0.000 0.000 0.191 264 E C 1.263 177.678 176.600 -0.308 0.000 0.981 264 E CA 0.565 56.849 56.400 -0.193 0.000 0.830 264 E CB 0.355 29.966 29.700 -0.148 0.000 0.775 264 E HN 0.343 nan 8.360 nan 0.000 0.470 265 C N -0.940 118.055 119.300 -0.508 0.000 2.508 265 C HA 0.096 4.556 4.460 -0.000 0.000 0.407 265 C C 2.195 177.035 174.990 -0.250 0.000 1.494 265 C CA -0.518 58.093 59.018 -0.678 0.000 2.531 265 C CB -0.930 25.909 27.740 -1.501 0.000 2.480 265 C HN 0.413 nan 8.230 nan 0.000 0.614 266 Y N 3.052 123.105 120.300 -0.413 0.000 2.030 266 Y HA -0.167 4.383 4.550 -0.000 0.000 0.274 266 Y C 2.220 177.880 175.900 -0.400 0.000 1.153 266 Y CA 1.623 59.558 58.100 -0.275 0.000 1.115 266 Y CB -0.933 37.418 38.460 -0.182 0.000 0.969 266 Y HN 0.155 nan 8.280 nan 0.000 0.488 267 I N 0.770 121.110 120.570 -0.383 0.000 2.142 267 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 267 I C -0.348 175.591 176.117 -0.296 0.000 1.078 267 I CA 1.430 62.440 61.300 -0.483 0.000 1.343 267 I CB -2.804 34.958 38.000 -0.396 0.000 1.046 267 I HN 0.175 nan 8.210 nan 0.000 0.405 268 P HA -0.118 nan 4.420 nan 0.000 0.216 268 P C 1.130 178.408 177.300 -0.038 0.000 1.150 268 P CA 1.429 64.471 63.100 -0.098 0.000 0.837 268 P CB 0.017 31.681 31.700 -0.059 0.000 0.786 269 D N -0.885 119.523 120.400 0.013 0.000 2.117 269 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 269 D C 1.872 178.180 176.300 0.012 0.000 0.987 269 D CA 0.860 54.933 54.000 0.122 0.000 0.829 269 D CB -0.993 40.013 40.800 0.343 0.000 0.961 269 D HN 0.025 nan 8.370 nan 0.000 0.460 270 L N 0.660 121.726 121.223 -0.261 0.000 2.012 270 L HA -0.135 4.204 4.340 -0.000 0.000 0.210 270 L C 2.139 178.881 176.870 -0.214 0.000 1.073 270 L CA 1.491 56.104 54.840 -0.377 0.000 0.748 270 L CB -0.567 41.101 42.059 -0.652 0.000 0.891 270 L HN 0.034 nan 8.230 nan 0.000 0.431 271 L N -1.045 120.066 121.223 -0.187 0.000 2.056 271 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 271 L C 2.679 179.518 176.870 -0.053 0.000 1.078 271 L CA 1.046 55.807 54.840 -0.132 0.000 0.749 271 L CB -1.054 40.924 42.059 -0.134 0.000 0.901 271 L HN 0.361 nan 8.230 nan 0.000 0.433 272 A N 0.087 122.912 122.820 0.008 0.000 1.865 272 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 272 A C 2.361 180.088 177.584 0.238 0.000 1.191 272 A CA 2.096 54.207 52.037 0.123 0.000 0.623 272 A CB -0.955 18.141 19.000 0.159 0.000 0.826 272 A HN 0.176 nan 8.150 nan 0.000 0.444 273 V N -0.139 119.873 119.914 0.164 0.000 2.261 273 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 273 V C 3.090 179.273 176.094 0.149 0.000 1.047 273 V CA 2.048 64.457 62.300 0.182 0.000 1.015 273 V CB -1.357 30.450 31.823 -0.027 0.000 0.642 273 V HN 0.646 nan 8.190 nan 0.000 0.446 274 A N 0.548 123.345 122.820 -0.038 0.000 1.917 274 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 274 A C 2.414 180.017 177.584 0.032 0.000 1.182 274 A CA 2.180 54.183 52.037 -0.057 0.000 0.633 274 A CB -1.312 17.615 19.000 -0.122 0.000 0.819 274 A HN 0.567 nan 8.150 nan 0.000 0.448 275 G N -1.781 107.012 108.800 -0.011 0.000 2.422 275 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 275 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 275 G C 1.281 176.083 174.900 -0.164 0.000 1.146 275 G CA 1.073 46.098 45.100 -0.125 0.000 0.769 275 G HN 0.463 nan 8.290 nan 0.000 0.547 276 F N -1.164 118.808 119.950 0.037 0.000 2.512 276 F HA 0.268 4.795 4.527 -0.000 0.000 0.296 276 F C 1.017 176.811 175.800 -0.011 0.000 1.110 276 F CA 0.215 58.200 58.000 -0.026 0.000 1.446 276 F CB 0.174 39.119 39.000 -0.093 0.000 1.092 276 F HN 0.070 nan 8.300 nan 0.000 0.554 277 Y N -0.111 120.408 120.300 0.364 0.000 2.801 277 Y HA 0.219 4.769 4.550 -0.000 0.000 0.318 277 Y C 1.375 177.498 175.900 0.372 0.000 1.073 277 Y CA -0.726 57.641 58.100 0.445 0.000 1.360 277 Y CB -0.496 38.120 38.460 0.260 0.000 1.220 277 Y HN -0.101 nan 8.280 nan 0.000 0.536 278 K N 0.402 121.001 120.400 0.331 0.000 2.160 278 K HA -0.206 4.113 4.320 -0.000 0.000 0.206 278 K C 1.483 178.233 176.600 0.250 0.000 1.047 278 K CA 1.764 58.179 56.287 0.213 0.000 0.930 278 K CB -0.025 32.533 32.500 0.096 0.000 0.720 278 K HN 0.537 nan 8.250 nan 0.000 0.450 279 D N -0.246 120.346 120.400 0.320 0.000 2.263 279 D HA -0.197 4.443 4.640 -0.000 0.000 0.208 279 D C 1.162 177.573 176.300 0.186 0.000 0.971 279 D CA 0.800 54.937 54.000 0.228 0.000 0.867 279 D CB -0.622 40.315 40.800 0.228 0.000 0.929 279 D HN 0.280 nan 8.370 nan 0.000 0.492 280 W N 1.549 123.014 121.300 0.276 0.000 2.961 280 W HA 0.313 4.973 4.660 -0.000 0.000 0.240 280 W C 2.320 178.944 176.519 0.175 0.000 1.305 280 W CA 0.630 58.130 57.345 0.257 0.000 1.465 280 W CB -0.076 29.607 29.460 0.372 0.000 1.135 280 W HN 0.111 nan 8.180 nan 0.000 0.688 281 G N -0.519 108.439 108.800 0.264 0.000 2.572 281 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 281 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 281 G C 1.493 176.467 174.900 0.123 0.000 1.133 281 G CA 0.754 45.955 45.100 0.168 0.000 0.791 281 G HN 0.322 nan 8.290 nan 0.000 0.538 282 G N -0.093 108.753 108.800 0.077 0.000 3.575 282 G HA2 0.478 4.438 3.960 -0.000 0.000 0.273 282 G HA3 0.478 4.438 3.960 -0.000 0.000 0.273 282 G C -0.060 174.830 174.900 -0.017 0.000 1.053 282 G CA -0.319 44.800 45.100 0.033 0.000 0.803 282 G HN 0.308 nan 8.290 nan 0.000 0.528 283 I N -0.386 120.170 120.570 -0.025 0.000 2.545 283 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 283 I C 0.909 177.068 176.117 0.071 0.000 1.040 283 I CA -0.566 60.672 61.300 -0.103 0.000 1.068 283 I CB 2.245 39.942 38.000 -0.506 0.000 1.251 283 I HN 0.133 nan 8.210 nan 0.000 0.424 284 G N 3.762 112.614 108.800 0.088 0.000 2.149 284 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.235 284 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.235 284 G C 0.312 175.328 174.900 0.195 0.000 1.018 284 G CA -0.097 45.114 45.100 0.184 0.000 0.728 284 G HN 1.055 nan 8.290 nan 0.000 0.508 285 G N -0.455 108.443 108.800 0.163 0.000 2.444 285 G HA2 0.780 4.739 3.960 -0.000 0.000 0.268 285 G HA3 0.780 4.739 3.960 -0.000 0.000 0.268 285 G C 0.378 175.370 174.900 0.153 0.000 1.203 285 G CA 0.879 46.094 45.100 0.192 0.000 0.835 285 G HN 1.399 nan 8.290 nan 0.000 0.543 286 T N -2.075 112.574 114.554 0.158 0.000 2.773 286 T HA 0.620 4.969 4.350 -0.000 0.000 0.278 286 T C 0.885 175.520 174.700 -0.109 0.000 1.011 286 T CA -0.153 61.965 62.100 0.029 0.000 1.014 286 T CB 1.803 70.696 68.868 0.041 0.000 1.293 286 T HN 0.238 nan 8.240 nan 0.000 0.554 287 S N 0.169 115.730 115.700 -0.232 0.000 2.564 287 S HA 0.294 4.764 4.470 -0.000 0.000 0.231 287 S C 0.196 174.552 174.600 -0.407 0.000 1.067 287 S CA -0.324 57.712 58.200 -0.275 0.000 0.908 287 S CB -0.002 63.099 63.200 -0.166 0.000 0.809 287 S HN 0.734 nan 8.310 nan 0.000 0.491 288 N N 1.097 119.499 118.700 -0.497 0.000 2.372 288 N HA 0.484 5.224 4.740 -0.000 0.000 0.291 288 N C -1.647 173.520 175.510 -0.571 0.000 1.024 288 N CA -0.215 52.601 53.050 -0.390 0.000 0.873 288 N CB 1.218 39.605 38.487 -0.167 0.000 1.206 288 N HN 0.175 nan 8.380 nan 0.000 0.486 289 Y N 0.531 120.797 120.300 -0.056 0.000 2.442 289 Y HA 0.543 5.092 4.550 -0.000 0.000 0.344 289 Y C -0.379 175.408 175.900 -0.190 0.000 0.976 289 Y CA -1.092 56.962 58.100 -0.077 0.000 1.040 289 Y CB 1.988 40.453 38.460 0.008 0.000 1.228 289 Y HN 0.352 nan 8.280 nan 0.000 0.451 290 L N 2.748 123.882 121.223 -0.148 0.000 2.386 290 L HA 1.017 5.357 4.340 -0.000 0.000 0.271 290 L C -1.206 175.463 176.870 -0.336 0.000 0.993 290 L CA -0.532 54.092 54.840 -0.361 0.000 0.819 290 L CB 1.740 43.370 42.059 -0.716 0.000 1.294 290 L HN 0.721 nan 8.230 nan 0.000 0.414 291 A N 3.372 126.036 122.820 -0.261 0.000 2.486 291 A HA 0.651 4.970 4.320 -0.000 0.000 0.300 291 A C -0.613 176.943 177.584 -0.047 0.000 1.048 291 A CA -0.432 51.480 52.037 -0.208 0.000 0.696 291 A CB 0.781 19.742 19.000 -0.065 0.000 1.278 291 A HN 0.646 nan 8.150 nan 0.000 0.405 292 F N 1.536 121.480 119.950 -0.010 0.000 2.754 292 F HA 0.403 4.930 4.527 -0.000 0.000 0.297 292 F C 1.683 177.542 175.800 0.098 0.000 1.122 292 F CA 0.299 58.330 58.000 0.051 0.000 1.400 292 F CB -0.573 38.459 39.000 0.054 0.000 1.117 292 F HN 1.184 nan 8.300 nan 0.000 0.587 293 G N 0.864 109.795 108.800 0.219 0.000 2.758 293 G HA2 0.014 3.974 3.960 -0.000 0.000 0.686 293 G HA3 0.014 3.974 3.960 -0.000 0.000 0.686 293 G C -0.933 173.998 174.900 0.051 0.000 1.389 293 G CA -0.568 44.593 45.100 0.102 0.000 0.845 293 G HN 0.259 nan 8.290 nan 0.000 0.572 294 E N -1.150 118.991 120.200 -0.099 0.000 2.433 294 E HA 0.735 5.085 4.350 -0.000 0.000 0.278 294 E C -0.061 176.236 176.600 -0.505 0.000 0.976 294 E CA -0.661 55.481 56.400 -0.430 0.000 0.793 294 E CB 0.588 29.822 29.700 -0.776 0.000 1.311 294 E HN 1.533 nan 8.360 nan 0.000 0.460 295 F N -0.861 118.910 119.950 -0.298 0.000 2.975 295 F HA -0.101 4.426 4.527 -0.001 0.000 0.319 295 F C 0.110 175.749 175.800 -0.268 0.000 0.976 295 F CA 0.499 58.241 58.000 -0.431 0.000 1.072 295 F CB -2.080 36.524 39.000 -0.660 0.000 1.165 295 F HN 0.430 nan 8.300 nan 0.000 0.758 296 A N 0.276 123.011 122.820 -0.143 0.000 2.371 296 A HA 0.573 4.893 4.320 -0.000 0.000 0.257 296 A C 1.392 178.945 177.584 -0.052 0.000 1.089 296 A CA 0.227 52.194 52.037 -0.117 0.000 0.794 296 A CB 0.419 19.317 19.000 -0.170 0.000 1.029 296 A HN 0.760 nan 8.150 nan 0.000 0.488 297 T N -1.668 112.877 114.554 -0.016 0.000 3.081 297 T HA 0.101 4.450 4.350 -0.000 0.000 0.255 297 T C 0.065 174.766 174.700 0.002 0.000 1.113 297 T CA 0.968 63.071 62.100 0.004 0.000 1.082 297 T CB -0.020 68.869 68.868 0.035 0.000 0.939 297 T HN 0.564 nan 8.240 nan 0.000 0.506 298 D N 0.803 121.200 120.400 -0.005 0.000 2.358 298 D HA 0.221 4.861 4.640 -0.000 0.000 0.253 298 D C -1.072 175.233 176.300 0.008 0.000 1.288 298 D CA -0.399 53.603 54.000 0.002 0.000 0.950 298 D CB 1.087 41.892 40.800 0.007 0.000 1.197 298 D HN -0.057 nan 8.370 nan 0.000 0.550 299 D N 1.460 121.865 120.400 0.009 0.000 2.587 299 D HA -0.010 4.629 4.640 -0.000 0.000 0.233 299 D C 1.576 177.870 176.300 -0.011 0.000 1.213 299 D CA 0.130 54.141 54.000 0.019 0.000 0.827 299 D CB 0.546 41.352 40.800 0.011 0.000 1.006 299 D HN 0.370 nan 8.370 nan 0.000 0.490 300 S N -0.648 115.049 115.700 -0.005 0.000 2.481 300 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 300 S C 0.908 175.495 174.600 -0.022 0.000 0.996 300 S CA 0.125 58.318 58.200 -0.013 0.000 0.942 300 S CB 0.047 63.246 63.200 -0.002 0.000 0.768 300 S HN 0.183 nan 8.310 nan 0.000 0.520 301 S N -1.104 114.584 115.700 -0.020 0.000 2.595 301 S HA 0.528 4.997 4.470 -0.000 0.000 0.270 301 S C -3.062 171.518 174.600 -0.033 0.000 1.145 301 S CA -1.083 57.097 58.200 -0.034 0.000 0.825 301 S CB 1.034 64.223 63.200 -0.017 0.000 1.107 301 S HN -0.032 nan 8.310 nan 0.000 0.461 302 P HA -0.012 nan 4.420 nan 0.000 0.217 302 P C 0.871 178.160 177.300 -0.018 0.000 1.150 302 P CA 1.406 64.444 63.100 -0.102 0.000 0.832 302 P CB -0.046 31.545 31.700 -0.182 0.000 0.787 303 E N -0.044 120.152 120.200 -0.006 0.000 2.051 303 E HA -0.169 4.180 4.350 -0.000 0.000 0.192 303 E C 1.932 178.550 176.600 0.030 0.000 0.991 303 E CA 1.152 57.563 56.400 0.019 0.000 0.799 303 E CB -0.755 28.957 29.700 0.020 0.000 0.748 303 E HN 0.133 nan 8.360 nan 0.000 0.449 304 K N -0.005 120.411 120.400 0.027 0.000 2.097 304 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 304 K C 2.200 178.817 176.600 0.029 0.000 1.050 304 K CA 1.493 57.794 56.287 0.024 0.000 0.938 304 K CB -0.531 31.979 32.500 0.017 0.000 0.718 304 K HN 0.331 nan 8.250 nan 0.000 0.442 305 H N 1.027 120.069 119.070 -0.048 0.000 2.319 305 H HA -0.036 4.520 4.556 -0.000 0.000 0.299 305 H C 2.040 177.353 175.328 -0.026 0.000 1.092 305 H CA 1.865 57.880 56.048 -0.055 0.000 1.302 305 H CB -0.197 29.506 29.762 -0.098 0.000 1.373 305 H HN 0.016 nan 8.280 nan 0.000 0.497 306 L N -0.384 120.881 121.223 0.069 0.000 2.079 306 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 306 L C 2.739 179.606 176.870 -0.005 0.000 1.081 306 L CA 1.122 55.989 54.840 0.045 0.000 0.752 306 L CB -0.473 41.632 42.059 0.077 0.000 0.896 306 L HN 0.480 nan 8.230 nan 0.000 0.433 307 A N -0.777 122.040 122.820 -0.005 0.000 1.984 307 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 307 A C 2.209 179.786 177.584 -0.012 0.000 1.173 307 A CA 1.495 53.533 52.037 0.002 0.000 0.673 307 A CB -0.437 18.572 19.000 0.015 0.000 0.830 307 A HN 0.451 nan 8.150 nan 0.000 0.453 308 T N -3.402 111.127 114.554 -0.043 0.000 3.054 308 T HA 0.222 4.572 4.350 -0.000 0.000 0.255 308 T C 0.544 175.215 174.700 -0.049 0.000 1.035 308 T CA 0.356 62.439 62.100 -0.028 0.000 0.941 308 T CB -0.245 68.614 68.868 -0.014 0.000 1.026 308 T HN 0.065 nan 8.240 nan 0.000 0.533 309 S N 2.550 118.170 115.700 -0.133 0.000 2.575 309 S HA 0.053 4.523 4.470 -0.000 0.000 0.295 309 S C 1.262 175.907 174.600 0.074 0.000 1.267 309 S CA -0.251 57.869 58.200 -0.132 0.000 1.074 309 S CB 0.754 63.804 63.200 -0.249 0.000 0.829 309 S HN 0.519 nan 8.310 nan 0.000 0.497 310 Q N 1.414 121.327 119.800 0.188 0.000 2.172 310 Q HA -0.002 4.337 4.340 -0.000 0.000 0.200 310 Q C -0.378 175.985 176.000 0.604 0.000 0.964 310 Q CA 0.846 56.864 55.803 0.359 0.000 0.855 310 Q CB 0.054 29.047 28.738 0.424 0.000 0.918 310 Q HN 0.590 nan 8.270 nan 0.000 0.444 311 F N 2.557 122.677 119.950 0.283 0.000 2.377 311 F HA 0.262 4.789 4.527 -0.000 0.000 0.360 311 F C -1.885 173.949 175.800 0.058 0.000 1.147 311 F CA -3.730 54.410 58.000 0.234 0.000 1.170 311 F CB 0.195 39.406 39.000 0.351 0.000 1.339 311 F HN -0.045 nan 8.300 nan 0.000 0.552 312 P HA 0.073 nan 4.420 nan 0.000 0.270 312 P C -0.081 177.242 177.300 0.039 0.000 1.223 312 P CA -0.105 63.031 63.100 0.061 0.000 0.785 312 P CB 1.005 32.718 31.700 0.021 0.000 0.923 313 S N 0.107 115.829 115.700 0.037 0.000 2.655 313 S HA 0.792 5.262 4.470 -0.000 0.000 0.265 313 S C 0.444 175.063 174.600 0.032 0.000 1.240 313 S CA 0.115 58.350 58.200 0.059 0.000 0.986 313 S CB 0.468 63.731 63.200 0.105 0.000 0.985 313 S HN 0.937 nan 8.310 nan 0.000 0.562 314 G N -1.330 107.485 108.800 0.025 0.000 2.352 314 G HA2 0.411 4.370 3.960 -0.000 0.000 0.302 314 G HA3 0.411 4.370 3.960 -0.000 0.000 0.302 314 G C -1.934 172.941 174.900 -0.042 0.000 1.370 314 G CA -0.395 44.710 45.100 0.008 0.000 0.918 314 G HN 1.302 nan 8.290 nan 0.000 0.610 315 V N 0.700 120.594 119.914 -0.033 0.000 2.525 315 V HA 0.588 4.708 4.120 -0.000 0.000 0.299 315 V C -0.061 176.033 176.094 0.000 0.000 1.034 315 V CA -0.538 61.714 62.300 -0.081 0.000 0.863 315 V CB 1.484 33.215 31.823 -0.153 0.000 0.999 315 V HN 0.688 nan 8.190 nan 0.000 0.423 316 I N 3.676 124.266 120.570 0.034 0.000 2.377 316 I HA 0.555 4.725 4.170 -0.000 0.000 0.293 316 I C 0.056 176.204 176.117 0.052 0.000 0.987 316 I CA -0.033 61.315 61.300 0.080 0.000 1.185 316 I CB 2.134 40.234 38.000 0.166 0.000 1.341 316 I HN 0.555 nan 8.210 nan 0.000 0.455 317 T N 3.522 118.095 114.554 0.031 0.000 2.841 317 T HA 0.462 4.811 4.350 -0.000 0.000 0.283 317 T C 0.587 175.276 174.700 -0.019 0.000 1.000 317 T CA -0.219 61.883 62.100 0.003 0.000 0.977 317 T CB 1.676 70.564 68.868 0.034 0.000 0.979 317 T HN 0.995 nan 8.240 nan 0.000 0.446 318 G N 2.774 111.539 108.800 -0.058 0.000 2.305 318 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.287 318 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.287 318 G C 0.591 175.425 174.900 -0.110 0.000 1.036 318 G CA 0.550 45.602 45.100 -0.079 0.000 0.887 318 G HN 0.901 nan 8.290 nan 0.000 0.505 319 R N -1.694 118.730 120.500 -0.126 0.000 4.000 319 R HA -0.204 4.135 4.340 -0.000 0.000 0.362 319 R C 0.274 176.515 176.300 -0.098 0.000 1.183 319 R CA 1.316 57.294 56.100 -0.204 0.000 1.011 319 R CB -1.419 28.569 30.300 -0.521 0.000 1.501 319 R HN 0.531 nan 8.270 nan 0.000 0.553 320 D N 1.119 121.495 120.400 -0.040 0.000 2.402 320 D HA 0.098 4.738 4.640 -0.000 0.000 0.235 320 D C 1.038 177.345 176.300 0.011 0.000 1.226 320 D CA -0.006 53.987 54.000 -0.011 0.000 0.918 320 D CB 0.492 41.290 40.800 -0.003 0.000 1.043 320 D HN 0.245 nan 8.370 nan 0.000 0.506 321 L N 2.556 123.792 121.223 0.022 0.000 2.552 321 L HA 0.100 4.440 4.340 -0.000 0.000 0.227 321 L C 2.186 179.079 176.870 0.039 0.000 1.146 321 L CA 0.408 55.276 54.840 0.047 0.000 0.858 321 L CB 0.197 42.317 42.059 0.102 0.000 0.969 321 L HN 0.400 nan 8.230 nan 0.000 0.451 322 G N -0.125 108.691 108.800 0.028 0.000 2.985 322 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.209 322 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.209 322 G C 0.754 175.665 174.900 0.018 0.000 1.165 322 G CA -0.045 45.066 45.100 0.019 0.000 0.776 322 G HN 0.195 nan 8.290 nan 0.000 0.541 323 K N 0.748 121.162 120.400 0.023 0.000 2.895 323 K HA 0.411 4.731 4.320 -0.000 0.000 0.191 323 K C -1.102 175.518 176.600 0.033 0.000 1.117 323 K CA -0.409 55.894 56.287 0.027 0.000 0.988 323 K CB 1.192 33.708 32.500 0.027 0.000 1.181 323 K HN -0.104 nan 8.250 nan 0.000 0.598 324 V N 3.410 123.342 119.914 0.030 0.000 2.408 324 V HA 0.162 4.282 4.120 -0.000 0.000 0.267 324 V C 0.045 176.163 176.094 0.040 0.000 1.047 324 V CA -0.447 61.873 62.300 0.032 0.000 0.937 324 V CB 0.837 32.674 31.823 0.023 0.000 0.999 324 V HN 0.609 nan 8.190 nan 0.000 0.472 325 D N 3.287 123.718 120.400 0.051 0.000 2.312 325 D HA 0.261 4.901 4.640 -0.000 0.000 0.248 325 D C 0.096 176.441 176.300 0.075 0.000 1.086 325 D CA -0.402 53.641 54.000 0.072 0.000 0.948 325 D CB 0.746 41.610 40.800 0.107 0.000 1.162 325 D HN 0.411 nan 8.370 nan 0.000 0.446 326 N N -0.415 118.338 118.700 0.088 0.000 2.453 326 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 326 N C -0.410 175.189 175.510 0.148 0.000 1.252 326 N CA -0.263 52.846 53.050 0.098 0.000 0.917 326 N CB 0.571 39.111 38.487 0.089 0.000 1.117 326 N HN 0.071 nan 8.380 nan 0.000 0.442 327 V N 1.128 121.135 119.914 0.155 0.000 2.555 327 V HA 0.011 4.130 4.120 -0.000 0.000 0.286 327 V C 0.361 176.623 176.094 0.279 0.000 1.044 327 V CA -0.200 62.239 62.300 0.233 0.000 1.026 327 V CB 0.792 32.756 31.823 0.234 0.000 0.981 327 V HN 0.543 nan 8.190 nan 0.000 0.480 328 D N 4.186 124.837 120.400 0.418 0.000 2.443 328 D HA 0.304 4.944 4.640 -0.000 0.000 0.221 328 D C 0.798 177.311 176.300 0.355 0.000 1.097 328 D CA -0.268 53.910 54.000 0.298 0.000 0.865 328 D CB 1.235 42.148 40.800 0.189 0.000 1.034 328 D HN 0.414 nan 8.370 nan 0.000 0.511 329 L N 2.581 123.990 121.223 0.311 0.000 2.362 329 L HA 0.076 4.415 4.340 -0.000 0.000 0.219 329 L C 2.301 179.461 176.870 0.484 0.000 1.134 329 L CA 0.878 55.968 54.840 0.416 0.000 0.807 329 L CB 0.052 42.319 42.059 0.347 0.000 0.927 329 L HN 0.466 nan 8.230 nan 0.000 0.447 330 G N -0.584 108.397 108.800 0.303 0.000 2.744 330 G HA2 0.002 3.962 3.960 -0.000 0.000 0.211 330 G HA3 0.002 3.962 3.960 -0.000 0.000 0.211 330 G C 1.473 176.503 174.900 0.217 0.000 1.143 330 G CA 0.634 45.849 45.100 0.191 0.000 0.788 330 G HN 0.436 nan 8.290 nan 0.000 0.534 331 A N -0.106 122.815 122.820 0.169 0.000 2.267 331 A HA 0.488 4.808 4.320 -0.000 0.000 0.213 331 A C 0.877 178.529 177.584 0.113 0.000 1.192 331 A CA -0.355 51.685 52.037 0.005 0.000 0.851 331 A CB 0.078 18.835 19.000 -0.404 0.000 0.881 331 A HN 0.286 nan 8.150 nan 0.000 0.494 332 I N 1.194 121.924 120.570 0.265 0.000 2.529 332 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 332 I C -0.109 176.048 176.117 0.067 0.000 1.082 332 I CA -0.125 61.325 61.300 0.250 0.000 1.406 332 I CB 0.375 38.566 38.000 0.318 0.000 1.405 332 I HN 0.508 nan 8.210 nan 0.000 0.548 333 Y N 3.089 123.349 120.300 -0.066 0.000 2.670 333 Y HA 0.671 5.220 4.550 -0.001 0.000 0.334 333 Y C -1.368 174.405 175.900 -0.211 0.000 1.185 333 Y CA -1.359 56.639 58.100 -0.171 0.000 1.053 333 Y CB 1.130 39.543 38.460 -0.079 0.000 1.298 333 Y HN 0.427 nan 8.280 nan 0.000 0.459 334 E N 1.357 121.550 120.200 -0.011 0.000 2.248 334 E HA 0.336 4.686 4.350 -0.000 0.000 0.267 334 E C -1.617 175.012 176.600 0.048 0.000 0.877 334 E CA -1.041 55.289 56.400 -0.116 0.000 0.759 334 E CB 1.947 31.529 29.700 -0.196 0.000 1.182 334 E HN 0.545 nan 8.360 nan 0.000 0.418 335 D N 1.075 121.494 120.400 0.032 0.000 2.268 335 D HA 0.240 4.880 4.640 -0.000 0.000 0.249 335 D C 0.490 176.798 176.300 0.014 0.000 1.008 335 D CA -0.346 53.694 54.000 0.065 0.000 0.939 335 D CB 2.066 42.935 40.800 0.116 0.000 1.170 335 D HN 0.259 nan 8.370 nan 0.000 0.468 336 V N -1.608 118.322 119.914 0.027 0.000 3.276 336 V HA 0.203 4.322 4.120 -0.000 0.000 0.319 336 V C 1.613 177.726 176.094 0.032 0.000 1.476 336 V CA -0.364 61.974 62.300 0.065 0.000 1.097 336 V CB 0.141 32.030 31.823 0.110 0.000 0.988 336 V HN 0.395 nan 8.190 nan 0.000 0.473 337 K N 0.798 121.179 120.400 -0.033 0.000 2.059 337 K HA -0.157 4.163 4.320 -0.000 0.000 0.212 337 K C 1.185 177.485 176.600 -0.501 0.000 1.050 337 K CA 2.557 58.708 56.287 -0.227 0.000 0.927 337 K CB -0.219 32.134 32.500 -0.246 0.000 0.714 337 K HN 0.665 nan 8.250 nan 0.000 0.447 338 Y N 0.057 120.229 120.300 -0.214 0.000 2.607 338 Y HA 0.254 4.804 4.550 -0.000 0.000 0.266 338 Y C 0.053 175.613 175.900 -0.566 0.000 1.178 338 Y CA -0.643 57.217 58.100 -0.401 0.000 1.226 338 Y CB 0.883 39.158 38.460 -0.309 0.000 1.144 338 Y HN -0.119 nan 8.280 nan 0.000 0.528 339 S N -1.109 114.459 115.700 -0.220 0.000 2.681 339 S HA 0.219 4.689 4.470 -0.000 0.000 0.299 339 S C -0.559 173.859 174.600 -0.304 0.000 1.113 339 S CA -0.790 57.242 58.200 -0.280 0.000 1.013 339 S CB 0.895 64.162 63.200 0.112 0.000 1.076 339 S HN 0.280 nan 8.310 nan 0.000 0.534 340 W N 2.743 123.720 121.300 -0.538 0.000 1.395 340 W HA 0.338 4.998 4.660 -0.000 0.000 0.451 340 W C -1.046 174.898 176.519 -0.957 0.000 0.619 340 W CA -0.491 56.315 57.345 -0.899 0.000 2.212 340 W CB -1.365 27.120 29.460 -1.624 0.000 1.537 340 W HN 0.545 nan 8.180 nan 0.000 0.275 341 Y N -0.045 120.248 120.300 -0.011 0.000 2.609 341 Y HA 0.587 5.137 4.550 -0.001 0.000 0.342 341 Y C 0.463 176.339 175.900 -0.040 0.000 1.058 341 Y CA -1.910 56.193 58.100 0.005 0.000 1.055 341 Y CB 0.284 38.765 38.460 0.035 0.000 1.292 341 Y HN -0.027 nan 8.280 nan 0.000 0.476 342 A N 2.723 125.631 122.820 0.147 0.000 2.498 342 A HA 0.378 4.698 4.320 -0.000 0.000 0.239 342 A C -2.222 175.389 177.584 0.044 0.000 1.068 342 A CA -1.107 50.961 52.037 0.052 0.000 0.766 342 A CB -0.840 18.190 19.000 0.050 0.000 1.003 342 A HN 0.473 nan 8.150 nan 0.000 0.497 343 P HA 0.077 nan 4.420 nan 0.000 0.269 343 P C 0.809 178.116 177.300 0.012 0.000 1.200 343 P CA 1.509 64.617 63.100 0.013 0.000 0.779 343 P CB 0.129 31.829 31.700 -0.000 0.000 0.841 344 G N 0.918 109.720 108.800 0.003 0.000 2.273 344 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.280 344 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.280 344 G C 0.735 175.633 174.900 -0.004 0.000 1.047 344 G CA 0.107 45.204 45.100 -0.005 0.000 0.869 344 G HN 0.928 nan 8.290 nan 0.000 0.502 345 G N -1.054 107.747 108.800 0.001 0.000 3.519 345 G HA2 0.395 4.355 3.960 -0.000 0.000 0.269 345 G HA3 0.395 4.355 3.960 -0.000 0.000 0.269 345 G C 0.105 174.996 174.900 -0.015 0.000 1.028 345 G CA 0.153 45.249 45.100 -0.006 0.000 0.809 345 G HN 0.444 nan 8.290 nan 0.000 0.521 346 D N 0.431 120.823 120.400 -0.013 0.000 2.339 346 D HA 0.408 5.048 4.640 -0.000 0.000 0.245 346 D C 1.293 177.572 176.300 -0.034 0.000 1.115 346 D CA 0.983 54.978 54.000 -0.007 0.000 0.917 346 D CB 1.482 42.276 40.800 -0.011 0.000 1.192 346 D HN 0.237 nan 8.370 nan 0.000 0.428 347 G N 1.375 110.168 108.800 -0.011 0.000 2.221 347 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.265 347 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.265 347 G C 0.028 174.872 174.900 -0.094 0.000 1.041 347 G CA -0.013 44.972 45.100 -0.191 0.000 0.807 347 G HN 0.327 nan 8.290 nan 0.000 0.502 348 K N 0.898 121.304 120.400 0.009 0.000 2.285 348 K HA 0.199 4.518 4.320 -0.000 0.000 0.286 348 K C 0.530 177.131 176.600 0.002 0.000 1.072 348 K CA -0.680 55.603 56.287 -0.005 0.000 0.913 348 K CB 0.711 33.189 32.500 -0.036 0.000 1.067 348 K HN 0.508 nan 8.250 nan 0.000 0.479 349 H N 4.692 123.716 119.070 -0.077 0.000 2.928 349 H HA -0.003 4.553 4.556 -0.001 0.000 0.338 349 H C -1.640 173.497 175.328 -0.318 0.000 1.047 349 H CA -0.991 54.948 56.048 -0.181 0.000 1.435 349 H CB 1.135 30.813 29.762 -0.139 0.000 1.428 349 H HN 0.232 nan 8.280 nan 0.000 0.590 350 P HA -0.175 nan 4.420 nan 0.000 0.218 350 P C 0.863 177.932 177.300 -0.385 0.000 1.146 350 P CA 1.156 63.741 63.100 -0.859 0.000 0.813 350 P CB -0.082 30.547 31.700 -1.785 0.000 0.778 351 Y N 0.073 120.294 120.300 -0.131 0.000 2.403 351 Y HA -0.120 4.430 4.550 -0.000 0.000 0.291 351 Y C 1.386 177.308 175.900 0.036 0.000 1.143 351 Y CA 0.753 58.908 58.100 0.091 0.000 1.257 351 Y CB -0.837 37.743 38.460 0.200 0.000 0.984 351 Y HN 0.083 nan 8.280 nan 0.000 0.550 352 D N -0.904 119.594 120.400 0.164 0.000 2.462 352 D HA 0.149 4.788 4.640 -0.000 0.000 0.221 352 D C 0.986 177.299 176.300 0.021 0.000 1.173 352 D CA 0.125 54.172 54.000 0.079 0.000 0.831 352 D CB 0.021 40.859 40.800 0.063 0.000 1.001 352 D HN 0.144 nan 8.370 nan 0.000 0.499 353 G N 0.583 109.375 108.800 -0.013 0.000 2.484 353 G HA2 0.286 4.246 3.960 -0.000 0.000 0.235 353 G HA3 0.286 4.246 3.960 -0.000 0.000 0.235 353 G C 0.019 174.909 174.900 -0.016 0.000 1.282 353 G CA 0.068 45.138 45.100 -0.051 0.000 0.857 353 G HN 0.034 nan 8.290 nan 0.000 0.571 354 V N 1.185 121.075 119.914 -0.040 0.000 2.638 354 V HA 0.518 4.638 4.120 -0.000 0.000 0.306 354 V C -0.159 175.898 176.094 -0.060 0.000 1.052 354 V CA -0.652 61.635 62.300 -0.022 0.000 0.885 354 V CB 2.401 34.216 31.823 -0.014 0.000 0.999 354 V HN 0.837 nan 8.190 nan 0.000 0.424 355 T N 2.595 117.151 114.554 0.004 0.000 3.064 355 T HA 0.317 4.667 4.350 -0.000 0.000 0.367 355 T C -0.866 173.925 174.700 0.152 0.000 1.202 355 T CA -0.296 61.820 62.100 0.027 0.000 1.133 355 T CB 0.454 69.400 68.868 0.130 0.000 1.074 355 T HN 0.665 nan 8.240 nan 0.000 0.519 356 D N 4.411 124.928 120.400 0.195 0.000 2.404 356 D HA 0.286 4.926 4.640 -0.000 0.000 0.267 356 D C -2.387 174.088 176.300 0.292 0.000 1.194 356 D CA -2.161 51.960 54.000 0.202 0.000 0.910 356 D CB 1.302 42.175 40.800 0.121 0.000 1.090 356 D HN 0.151 nan 8.370 nan 0.000 0.511 357 P HA 0.114 nan 4.420 nan 0.000 0.265 357 P C -0.346 176.977 177.300 0.038 0.000 1.193 357 P CA -0.163 62.951 63.100 0.024 0.000 0.765 357 P CB 0.742 32.209 31.700 -0.388 0.000 0.823 358 K N 3.837 124.222 120.400 -0.025 0.000 2.761 358 K HA 0.169 4.488 4.320 -0.000 0.000 0.257 358 K C -1.592 174.923 176.600 -0.143 0.000 1.053 358 K CA -0.761 55.496 56.287 -0.050 0.000 1.035 358 K CB 0.742 33.201 32.500 -0.069 0.000 1.267 358 K HN 0.386 nan 8.250 nan 0.000 0.505 359 Y N 2.479 122.599 120.300 -0.300 0.000 2.346 359 Y HA 0.084 4.634 4.550 -0.000 0.000 0.330 359 Y C 1.387 177.056 175.900 -0.384 0.000 1.178 359 Y CA 0.895 58.604 58.100 -0.651 0.000 1.331 359 Y CB 1.058 39.195 38.460 -0.538 0.000 1.253 359 Y HN 0.693 nan 8.280 nan 0.000 0.529 360 T N 1.729 115.709 114.554 -0.956 0.000 3.507 360 T HA 0.374 4.723 4.350 -0.000 0.000 0.197 360 T C -0.447 173.852 174.700 -0.670 0.000 0.847 360 T CA 0.267 62.078 62.100 -0.481 0.000 1.531 360 T CB 0.130 68.927 68.868 -0.119 0.000 1.834 360 T HN 0.620 nan 8.240 nan 0.000 0.433 361 K N -0.289 119.760 120.400 -0.586 0.000 2.578 361 K HA 0.621 4.941 4.320 -0.000 0.000 0.287 361 K C -1.662 174.852 176.600 -0.143 0.000 1.010 361 K CA -1.112 54.937 56.287 -0.396 0.000 0.889 361 K CB 0.997 33.430 32.500 -0.111 0.000 1.514 361 K HN 0.220 nan 8.250 nan 0.000 0.424 362 L N 2.587 123.833 121.223 0.039 0.000 2.540 362 L HA 0.075 4.414 4.340 -0.000 0.000 0.276 362 L C -0.457 176.490 176.870 0.128 0.000 1.212 362 L CA 1.511 56.456 54.840 0.176 0.000 0.893 362 L CB -0.661 41.488 42.059 0.150 0.000 1.138 362 L HN 0.764 nan 8.230 nan 0.000 0.491 363 D N 1.672 122.170 120.400 0.163 0.000 2.800 363 D HA -0.223 4.417 4.640 -0.000 0.000 0.232 363 D C -0.251 176.023 176.300 -0.044 0.000 1.137 363 D CA 1.004 55.004 54.000 0.000 0.000 0.718 363 D CB -1.122 39.642 40.800 -0.059 0.000 1.084 363 D HN 0.706 nan 8.370 nan 0.000 0.432 364 D N 0.236 120.664 120.400 0.047 0.000 2.365 364 D HA 0.160 4.800 4.640 -0.000 0.000 0.237 364 D C 1.175 177.480 176.300 0.009 0.000 1.190 364 D CA -0.367 53.650 54.000 0.028 0.000 0.867 364 D CB 0.844 41.702 40.800 0.097 0.000 1.050 364 D HN -0.218 nan 8.370 nan 0.000 0.491 365 K N 2.058 122.413 120.400 -0.075 0.000 2.281 365 K HA -0.104 4.215 4.320 -0.000 0.000 0.203 365 K C 0.966 177.694 176.600 0.213 0.000 1.046 365 K CA 0.936 57.184 56.287 -0.066 0.000 0.938 365 K CB 0.143 32.572 32.500 -0.119 0.000 0.737 365 K HN 0.430 nan 8.250 nan 0.000 0.458 366 D N -0.726 119.724 120.400 0.082 0.000 2.194 366 D HA -0.042 4.597 4.640 -0.000 0.000 0.204 366 D C -0.108 175.862 176.300 -0.549 0.000 0.964 366 D CA 0.917 54.830 54.000 -0.145 0.000 0.846 366 D CB 0.238 40.892 40.800 -0.243 0.000 0.962 366 D HN 0.289 nan 8.370 nan 0.000 0.490 367 H N -0.510 118.512 119.070 -0.081 0.000 3.240 367 H HA 0.110 4.666 4.556 -0.000 0.000 0.326 367 H C -0.710 174.136 175.328 -0.804 0.000 1.015 367 H CA -0.366 55.397 56.048 -0.475 0.000 1.504 367 H CB 0.543 30.044 29.762 -0.435 0.000 1.754 367 H HN 0.093 nan 8.280 nan 0.000 0.505 368 Y N 0.611 120.310 120.300 -1.002 0.000 2.767 368 Y HA 0.537 5.087 4.550 -0.000 0.000 0.254 368 Y C -0.268 174.891 175.900 -1.236 0.000 1.133 368 Y CA -0.601 56.885 58.100 -1.023 0.000 1.225 368 Y CB 0.789 39.053 38.460 -0.327 0.000 1.312 368 Y HN 0.292 nan 8.280 nan 0.000 0.560 369 S N -0.691 114.016 115.700 -1.654 0.000 2.537 369 S HA 0.275 4.745 4.470 -0.000 0.000 0.270 369 S C -1.032 173.349 174.600 -0.365 0.000 1.142 369 S CA -0.686 57.089 58.200 -0.708 0.000 0.870 369 S CB 0.414 63.386 63.200 -0.379 0.000 1.112 369 S HN 0.416 nan 8.310 nan 0.000 0.466 370 W N 2.531 124.001 121.300 0.283 0.000 2.905 370 W HA 0.297 4.957 4.660 -0.000 0.000 0.251 370 W C 0.933 177.635 176.519 0.306 0.000 1.305 370 W CA -0.347 57.177 57.345 0.297 0.000 1.465 370 W CB 0.240 29.938 29.460 0.397 0.000 1.122 370 W HN 0.287 nan 8.180 nan 0.000 0.659 371 M N 1.429 121.256 119.600 0.378 0.000 2.217 371 M HA 0.123 4.603 4.480 -0.000 0.000 0.354 371 M C 0.543 176.971 176.300 0.213 0.000 1.225 371 M CA 0.304 55.760 55.300 0.261 0.000 1.137 371 M CB 0.868 33.557 32.600 0.148 0.000 1.576 371 M HN -0.217 nan 8.290 nan 0.000 0.461 372 K N 1.315 121.808 120.400 0.154 0.000 2.149 372 K HA 0.457 4.777 4.320 -0.000 0.000 0.245 372 K C -0.247 176.316 176.600 -0.061 0.000 1.024 372 K CA -0.412 55.890 56.287 0.024 0.000 0.899 372 K CB 0.621 33.063 32.500 -0.097 0.000 1.038 372 K HN 0.744 nan 8.250 nan 0.000 0.496 373 A N 2.945 125.707 122.820 -0.097 0.000 2.394 373 A HA 0.363 4.683 4.320 -0.000 0.000 0.333 373 A C -2.466 174.951 177.584 -0.278 0.000 1.397 373 A CA -1.771 50.179 52.037 -0.145 0.000 0.884 373 A CB 0.191 19.149 19.000 -0.069 0.000 1.147 373 A HN 0.304 nan 8.150 nan 0.000 0.505 374 P HA 0.393 nan 4.420 nan 0.000 0.276 374 P C -0.472 176.363 177.300 -0.775 0.000 1.230 374 P CA -0.089 62.457 63.100 -0.924 0.000 0.776 374 P CB 0.800 31.401 31.700 -1.831 0.000 0.888 375 R N 2.258 122.311 120.500 -0.745 0.000 2.837 375 R HA 0.480 4.819 4.340 -0.000 0.000 0.271 375 R C -1.440 174.705 176.300 -0.259 0.000 0.993 375 R CA -0.862 54.980 56.100 -0.431 0.000 0.931 375 R CB 1.688 31.629 30.300 -0.598 0.000 1.206 375 R HN 0.492 nan 8.270 nan 0.000 0.474 376 Y N 1.369 121.680 120.300 0.018 0.000 2.332 376 Y HA 0.187 4.737 4.550 -0.001 0.000 0.326 376 Y C 0.069 176.060 175.900 0.151 0.000 0.978 376 Y CA -0.352 57.834 58.100 0.144 0.000 1.205 376 Y CB 0.841 39.416 38.460 0.192 0.000 1.131 376 Y HN 0.722 nan 8.280 nan 0.000 0.462 377 K N 4.129 124.518 120.400 -0.018 0.000 3.130 377 K HA -0.265 4.055 4.320 -0.000 0.000 0.282 377 K C 0.875 177.579 176.600 0.173 0.000 1.145 377 K CA 1.193 57.513 56.287 0.055 0.000 0.831 377 K CB -1.480 30.991 32.500 -0.049 0.000 1.226 377 K HN 1.287 nan 8.250 nan 0.000 0.478 378 G N -0.374 108.589 108.800 0.272 0.000 2.179 378 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.220 378 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.220 378 G C -0.185 174.810 174.900 0.158 0.000 0.990 378 G CA 0.341 45.586 45.100 0.242 0.000 0.646 378 G HN 0.249 nan 8.290 nan 0.000 0.517 379 K N 0.439 120.932 120.400 0.154 0.000 2.259 379 K HA 0.771 5.091 4.320 -0.000 0.000 0.249 379 K C 0.400 177.087 176.600 0.144 0.000 0.942 379 K CA -0.131 56.232 56.287 0.126 0.000 0.816 379 K CB 2.069 34.644 32.500 0.124 0.000 1.155 379 K HN 0.495 nan 8.250 nan 0.000 0.428 380 A N 3.185 126.065 122.820 0.100 0.000 2.425 380 A HA 0.405 4.724 4.320 -0.000 0.000 0.249 380 A C -0.412 177.245 177.584 0.123 0.000 1.084 380 A CA -0.002 52.111 52.037 0.126 0.000 0.781 380 A CB 0.167 19.200 19.000 0.056 0.000 1.019 380 A HN 0.530 nan 8.150 nan 0.000 0.490 381 M N 1.944 121.670 119.600 0.209 0.000 2.253 381 M HA 0.303 4.782 4.480 -0.000 0.000 0.314 381 M C -0.229 176.093 176.300 0.038 0.000 1.019 381 M CA -0.223 55.086 55.300 0.016 0.000 0.932 381 M CB 1.562 34.019 32.600 -0.239 0.000 1.606 381 M HN 0.938 nan 8.290 nan 0.000 0.430 382 E N 2.886 123.068 120.200 -0.030 0.000 2.289 382 E HA 0.483 4.833 4.350 -0.000 0.000 0.278 382 E C -1.012 175.642 176.600 0.089 0.000 1.032 382 E CA -0.527 55.944 56.400 0.117 0.000 0.854 382 E CB 1.126 30.930 29.700 0.173 0.000 1.046 382 E HN 0.550 nan 8.360 nan 0.000 0.409 383 V N 1.131 121.110 119.914 0.108 0.000 3.046 383 V HA 0.999 5.118 4.120 -0.000 0.000 0.316 383 V C 0.327 176.476 176.094 0.092 0.000 1.104 383 V CA 0.223 62.519 62.300 -0.008 0.000 1.006 383 V CB 1.068 32.771 31.823 -0.200 0.000 1.058 383 V HN 1.010 nan 8.190 nan 0.000 0.440 384 G N 2.185 111.012 108.800 0.044 0.000 2.362 384 G HA2 0.032 3.991 3.960 -0.000 0.000 0.517 384 G HA3 0.032 3.991 3.960 -0.000 0.000 0.517 384 G C -2.553 172.384 174.900 0.062 0.000 1.256 384 G CA -0.013 45.127 45.100 0.067 0.000 1.027 384 G HN 0.650 nan 8.290 nan 0.000 0.491 385 P HA -0.033 nan 4.420 nan 0.000 0.216 385 P C 2.225 179.496 177.300 -0.048 0.000 1.153 385 P CA 1.500 64.626 63.100 0.042 0.000 0.858 385 P CB 0.088 31.757 31.700 -0.052 0.000 0.789 386 L N -0.492 120.682 121.223 -0.081 0.000 2.056 386 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 386 L C 2.259 179.003 176.870 -0.210 0.000 1.078 386 L CA 1.935 56.664 54.840 -0.186 0.000 0.749 386 L CB -1.601 40.408 42.059 -0.083 0.000 0.901 386 L HN -0.126 nan 8.230 nan 0.000 0.433 387 A N -0.304 122.507 122.820 -0.015 0.000 1.865 387 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 387 A C 2.443 179.972 177.584 -0.092 0.000 1.191 387 A CA 1.996 54.044 52.037 0.017 0.000 0.623 387 A CB -0.609 18.480 19.000 0.148 0.000 0.826 387 A HN 0.483 nan 8.150 nan 0.000 0.444 388 R N -1.140 119.308 120.500 -0.087 0.000 2.083 388 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 388 R C 2.373 178.413 176.300 -0.434 0.000 1.137 388 R CA 1.932 57.934 56.100 -0.164 0.000 0.951 388 R CB -0.897 29.405 30.300 0.003 0.000 0.851 388 R HN 0.569 nan 8.270 nan 0.000 0.434 389 T N 0.852 115.165 114.554 -0.402 0.000 2.684 389 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 389 T C 1.510 175.958 174.700 -0.419 0.000 1.036 389 T CA 1.409 63.216 62.100 -0.489 0.000 1.148 389 T CB -0.288 68.377 68.868 -0.339 0.000 0.863 389 T HN 0.067 nan 8.240 nan 0.000 0.436 390 F N 0.921 120.658 119.950 -0.355 0.000 2.134 390 F HA 0.081 4.608 4.527 -0.000 0.000 0.299 390 F C 2.176 177.870 175.800 -0.178 0.000 1.097 390 F CA 0.227 58.051 58.000 -0.294 0.000 1.264 390 F CB -0.726 37.964 39.000 -0.516 0.000 1.001 390 F HN 0.137 nan 8.300 nan 0.000 0.479 391 I N -0.512 120.040 120.570 -0.029 0.000 2.179 391 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 391 I C 2.621 178.669 176.117 -0.116 0.000 1.088 391 I CA 1.273 62.541 61.300 -0.055 0.000 1.357 391 I CB -0.843 37.115 38.000 -0.070 0.000 1.051 391 I HN 0.078 nan 8.210 nan 0.000 0.409 392 A N 0.144 122.782 122.820 -0.303 0.000 1.877 392 A HA -0.291 4.029 4.320 -0.000 0.000 0.216 392 A C 2.314 179.819 177.584 -0.132 0.000 1.186 392 A CA 1.658 53.473 52.037 -0.369 0.000 0.620 392 A CB -1.131 17.221 19.000 -1.080 0.000 0.822 392 A HN 0.485 nan 8.150 nan 0.000 0.443 393 Y N 0.595 120.774 120.300 -0.202 0.000 2.097 393 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 393 Y C 2.742 178.632 175.900 -0.017 0.000 1.152 393 Y CA 1.458 59.521 58.100 -0.060 0.000 1.136 393 Y CB -0.636 37.794 38.460 -0.051 0.000 0.975 393 Y HN 0.311 nan 8.280 nan 0.000 0.498 394 A N -0.021 122.837 122.820 0.062 0.000 1.940 394 A HA -0.206 4.113 4.320 -0.000 0.000 0.219 394 A C 2.138 179.681 177.584 -0.068 0.000 1.176 394 A CA 1.901 53.934 52.037 -0.006 0.000 0.631 394 A CB -0.560 18.476 19.000 0.060 0.000 0.814 394 A HN 0.513 nan 8.150 nan 0.000 0.446 395 K N -1.444 118.921 120.400 -0.058 0.000 2.486 395 K HA 0.152 4.472 4.320 -0.000 0.000 0.194 395 K C 0.966 177.528 176.600 -0.064 0.000 1.033 395 K CA 0.462 56.719 56.287 -0.049 0.000 1.004 395 K CB -0.175 32.306 32.500 -0.032 0.000 0.798 395 K HN 0.681 nan 8.250 nan 0.000 0.495 396 G N 2.037 110.768 108.800 -0.115 0.000 2.176 396 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 396 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 396 G C -0.156 174.720 174.900 -0.039 0.000 1.024 396 G CA -0.106 44.926 45.100 -0.114 0.000 0.755 396 G HN 0.303 nan 8.290 nan 0.000 0.507 397 Q N -0.059 119.742 119.800 0.001 0.000 2.244 397 Q HA 0.134 4.473 4.340 -0.000 0.000 0.278 397 Q C -0.859 175.201 176.000 0.100 0.000 1.093 397 Q CA -0.851 54.999 55.803 0.080 0.000 0.916 397 Q CB 0.972 29.791 28.738 0.135 0.000 1.159 397 Q HN 0.277 nan 8.270 nan 0.000 0.384 398 P HA -0.124 nan 4.420 nan 0.000 0.217 398 P C 0.363 177.674 177.300 0.018 0.000 1.150 398 P CA 0.980 64.097 63.100 0.028 0.000 0.832 398 P CB 0.382 32.089 31.700 0.013 0.000 0.787 399 D N -1.233 119.173 120.400 0.010 0.000 2.097 399 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 399 D C 1.806 178.020 176.300 -0.144 0.000 0.989 399 D CA 1.143 55.085 54.000 -0.097 0.000 0.827 399 D CB -0.933 39.771 40.800 -0.161 0.000 0.966 399 D HN 0.142 nan 8.370 nan 0.000 0.456 400 F N 1.289 121.192 119.950 -0.079 0.000 2.146 400 F HA -0.077 4.449 4.527 -0.001 0.000 0.298 400 F C 2.386 178.211 175.800 0.041 0.000 1.096 400 F CA 0.967 58.924 58.000 -0.072 0.000 1.275 400 F CB -0.157 38.786 39.000 -0.096 0.000 1.008 400 F HN -0.147 nan 8.300 nan 0.000 0.480 401 K N 0.799 121.345 120.400 0.244 0.000 2.032 401 K HA -0.269 4.050 4.320 -0.000 0.000 0.209 401 K C 2.243 178.931 176.600 0.146 0.000 1.048 401 K CA 1.743 58.157 56.287 0.213 0.000 0.927 401 K CB -0.208 32.304 32.500 0.020 0.000 0.712 401 K HN 0.170 nan 8.250 nan 0.000 0.441 402 K N 0.157 120.582 120.400 0.041 0.000 2.057 402 K HA -0.095 4.224 4.320 -0.000 0.000 0.206 402 K C 1.904 178.477 176.600 -0.046 0.000 1.050 402 K CA 1.339 57.618 56.287 -0.014 0.000 0.935 402 K CB 0.161 32.631 32.500 -0.050 0.000 0.715 402 K HN 0.013 nan 8.250 nan 0.000 0.439 403 V N 0.325 120.187 119.914 -0.087 0.000 2.446 403 V HA -0.155 3.964 4.120 -0.000 0.000 0.244 403 V C 2.237 178.251 176.094 -0.134 0.000 1.039 403 V CA 1.037 63.250 62.300 -0.145 0.000 1.045 403 V CB 0.088 31.768 31.823 -0.239 0.000 0.681 403 V HN 0.100 nan 8.190 nan 0.000 0.459 404 V N 0.489 120.345 119.914 -0.096 0.000 2.287 404 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 404 V C 2.325 178.334 176.094 -0.141 0.000 1.053 404 V CA 2.341 64.537 62.300 -0.174 0.000 1.027 404 V CB -0.713 30.939 31.823 -0.286 0.000 0.646 404 V HN 0.531 nan 8.190 nan 0.000 0.447 405 D N -0.684 119.703 120.400 -0.021 0.000 2.144 405 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 405 D C 2.072 178.342 176.300 -0.050 0.000 0.984 405 D CA 1.114 55.111 54.000 -0.005 0.000 0.834 405 D CB -0.313 40.521 40.800 0.056 0.000 0.955 405 D HN 0.281 nan 8.370 nan 0.000 0.465 406 M N 0.715 120.273 119.600 -0.069 0.000 2.117 406 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 406 M C 1.815 178.051 176.300 -0.107 0.000 1.065 406 M CA 1.149 56.397 55.300 -0.087 0.000 1.114 406 M CB -0.187 32.352 32.600 -0.102 0.000 1.361 406 M HN -0.127 nan 8.290 nan 0.000 0.408 407 V N 0.763 120.597 119.914 -0.133 0.000 2.346 407 V HA -0.238 3.882 4.120 -0.000 0.000 0.244 407 V C 2.571 178.585 176.094 -0.133 0.000 1.037 407 V CA 1.175 63.384 62.300 -0.152 0.000 1.029 407 V CB -0.710 30.998 31.823 -0.193 0.000 0.663 407 V HN 0.460 nan 8.190 nan 0.000 0.454 408 L N 0.567 121.710 121.223 -0.133 0.000 2.131 408 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 408 L C 2.563 179.389 176.870 -0.075 0.000 1.092 408 L CA 1.681 56.456 54.840 -0.108 0.000 0.759 408 L CB -1.158 40.833 42.059 -0.113 0.000 0.903 408 L HN 0.492 nan 8.230 nan 0.000 0.435 409 G N -0.120 108.638 108.800 -0.069 0.000 2.424 409 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.214 409 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.214 409 G C 1.639 176.501 174.900 -0.064 0.000 1.202 409 G CA 0.151 45.218 45.100 -0.056 0.000 0.793 409 G HN 0.102 nan 8.290 nan 0.000 0.534 410 K N 0.417 120.770 120.400 -0.077 0.000 2.074 410 K HA -0.022 4.298 4.320 -0.000 0.000 0.209 410 K C 2.317 178.867 176.600 -0.084 0.000 1.048 410 K CA 0.834 57.071 56.287 -0.083 0.000 0.926 410 K CB -0.566 31.876 32.500 -0.097 0.000 0.713 410 K HN 0.367 nan 8.250 nan 0.000 0.444 411 L N 0.789 121.961 121.223 -0.085 0.000 2.591 411 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 411 L C 0.204 177.038 176.870 -0.060 0.000 1.133 411 L CA -0.168 54.626 54.840 -0.077 0.000 0.880 411 L CB -0.212 41.800 42.059 -0.077 0.000 1.033 411 L HN -0.046 nan 8.230 nan 0.000 0.450 412 S N 0.748 116.415 115.700 -0.055 0.000 3.336 412 S HA -0.118 4.352 4.470 -0.000 0.000 0.362 412 S C -0.072 174.510 174.600 -0.029 0.000 0.941 412 S CA 0.729 58.905 58.200 -0.040 0.000 1.297 412 S CB -1.369 61.808 63.200 -0.040 0.000 0.915 412 S HN 0.420 nan 8.310 nan 0.000 0.527 413 V N -1.401 118.496 119.914 -0.030 0.000 3.040 413 V HA 0.978 5.097 4.120 -0.000 0.000 0.312 413 V C -2.462 173.624 176.094 -0.014 0.000 1.115 413 V CA -2.365 59.926 62.300 -0.015 0.000 0.998 413 V CB 2.296 34.111 31.823 -0.013 0.000 1.042 413 V HN 0.128 nan 8.190 nan 0.000 0.433 414 P HA 0.414 nan 4.420 nan 0.000 0.278 414 P C 0.679 177.988 177.300 0.014 0.000 1.258 414 P CA 0.096 63.207 63.100 0.018 0.000 0.811 414 P CB 1.621 33.345 31.700 0.040 0.000 1.063 415 A N 1.170 124.002 122.820 0.021 0.000 1.978 415 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 415 A C 1.959 179.605 177.584 0.103 0.000 1.170 415 A CA 2.406 54.442 52.037 -0.001 0.000 0.636 415 A CB -2.035 16.981 19.000 0.026 0.000 0.810 415 A HN 0.708 nan 8.150 nan 0.000 0.448 416 T N -2.084 112.565 114.554 0.158 0.000 2.881 416 T HA 0.036 4.386 4.350 -0.000 0.000 0.270 416 T C 1.746 176.592 174.700 0.244 0.000 1.068 416 T CA 1.372 63.638 62.100 0.277 0.000 1.131 416 T CB -0.505 68.480 68.868 0.195 0.000 0.871 416 T HN 0.603 nan 8.240 nan 0.000 0.479 417 A N 1.135 124.031 122.820 0.126 0.000 2.172 417 A HA 0.288 4.608 4.320 -0.000 0.000 0.216 417 A C 2.271 179.907 177.584 0.086 0.000 1.154 417 A CA 0.611 52.708 52.037 0.100 0.000 0.701 417 A CB -0.790 18.241 19.000 0.052 0.000 0.789 417 A HN 0.588 nan 8.150 nan 0.000 0.465 418 L N -0.680 120.570 121.223 0.046 0.000 2.291 418 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 418 L C 0.589 177.523 176.870 0.106 0.000 1.120 418 L CA 0.231 55.042 54.840 -0.049 0.000 0.799 418 L CB -0.487 41.361 42.059 -0.352 0.000 0.925 418 L HN 0.415 nan 8.230 nan 0.000 0.446 419 H N 1.224 120.508 119.070 0.357 0.000 3.563 419 H HA 0.193 4.749 4.556 -0.000 0.000 0.219 419 H C 0.261 175.715 175.328 0.210 0.000 1.771 419 H CA 0.340 56.581 56.048 0.322 0.000 1.458 419 H CB -0.341 29.539 29.762 0.197 0.000 1.796 419 H HN 0.300 nan 8.280 nan 0.000 0.652 420 S N -0.994 114.864 115.700 0.263 0.000 2.655 420 S HA 0.110 4.580 4.470 -0.000 0.000 0.266 420 S C 0.887 175.601 174.600 0.189 0.000 1.149 420 S CA -0.668 57.660 58.200 0.212 0.000 0.818 420 S CB 1.316 64.633 63.200 0.195 0.000 1.130 420 S HN 0.124 nan 8.310 nan 0.000 0.476 421 T N 0.978 115.696 114.554 0.272 0.000 2.821 421 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 421 T C 1.708 176.582 174.700 0.290 0.000 1.046 421 T CA 1.606 63.905 62.100 0.330 0.000 1.139 421 T CB -0.555 68.688 68.868 0.624 0.000 0.871 421 T HN 0.450 nan 8.240 nan 0.000 0.454 422 L N 1.289 122.687 121.223 0.292 0.000 2.017 422 L HA 0.113 4.452 4.340 -0.000 0.000 0.208 422 L C 2.596 179.477 176.870 0.019 0.000 1.073 422 L CA 1.876 56.793 54.840 0.128 0.000 0.745 422 L CB -1.178 40.973 42.059 0.152 0.000 0.894 422 L HN 0.295 nan 8.230 nan 0.000 0.432 423 G N -1.095 107.718 108.800 0.022 0.000 2.446 423 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 423 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 423 G C 1.809 176.643 174.900 -0.110 0.000 1.168 423 G CA 0.879 45.931 45.100 -0.081 0.000 0.771 423 G HN 0.374 nan 8.290 nan 0.000 0.551 424 R N -0.261 120.212 120.500 -0.044 0.000 2.091 424 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 424 R C 2.686 178.957 176.300 -0.049 0.000 1.136 424 R CA 2.004 58.055 56.100 -0.080 0.000 0.959 424 R CB -0.417 29.799 30.300 -0.140 0.000 0.856 424 R HN 0.380 nan 8.270 nan 0.000 0.437 425 T N 0.104 114.678 114.554 0.032 0.000 2.770 425 T HA -0.035 4.314 4.350 -0.000 0.000 0.263 425 T C 1.812 176.485 174.700 -0.045 0.000 1.039 425 T CA 1.172 63.330 62.100 0.097 0.000 1.142 425 T CB -0.257 68.689 68.868 0.131 0.000 0.868 425 T HN 0.423 nan 8.240 nan 0.000 0.435 426 A N 1.627 124.370 122.820 -0.128 0.000 1.902 426 A HA 0.185 4.504 4.320 -0.000 0.000 0.217 426 A C 2.671 180.121 177.584 -0.224 0.000 1.181 426 A CA 1.769 53.681 52.037 -0.209 0.000 0.623 426 A CB -1.171 17.701 19.000 -0.213 0.000 0.818 426 A HN 0.493 nan 8.150 nan 0.000 0.443 427 A N -0.109 122.585 122.820 -0.210 0.000 1.917 427 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 427 A C 2.230 179.729 177.584 -0.142 0.000 1.182 427 A CA 2.037 53.953 52.037 -0.201 0.000 0.633 427 A CB -0.538 18.322 19.000 -0.233 0.000 0.819 427 A HN 0.585 nan 8.150 nan 0.000 0.448 428 R N -0.769 119.633 120.500 -0.164 0.000 2.081 428 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 428 R C 2.229 178.435 176.300 -0.158 0.000 1.131 428 R CA 1.683 57.633 56.100 -0.251 0.000 0.960 428 R CB -0.635 29.510 30.300 -0.260 0.000 0.856 428 R HN 0.466 nan 8.270 nan 0.000 0.436 429 G N 0.585 109.244 108.800 -0.235 0.000 2.394 429 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.215 429 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.215 429 G C 1.450 176.126 174.900 -0.374 0.000 1.165 429 G CA 0.637 45.407 45.100 -0.549 0.000 0.784 429 G HN 0.248 nan 8.290 nan 0.000 0.535 430 I N 1.609 122.010 120.570 -0.282 0.000 2.091 430 I HA -0.287 3.883 4.170 -0.000 0.000 0.239 430 I C 2.964 178.954 176.117 -0.212 0.000 1.061 430 I CA 2.096 63.248 61.300 -0.247 0.000 1.317 430 I CB -0.292 37.586 38.000 -0.203 0.000 1.031 430 I HN 0.487 nan 8.210 nan 0.000 0.401 431 E N 0.198 120.379 120.200 -0.032 0.000 2.204 431 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 431 E C 1.843 178.612 176.600 0.281 0.000 0.989 431 E CA 1.671 58.145 56.400 0.124 0.000 0.824 431 E CB -0.470 29.536 29.700 0.510 0.000 0.756 431 E HN 0.406 nan 8.360 nan 0.000 0.477 432 T N 1.110 115.824 114.554 0.266 0.000 2.746 432 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 432 T C 2.061 176.828 174.700 0.112 0.000 1.039 432 T CA 1.442 63.731 62.100 0.315 0.000 1.142 432 T CB -0.301 68.804 68.868 0.395 0.000 0.866 432 T HN 0.418 nan 8.240 nan 0.000 0.444 433 A N 0.860 123.650 122.820 -0.051 0.000 1.972 433 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 433 A C 2.252 179.754 177.584 -0.137 0.000 1.169 433 A CA 1.088 53.051 52.037 -0.123 0.000 0.635 433 A CB -0.702 18.173 19.000 -0.209 0.000 0.810 433 A HN 0.540 nan 8.150 nan 0.000 0.446 434 I N -0.921 119.554 120.570 -0.158 0.000 2.277 434 I HA -0.144 4.026 4.170 -0.000 0.000 0.243 434 I C 2.306 178.386 176.117 -0.062 0.000 1.094 434 I CA 0.683 61.864 61.300 -0.199 0.000 1.393 434 I CB -0.339 37.361 38.000 -0.500 0.000 1.078 434 I HN 0.121 nan 8.210 nan 0.000 0.417 435 V N 0.468 120.451 119.914 0.115 0.000 2.282 435 V HA -0.389 3.731 4.120 -0.000 0.000 0.249 435 V C 2.652 178.658 176.094 -0.146 0.000 1.057 435 V CA 2.083 64.387 62.300 0.006 0.000 1.032 435 V CB -0.724 31.179 31.823 0.134 0.000 0.645 435 V HN 0.582 nan 8.190 nan 0.000 0.447 436 c N 0.090 118.648 118.600 -0.070 0.000 2.401 436 c HA -0.172 4.398 4.570 -0.000 0.000 0.276 436 c C 3.035 177.009 174.090 -0.193 0.000 1.233 436 c CA 0.993 57.260 56.329 -0.103 0.000 1.753 436 c CB -1.349 41.131 42.510 -0.051 0.000 2.029 436 c HN 0.655 nan 8.230 nan 0.000 0.478 437 A N -0.026 122.663 122.820 -0.219 0.000 2.121 437 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 437 A C 1.857 179.216 177.584 -0.375 0.000 1.154 437 A CA 1.425 53.313 52.037 -0.249 0.000 0.679 437 A CB -0.457 18.412 19.000 -0.218 0.000 0.795 437 A HN 0.776 nan 8.150 nan 0.000 0.458 438 N N -1.095 117.253 118.700 -0.587 0.000 2.322 438 N HA 0.030 4.770 4.740 -0.000 0.000 0.181 438 N C 1.344 176.210 175.510 -1.074 0.000 1.088 438 N CA 0.238 52.642 53.050 -1.076 0.000 0.885 438 N CB -0.041 37.334 38.487 -1.853 0.000 1.013 438 N HN 0.269 nan 8.380 nan 0.000 0.472 439 M N 1.522 120.774 119.600 -0.581 0.000 2.082 439 M HA -0.194 4.286 4.480 -0.000 0.000 0.258 439 M C 2.152 178.371 176.300 -0.135 0.000 1.071 439 M CA 1.570 56.734 55.300 -0.225 0.000 1.103 439 M CB -1.215 31.302 32.600 -0.140 0.000 1.307 439 M HN 0.184 nan 8.290 nan 0.000 0.409 440 E N 0.231 120.330 120.200 -0.168 0.000 2.085 440 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 440 E C 2.101 178.657 176.600 -0.074 0.000 0.994 440 E CA 1.749 58.091 56.400 -0.096 0.000 0.801 440 E CB -0.025 29.613 29.700 -0.102 0.000 0.743 440 E HN 0.424 nan 8.360 nan 0.000 0.453 441 K N -0.160 120.141 120.400 -0.165 0.000 2.001 441 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 441 K C 1.954 178.576 176.600 0.037 0.000 1.050 441 K CA 1.952 58.165 56.287 -0.124 0.000 0.934 441 K CB -0.281 32.059 32.500 -0.268 0.000 0.718 441 K HN 0.262 nan 8.250 nan 0.000 0.443 442 W N 1.016 122.300 121.300 -0.027 0.000 2.338 442 W HA -0.139 4.521 4.660 -0.000 0.000 0.304 442 W C 2.065 178.595 176.519 0.019 0.000 1.212 442 W CA 0.679 58.015 57.345 -0.014 0.000 1.264 442 W CB -0.956 28.478 29.460 -0.042 0.000 1.142 442 W HN 0.152 nan 8.180 nan 0.000 0.512 443 I N 0.325 121.056 120.570 0.268 0.000 2.179 443 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 443 I C 2.499 178.696 176.117 0.132 0.000 1.088 443 I CA 1.788 63.214 61.300 0.210 0.000 1.357 443 I CB -0.617 37.503 38.000 0.201 0.000 1.051 443 I HN -0.179 nan 8.210 nan 0.000 0.409 444 K N 1.339 121.797 120.400 0.097 0.000 2.097 444 K HA -0.237 4.082 4.320 -0.000 0.000 0.206 444 K C 1.973 178.616 176.600 0.071 0.000 1.049 444 K CA 1.630 57.956 56.287 0.066 0.000 0.933 444 K CB -0.260 32.262 32.500 0.037 0.000 0.717 444 K HN 0.342 nan 8.250 nan 0.000 0.442 445 E N -0.144 120.115 120.200 0.097 0.000 2.058 445 E HA -0.255 4.094 4.350 -0.000 0.000 0.194 445 E C 2.008 178.653 176.600 0.075 0.000 0.997 445 E CA 1.681 58.137 56.400 0.093 0.000 0.801 445 E CB -0.166 29.615 29.700 0.134 0.000 0.746 445 E HN 0.452 nan 8.360 nan 0.000 0.450 446 M N -0.098 119.551 119.600 0.081 0.000 2.200 446 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 446 M C 2.180 178.506 176.300 0.042 0.000 1.066 446 M CA 1.373 56.704 55.300 0.052 0.000 1.127 446 M CB 0.006 32.629 32.600 0.039 0.000 1.379 446 M HN 0.231 nan 8.290 nan 0.000 0.420 447 A N 0.741 123.591 122.820 0.049 0.000 1.865 447 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 447 A C 1.632 179.238 177.584 0.037 0.000 1.191 447 A CA 2.237 54.298 52.037 0.041 0.000 0.623 447 A CB -0.991 18.037 19.000 0.047 0.000 0.826 447 A HN 0.524 nan 8.150 nan 0.000 0.444 448 D N -0.572 119.852 120.400 0.039 0.000 2.097 448 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 448 D C 2.292 178.612 176.300 0.034 0.000 0.989 448 D CA 1.652 55.673 54.000 0.034 0.000 0.827 448 D CB -0.642 40.178 40.800 0.034 0.000 0.966 448 D HN 0.397 nan 8.370 nan 0.000 0.456 449 S N -0.138 115.585 115.700 0.038 0.000 2.359 449 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 449 S C 2.110 176.734 174.600 0.039 0.000 1.035 449 S CA 1.949 60.172 58.200 0.037 0.000 1.018 449 S CB -0.630 62.593 63.200 0.038 0.000 0.876 449 S HN 0.335 nan 8.310 nan 0.000 0.448 450 G N 0.000 108.824 108.800 0.040 0.000 2.484 450 G HA2 0.154 4.114 3.960 -0.000 0.000 0.218 450 G HA3 0.154 4.114 3.960 -0.000 0.000 0.218 450 G C 1.519 176.446 174.900 0.046 0.000 1.130 450 G CA 0.787 45.915 45.100 0.047 0.000 0.784 450 G HN 0.676 nan 8.290 nan 0.000 0.543 451 A N 0.637 123.479 122.820 0.037 0.000 1.970 451 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 451 A C 2.269 179.871 177.584 0.030 0.000 1.170 451 A CA 1.607 53.663 52.037 0.032 0.000 0.645 451 A CB -0.157 18.860 19.000 0.027 0.000 0.816 451 A HN 0.347 nan 8.150 nan 0.000 0.447 452 K N -0.966 119.452 120.400 0.031 0.000 2.044 452 K HA -0.017 4.302 4.320 -0.000 0.000 0.204 452 K C -0.025 176.594 176.600 0.031 0.000 1.049 452 K CA 1.181 57.484 56.287 0.028 0.000 0.945 452 K CB 0.199 32.715 32.500 0.027 0.000 0.724 452 K HN 0.432 nan 8.250 nan 0.000 0.440 453 D N -0.318 120.106 120.400 0.039 0.000 2.890 453 D HA 0.012 4.652 4.640 -0.000 0.000 0.233 453 D C -1.149 175.191 176.300 0.068 0.000 1.306 453 D CA -0.349 53.679 54.000 0.047 0.000 0.929 453 D CB 0.961 41.786 40.800 0.043 0.000 1.512 453 D HN 0.231 nan 8.370 nan 0.000 0.568 454 N N 1.585 120.336 118.700 0.085 0.000 2.322 454 N HA 0.009 4.749 4.740 -0.000 0.000 0.216 454 N C -0.348 175.301 175.510 0.230 0.000 1.144 454 N CA -0.379 52.759 53.050 0.147 0.000 0.830 454 N CB 0.252 38.834 38.487 0.159 0.000 1.034 454 N HN 0.041 nan 8.380 nan 0.000 0.484 455 T N 1.214 115.864 114.554 0.161 0.000 2.871 455 T HA 0.003 4.353 4.350 -0.000 0.000 0.296 455 T C 0.623 175.408 174.700 0.141 0.000 0.998 455 T CA -0.008 62.197 62.100 0.175 0.000 1.162 455 T CB 1.259 70.190 68.868 0.106 0.000 0.947 455 T HN 0.247 nan 8.240 nan 0.000 0.536 456 L N 3.008 124.315 121.223 0.141 0.000 3.076 456 L HA 0.452 4.792 4.340 -0.000 0.000 0.271 456 L C 0.036 176.884 176.870 -0.037 0.000 1.152 456 L CA 0.242 55.062 54.840 -0.034 0.000 0.996 456 L CB 0.744 42.605 42.059 -0.332 0.000 1.453 456 L HN 0.752 nan 8.230 nan 0.000 0.571 457 C N 0.386 119.716 119.300 0.050 0.000 2.686 457 C HA 0.860 5.319 4.460 -0.000 0.000 0.318 457 C C 0.074 175.134 174.990 0.117 0.000 1.160 457 C CA -0.315 58.743 59.018 0.067 0.000 1.396 457 C CB 0.600 28.391 27.740 0.086 0.000 1.924 457 C HN 0.466 nan 8.230 nan 0.000 0.471 458 A N 4.748 127.642 122.820 0.123 0.000 2.282 458 A HA 0.719 5.039 4.320 -0.000 0.000 0.319 458 A C -0.442 177.285 177.584 0.238 0.000 1.121 458 A CA -0.493 51.630 52.037 0.144 0.000 0.836 458 A CB 0.567 19.632 19.000 0.107 0.000 1.146 458 A HN 0.901 nan 8.150 nan 0.000 0.494 459 K N 1.118 121.623 120.400 0.175 0.000 2.295 459 K HA 0.362 4.682 4.320 -0.000 0.000 0.270 459 K C -0.695 176.055 176.600 0.250 0.000 1.011 459 K CA 0.222 56.595 56.287 0.143 0.000 0.953 459 K CB 0.658 33.184 32.500 0.044 0.000 0.956 459 K HN 0.769 nan 8.250 nan 0.000 0.477 460 W N 0.728 122.034 121.300 0.011 0.000 3.066 460 W HA 0.420 5.080 4.660 0.000 0.000 0.330 460 W C -1.403 175.121 176.519 0.009 0.000 1.253 460 W CA -0.712 56.638 57.345 0.007 0.000 1.187 460 W CB 0.706 30.168 29.460 0.004 0.000 1.434 460 W HN 0.463 nan 8.180 nan 0.000 0.572 461 E N 1.560 121.867 120.200 0.178 0.000 2.248 461 E HA 0.340 4.690 4.350 -0.000 0.000 0.267 461 E C -0.939 175.808 176.600 0.245 0.000 0.877 461 E CA -1.406 54.992 56.400 -0.004 0.000 0.759 461 E CB 2.985 32.685 29.700 -0.000 0.000 1.182 461 E HN 0.278 nan 8.360 nan 0.000 0.418 462 M N 5.112 124.797 119.600 0.140 0.000 2.194 462 M HA 0.194 4.674 4.480 -0.000 0.000 0.347 462 M C -2.363 174.021 176.300 0.140 0.000 1.439 462 M CA -1.893 53.568 55.300 0.269 0.000 1.131 462 M CB 0.293 33.029 32.600 0.226 0.000 1.733 462 M HN 0.165 nan 8.290 nan 0.000 0.467 463 P HA 0.137 nan 4.420 nan 0.000 0.277 463 P C -0.132 177.205 177.300 0.062 0.000 1.240 463 P CA -0.176 62.971 63.100 0.078 0.000 0.798 463 P CB 0.728 32.468 31.700 0.067 0.000 0.979 464 E N 0.536 120.760 120.200 0.040 0.000 2.051 464 E HA -0.143 4.206 4.350 -0.000 0.000 0.192 464 E C 0.398 177.016 176.600 0.029 0.000 0.991 464 E CA 1.479 57.898 56.400 0.032 0.000 0.799 464 E CB 0.271 29.983 29.700 0.020 0.000 0.748 464 E HN 0.617 nan 8.360 nan 0.000 0.449 465 E N -0.541 119.672 120.200 0.021 0.000 2.292 465 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 465 E C -1.411 175.191 176.600 0.002 0.000 0.881 465 E CA -0.365 56.041 56.400 0.010 0.000 0.754 465 E CB 1.789 31.489 29.700 0.000 0.000 1.201 465 E HN -0.040 nan 8.360 nan 0.000 0.425 466 S N 2.099 117.793 115.700 -0.009 0.000 2.627 466 S HA 0.431 4.900 4.470 -0.000 0.000 0.268 466 S C -2.110 172.455 174.600 -0.058 0.000 1.130 466 S CA -0.890 57.294 58.200 -0.027 0.000 0.819 466 S CB 0.891 64.092 63.200 0.001 0.000 1.100 466 S HN 0.567 nan 8.310 nan 0.000 0.465 467 K N 0.569 120.908 120.400 -0.101 0.000 2.482 467 K HA 0.873 5.192 4.320 -0.000 0.000 0.257 467 K C -0.423 176.155 176.600 -0.037 0.000 0.969 467 K CA -0.932 55.267 56.287 -0.147 0.000 0.842 467 K CB 1.801 33.995 32.500 -0.511 0.000 1.359 467 K HN 0.831 nan 8.250 nan 0.000 0.441 468 G N 0.346 109.215 108.800 0.114 0.000 2.720 468 G HA2 0.476 4.436 3.960 -0.000 0.000 0.295 468 G HA3 0.476 4.436 3.960 -0.000 0.000 0.295 468 G C -2.057 172.907 174.900 0.107 0.000 1.437 468 G CA -0.685 44.480 45.100 0.108 0.000 0.886 468 G HN 0.472 nan 8.290 nan 0.000 0.509 469 V N 0.604 120.452 119.914 -0.110 0.000 2.588 469 V HA 0.895 5.015 4.120 -0.000 0.000 0.304 469 V C 0.265 176.058 176.094 -0.502 0.000 1.042 469 V CA 0.090 62.071 62.300 -0.532 0.000 0.877 469 V CB 1.676 32.913 31.823 -0.977 0.000 0.996 469 V HN 1.349 nan 8.190 nan 0.000 0.425 470 G N 6.758 115.226 108.800 -0.553 0.000 2.422 470 G HA2 0.652 4.612 3.960 -0.000 0.000 0.317 470 G HA3 0.652 4.612 3.960 -0.000 0.000 0.317 470 G C -1.159 173.404 174.900 -0.563 0.000 1.210 470 G CA -0.588 44.225 45.100 -0.478 0.000 0.930 470 G HN 0.767 nan 8.290 nan 0.000 0.468 471 L N 1.399 122.266 121.223 -0.593 0.000 2.334 471 L HA 0.886 5.225 4.340 -0.000 0.000 0.273 471 L C 0.302 176.867 176.870 -0.509 0.000 1.013 471 L CA -0.880 53.618 54.840 -0.570 0.000 0.816 471 L CB 2.166 43.793 42.059 -0.721 0.000 1.278 471 L HN 0.649 nan 8.230 nan 0.000 0.431 472 A N 1.133 123.859 122.820 -0.157 0.000 2.604 472 A HA 0.540 4.860 4.320 -0.000 0.000 0.295 472 A C -1.817 175.835 177.584 0.114 0.000 1.067 472 A CA -0.588 51.387 52.037 -0.104 0.000 0.683 472 A CB 1.628 20.503 19.000 -0.207 0.000 1.281 472 A HN 0.678 nan 8.150 nan 0.000 0.407 473 D N 1.494 121.958 120.400 0.105 0.000 2.467 473 D HA 0.561 5.201 4.640 -0.000 0.000 0.220 473 D C 0.605 176.996 176.300 0.151 0.000 1.103 473 D CA 0.534 54.602 54.000 0.114 0.000 0.886 473 D CB 1.210 42.104 40.800 0.156 0.000 1.025 473 D HN 0.852 nan 8.370 nan 0.000 0.514 474 A N 3.782 126.646 122.820 0.073 0.000 2.310 474 A HA 0.316 4.636 4.320 -0.000 0.000 0.260 474 A C -1.228 176.324 177.584 -0.053 0.000 1.112 474 A CA -0.872 51.195 52.037 0.049 0.000 0.804 474 A CB 0.132 19.110 19.000 -0.037 0.000 1.081 474 A HN 0.381 nan 8.150 nan 0.000 0.499 475 P HA -0.132 nan 4.420 nan 0.000 0.218 475 P C 1.000 178.268 177.300 -0.053 0.000 1.146 475 P CA 1.496 64.317 63.100 -0.464 0.000 0.813 475 P CB 0.084 31.574 31.700 -0.350 0.000 0.778 476 R N -2.030 118.471 120.500 0.002 0.000 2.312 476 R HA 0.400 4.740 4.340 -0.000 0.000 0.205 476 R C 1.075 177.415 176.300 0.067 0.000 0.904 476 R CA 0.466 56.600 56.100 0.058 0.000 1.052 476 R CB 0.377 30.730 30.300 0.089 0.000 1.014 476 R HN 0.204 nan 8.270 nan 0.000 0.503 477 G N 0.171 108.993 108.800 0.037 0.000 2.280 477 G HA2 0.041 4.001 3.960 -0.000 0.000 0.277 477 G HA3 0.041 4.001 3.960 -0.000 0.000 0.277 477 G C -1.379 173.477 174.900 -0.073 0.000 1.288 477 G CA -0.632 44.464 45.100 -0.007 0.000 1.075 477 G HN 0.176 nan 8.290 nan 0.000 0.480 478 A N -0.262 122.383 122.820 -0.290 0.000 2.505 478 A HA 0.540 4.860 4.320 -0.000 0.000 0.271 478 A C 0.026 177.512 177.584 -0.165 0.000 1.112 478 A CA 0.745 52.402 52.037 -0.634 0.000 0.781 478 A CB 0.144 18.157 19.000 -1.645 0.000 1.059 478 A HN 2.017 nan 8.150 nan 0.000 0.508 479 L N 3.670 124.999 121.223 0.176 0.000 2.329 479 L HA 0.756 5.095 4.340 -0.000 0.000 0.279 479 L C 0.059 177.199 176.870 0.450 0.000 1.014 479 L CA 0.235 55.264 54.840 0.314 0.000 0.814 479 L CB 1.984 44.095 42.059 0.087 0.000 1.257 479 L HN 0.683 nan 8.230 nan 0.000 0.424 480 S N 2.538 118.505 115.700 0.446 0.000 2.575 480 S HA 0.607 5.076 4.470 -0.000 0.000 0.278 480 S C -0.975 173.734 174.600 0.182 0.000 1.139 480 S CA -0.750 57.522 58.200 0.121 0.000 0.954 480 S CB 0.937 64.213 63.200 0.127 0.000 1.054 480 S HN 0.763 nan 8.310 nan 0.000 0.483 481 H N 0.853 119.682 119.070 -0.402 0.000 2.495 481 H HA 0.468 5.024 4.556 -0.001 0.000 0.348 481 H C -1.527 173.378 175.328 -0.705 0.000 1.113 481 H CA -0.718 55.136 56.048 -0.322 0.000 1.195 481 H CB 1.308 30.983 29.762 -0.146 0.000 1.521 481 H HN 0.634 nan 8.280 nan 0.000 0.509 482 W N 4.044 125.071 121.300 -0.455 0.000 2.715 482 W HA 0.464 5.123 4.660 -0.000 0.000 0.331 482 W C -0.754 175.484 176.519 -0.468 0.000 1.031 482 W CA -0.538 56.576 57.345 -0.385 0.000 1.237 482 W CB 1.152 30.370 29.460 -0.404 0.000 1.378 482 W HN 0.319 nan 8.180 nan 0.000 0.454 483 I N 3.467 124.004 120.570 -0.056 0.000 2.509 483 I HA 0.542 4.712 4.170 -0.000 0.000 0.293 483 I C -0.420 175.768 176.117 0.119 0.000 1.020 483 I CA -1.217 60.028 61.300 -0.091 0.000 1.088 483 I CB 1.227 39.161 38.000 -0.111 0.000 1.267 483 I HN 0.402 nan 8.210 nan 0.000 0.430 484 R N 7.594 128.155 120.500 0.103 0.000 2.387 484 R HA 0.597 4.937 4.340 -0.000 0.000 0.314 484 R C -1.154 175.181 176.300 0.059 0.000 0.958 484 R CA -0.682 55.446 56.100 0.048 0.000 0.846 484 R CB 1.835 32.162 30.300 0.045 0.000 1.147 484 R HN 0.557 nan 8.270 nan 0.000 0.447 485 I N 2.913 123.504 120.570 0.035 0.000 2.354 485 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 485 I C -0.187 175.949 176.117 0.031 0.000 0.989 485 I CA -0.457 60.872 61.300 0.048 0.000 1.188 485 I CB 1.543 39.575 38.000 0.054 0.000 1.342 485 I HN 0.352 nan 8.210 nan 0.000 0.457 486 K N 4.465 124.886 120.400 0.035 0.000 2.482 486 K HA 0.498 4.818 4.320 -0.000 0.000 0.251 486 K C 0.345 176.962 176.600 0.028 0.000 0.936 486 K CA -0.388 55.914 56.287 0.025 0.000 0.791 486 K CB 1.875 34.387 32.500 0.020 0.000 1.213 486 K HN 0.773 nan 8.250 nan 0.000 0.428 487 G N 3.851 112.666 108.800 0.025 0.000 2.305 487 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.287 487 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.287 487 G C 0.073 174.993 174.900 0.033 0.000 1.036 487 G CA 0.964 46.079 45.100 0.025 0.000 0.887 487 G HN 0.892 nan 8.290 nan 0.000 0.505 488 K N -2.570 117.856 120.400 0.043 0.000 3.274 488 K HA -0.208 4.112 4.320 -0.000 0.000 0.300 488 K C 0.750 177.387 176.600 0.063 0.000 1.230 488 K CA 1.878 58.200 56.287 0.059 0.000 0.884 488 K CB -0.578 31.956 32.500 0.056 0.000 1.242 488 K HN 0.524 nan 8.250 nan 0.000 0.467 489 K N 0.353 120.784 120.400 0.051 0.000 2.350 489 K HA 0.450 4.769 4.320 -0.000 0.000 0.241 489 K C 0.227 176.860 176.600 0.055 0.000 0.994 489 K CA -0.884 55.430 56.287 0.046 0.000 0.839 489 K CB 1.108 33.626 32.500 0.030 0.000 1.244 489 K HN 0.007 nan 8.250 nan 0.000 0.443 490 I N 2.025 122.627 120.570 0.054 0.000 2.581 490 I HA -0.115 4.055 4.170 -0.000 0.000 0.285 490 I C 1.079 177.239 176.117 0.071 0.000 1.129 490 I CA 0.524 61.875 61.300 0.086 0.000 1.397 490 I CB 0.271 38.312 38.000 0.069 0.000 1.399 490 I HN 0.616 nan 8.210 nan 0.000 0.537 491 D N 4.686 125.135 120.400 0.082 0.000 2.323 491 D HA 0.006 4.646 4.640 -0.000 0.000 0.218 491 D C 0.256 176.605 176.300 0.081 0.000 0.973 491 D CA 0.750 54.788 54.000 0.064 0.000 0.890 491 D CB 0.459 41.288 40.800 0.047 0.000 1.011 491 D HN 0.450 nan 8.370 nan 0.000 0.499 492 N N -0.885 117.884 118.700 0.114 0.000 2.308 492 N HA 0.300 5.040 4.740 -0.000 0.000 0.283 492 N C -2.148 173.485 175.510 0.206 0.000 1.105 492 N CA -0.595 52.538 53.050 0.138 0.000 0.840 492 N CB 1.127 39.681 38.487 0.112 0.000 1.633 492 N HN -0.060 nan 8.380 nan 0.000 0.476 493 F N 2.107 122.092 119.950 0.059 0.000 2.617 493 F HA 0.452 4.979 4.527 -0.000 0.000 0.325 493 F C -1.109 174.717 175.800 0.044 0.000 1.179 493 F CA -0.389 57.645 58.000 0.057 0.000 0.965 493 F CB 1.331 40.329 39.000 -0.003 0.000 1.232 493 F HN 0.253 nan 8.300 nan 0.000 0.461 494 Q N 5.946 125.785 119.800 0.066 0.000 2.340 494 Q HA 0.482 4.822 4.340 -0.000 0.000 0.268 494 Q C -1.498 174.557 176.000 0.090 0.000 1.031 494 Q CA -1.020 54.846 55.803 0.106 0.000 0.804 494 Q CB 3.009 31.754 28.738 0.012 0.000 1.286 494 Q HN 0.556 nan 8.270 nan 0.000 0.448 495 L N 1.861 123.087 121.223 0.006 0.000 2.295 495 L HA 0.486 4.826 4.340 -0.000 0.000 0.285 495 L C -0.285 176.598 176.870 0.022 0.000 1.035 495 L CA -0.573 54.172 54.840 -0.159 0.000 0.806 495 L CB 1.640 43.286 42.059 -0.688 0.000 1.214 495 L HN 0.272 nan 8.230 nan 0.000 0.426 496 V N 4.271 124.324 119.914 0.232 0.000 2.376 496 V HA 0.566 4.686 4.120 -0.000 0.000 0.287 496 V C -0.217 176.097 176.094 0.367 0.000 1.015 496 V CA -0.653 61.800 62.300 0.254 0.000 0.834 496 V CB 1.793 33.793 31.823 0.295 0.000 1.001 496 V HN 0.459 nan 8.190 nan 0.000 0.428 497 V N 6.884 126.988 119.914 0.315 0.000 2.667 497 V HA 0.400 4.520 4.120 -0.000 0.000 0.308 497 V C -1.510 174.833 176.094 0.415 0.000 1.048 497 V CA -1.739 60.782 62.300 0.369 0.000 0.928 497 V CB 2.216 34.261 31.823 0.370 0.000 1.004 497 V HN 0.565 nan 8.190 nan 0.000 0.444 498 P HA -0.128 nan 4.420 nan 0.000 0.215 498 P C 1.643 179.139 177.300 0.327 0.000 1.157 498 P CA 1.464 64.768 63.100 0.341 0.000 0.874 498 P CB 0.199 32.007 31.700 0.178 0.000 0.790 499 S N -1.132 114.725 115.700 0.262 0.000 2.442 499 S HA -0.099 4.370 4.470 -0.000 0.000 0.236 499 S C 1.779 176.492 174.600 0.188 0.000 1.007 499 S CA 1.665 59.994 58.200 0.215 0.000 0.965 499 S CB -1.219 62.103 63.200 0.202 0.000 0.773 499 S HN 0.329 nan 8.310 nan 0.000 0.504 500 T N 0.545 115.220 114.554 0.200 0.000 2.777 500 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 500 T C 1.333 176.038 174.700 0.008 0.000 1.040 500 T CA 1.087 63.240 62.100 0.089 0.000 1.141 500 T CB -0.412 68.486 68.868 0.050 0.000 0.868 500 T HN 0.543 nan 8.240 nan 0.000 0.444 501 W N 2.015 123.351 121.300 0.060 0.000 2.335 501 W HA -0.067 4.593 4.660 -0.001 0.000 0.311 501 W C 2.501 179.012 176.519 -0.014 0.000 1.213 501 W CA 0.626 57.981 57.345 0.016 0.000 1.274 501 W CB -0.459 29.007 29.460 0.009 0.000 1.148 501 W HN 0.173 nan 8.180 nan 0.000 0.498 502 N N -0.476 118.362 118.700 0.231 0.000 2.207 502 N HA -0.023 4.717 4.740 -0.000 0.000 0.182 502 N C 1.226 176.640 175.510 -0.159 0.000 1.020 502 N CA 1.154 54.223 53.050 0.032 0.000 0.858 502 N CB -0.489 38.057 38.487 0.099 0.000 0.991 502 N HN 0.111 nan 8.380 nan 0.000 0.427 503 L N -0.284 120.906 121.223 -0.054 0.000 2.959 503 L HA 0.386 4.726 4.340 -0.000 0.000 0.259 503 L C 1.087 177.963 176.870 0.009 0.000 1.185 503 L CA -0.317 54.486 54.840 -0.062 0.000 0.998 503 L CB 0.685 42.741 42.059 -0.005 0.000 1.337 503 L HN -0.067 nan 8.230 nan 0.000 0.555 504 G N 0.655 109.457 108.800 0.003 0.000 2.684 504 G HA2 0.327 4.287 3.960 -0.000 0.000 0.255 504 G HA3 0.327 4.287 3.960 -0.000 0.000 0.255 504 G C -2.376 172.510 174.900 -0.024 0.000 1.219 504 G CA -0.553 44.542 45.100 -0.008 0.000 0.901 504 G HN -0.085 nan 8.290 nan 0.000 0.548 505 P HA 0.257 nan 4.420 nan 0.000 0.312 505 P C -0.152 177.108 177.300 -0.067 0.000 1.308 505 P CA -0.779 62.245 63.100 -0.127 0.000 0.743 505 P CB 0.906 32.240 31.700 -0.610 0.000 1.364 506 R N -0.995 119.468 120.500 -0.061 0.000 2.734 506 R HA 0.393 4.733 4.340 -0.000 0.000 0.266 506 R C 1.156 177.455 176.300 -0.002 0.000 1.044 506 R CA 0.264 56.284 56.100 -0.133 0.000 1.128 506 R CB -0.496 29.523 30.300 -0.467 0.000 1.010 506 R HN 0.565 nan 8.270 nan 0.000 0.461 507 G N -0.122 108.693 108.800 0.026 0.000 2.563 507 G HA2 0.316 4.276 3.960 -0.000 0.000 0.283 507 G HA3 0.316 4.276 3.960 -0.000 0.000 0.283 507 G C 0.671 175.700 174.900 0.214 0.000 1.309 507 G CA -0.045 45.118 45.100 0.105 0.000 1.022 507 G HN 0.650 nan 8.290 nan 0.000 0.501 508 A N -1.241 121.688 122.820 0.181 0.000 2.070 508 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 508 A C 2.046 179.728 177.584 0.164 0.000 1.159 508 A CA 1.424 53.554 52.037 0.155 0.000 0.656 508 A CB -0.164 18.890 19.000 0.090 0.000 0.800 508 A HN 0.404 nan 8.150 nan 0.000 0.453 509 Q N -1.381 118.505 119.800 0.143 0.000 2.360 509 Q HA 0.213 4.552 4.340 -0.000 0.000 0.202 509 Q C 1.161 177.220 176.000 0.100 0.000 0.915 509 Q CA 0.629 56.496 55.803 0.106 0.000 0.943 509 Q CB -0.143 28.639 28.738 0.073 0.000 1.064 509 Q HN 0.948 nan 8.270 nan 0.000 0.511 510 G N 2.437 111.318 108.800 0.135 0.000 2.143 510 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 510 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 510 G C -0.396 174.421 174.900 -0.138 0.000 0.991 510 G CA 0.326 45.389 45.100 -0.061 0.000 0.689 510 G HN 0.477 nan 8.290 nan 0.000 0.522 511 D N 0.529 120.890 120.400 -0.065 0.000 2.351 511 D HA 0.408 5.047 4.640 -0.000 0.000 0.251 511 D C 0.543 176.780 176.300 -0.104 0.000 1.137 511 D CA -0.257 53.701 54.000 -0.070 0.000 0.879 511 D CB 1.006 41.795 40.800 -0.018 0.000 1.181 511 D HN 0.333 nan 8.370 nan 0.000 0.448 512 K N 1.113 121.435 120.400 -0.131 0.000 2.414 512 K HA 0.150 4.470 4.320 -0.000 0.000 0.272 512 K C 0.778 177.323 176.600 -0.091 0.000 0.993 512 K CA -0.322 55.877 56.287 -0.147 0.000 0.964 512 K CB 0.468 32.860 32.500 -0.181 0.000 0.925 512 K HN 0.681 nan 8.250 nan 0.000 0.487 513 S N 2.062 117.711 115.700 -0.084 0.000 2.608 513 S HA 0.118 4.588 4.470 -0.000 0.000 0.261 513 S C -1.880 172.673 174.600 -0.078 0.000 1.314 513 S CA -1.236 56.926 58.200 -0.062 0.000 0.992 513 S CB 0.768 63.932 63.200 -0.061 0.000 0.935 513 S HN 0.335 nan 8.310 nan 0.000 0.564 514 P HA -0.105 nan 4.420 nan 0.000 0.215 514 P C 1.711 178.912 177.300 -0.166 0.000 1.157 514 P CA 0.684 63.754 63.100 -0.051 0.000 0.874 514 P CB -0.143 31.571 31.700 0.023 0.000 0.790 515 V N 0.063 119.673 119.914 -0.507 0.000 2.358 515 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 515 V C 2.084 178.098 176.094 -0.133 0.000 1.047 515 V CA 2.013 63.998 62.300 -0.524 0.000 1.035 515 V CB -0.922 30.547 31.823 -0.589 0.000 0.658 515 V HN 0.087 nan 8.190 nan 0.000 0.452 516 E N -0.453 119.669 120.200 -0.130 0.000 2.077 516 E HA -0.267 4.082 4.350 -0.000 0.000 0.193 516 E C 2.244 178.782 176.600 -0.103 0.000 0.989 516 E CA 1.549 57.875 56.400 -0.124 0.000 0.800 516 E CB -0.182 29.411 29.700 -0.178 0.000 0.746 516 E HN 0.697 nan 8.360 nan 0.000 0.452 517 E N 0.478 120.634 120.200 -0.073 0.000 2.051 517 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 517 E C 2.107 178.724 176.600 0.029 0.000 0.991 517 E CA 0.928 57.306 56.400 -0.036 0.000 0.799 517 E CB -0.068 29.619 29.700 -0.021 0.000 0.748 517 E HN 0.219 nan 8.360 nan 0.000 0.449 518 A N 0.975 123.863 122.820 0.114 0.000 1.940 518 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 518 A C 2.165 179.843 177.584 0.157 0.000 1.176 518 A CA 1.162 53.328 52.037 0.215 0.000 0.631 518 A CB -0.632 18.655 19.000 0.479 0.000 0.814 518 A HN 0.288 nan 8.150 nan 0.000 0.446 519 L N 0.228 121.517 121.223 0.111 0.000 2.291 519 L HA -0.022 4.317 4.340 -0.000 0.000 0.214 519 L C 0.082 176.973 176.870 0.034 0.000 1.120 519 L CA -0.214 54.678 54.840 0.086 0.000 0.799 519 L CB -0.356 41.741 42.059 0.063 0.000 0.925 519 L HN 0.271 nan 8.230 nan 0.000 0.446 520 I N 1.043 121.612 120.570 -0.002 0.000 2.668 520 I HA 0.042 4.212 4.170 -0.000 0.000 0.285 520 I C 1.469 177.578 176.117 -0.012 0.000 1.168 520 I CA 0.965 62.250 61.300 -0.026 0.000 1.424 520 I CB -0.449 37.519 38.000 -0.054 0.000 1.377 520 I HN 0.364 nan 8.210 nan 0.000 0.560 521 G N 4.449 113.239 108.800 -0.015 0.000 2.157 521 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 521 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 521 G C 0.441 175.316 174.900 -0.042 0.000 0.979 521 G CA 0.073 45.158 45.100 -0.025 0.000 0.650 521 G HN 0.599 nan 8.290 nan 0.000 0.529 522 T N 4.151 118.694 114.554 -0.018 0.000 2.817 522 T HA 0.453 4.803 4.350 -0.000 0.000 0.295 522 T C -1.726 172.974 174.700 -0.000 0.000 0.958 522 T CA -0.045 62.039 62.100 -0.026 0.000 1.157 522 T CB 1.711 70.616 68.868 0.062 0.000 0.898 522 T HN 0.316 nan 8.240 nan 0.000 0.536 523 P HA 0.318 nan 4.420 nan 0.000 0.278 523 P C -0.799 176.559 177.300 0.095 0.000 1.238 523 P CA -0.494 62.624 63.100 0.029 0.000 0.794 523 P CB 0.810 32.514 31.700 0.007 0.000 0.955 524 I N 2.258 122.895 120.570 0.111 0.000 2.437 524 I HA 0.182 4.351 4.170 -0.000 0.000 0.279 524 I C 1.399 177.585 176.117 0.115 0.000 1.028 524 I CA -0.765 60.606 61.300 0.119 0.000 1.142 524 I CB 0.800 38.865 38.000 0.108 0.000 1.266 524 I HN 0.381 nan 8.210 nan 0.000 0.461 525 A N 4.623 127.534 122.820 0.151 0.000 1.898 525 A HA -0.091 4.228 4.320 -0.000 0.000 0.216 525 A C 0.656 178.262 177.584 0.037 0.000 1.181 525 A CA 1.401 53.520 52.037 0.137 0.000 0.620 525 A CB -0.071 19.074 19.000 0.241 0.000 0.819 525 A HN 0.675 nan 8.150 nan 0.000 0.442 526 D N -2.901 117.496 120.400 -0.006 0.000 2.736 526 D HA 0.421 5.060 4.640 -0.000 0.000 0.243 526 D C -2.428 173.768 176.300 -0.174 0.000 1.304 526 D CA -1.961 51.965 54.000 -0.122 0.000 0.934 526 D CB 1.738 42.397 40.800 -0.235 0.000 1.382 526 D HN -0.157 nan 8.370 nan 0.000 0.571 527 P HA -0.076 nan 4.420 nan 0.000 0.217 527 P C 0.778 177.855 177.300 -0.372 0.000 1.150 527 P CA 1.104 63.907 63.100 -0.496 0.000 0.832 527 P CB 0.323 31.366 31.700 -1.095 0.000 0.787 528 K N -0.869 119.351 120.400 -0.300 0.000 2.366 528 K HA 0.051 4.371 4.320 -0.000 0.000 0.198 528 K C 0.748 177.164 176.600 -0.308 0.000 1.044 528 K CA 0.606 56.753 56.287 -0.233 0.000 0.973 528 K CB 0.125 32.529 32.500 -0.161 0.000 0.767 528 K HN 0.133 nan 8.250 nan 0.000 0.475 529 R N 1.333 121.595 120.500 -0.396 0.000 2.738 529 R HA 0.139 4.479 4.340 -0.000 0.000 0.280 529 R C -2.605 173.310 176.300 -0.641 0.000 1.456 529 R CA -1.232 54.377 56.100 -0.819 0.000 1.612 529 R CB 1.005 31.057 30.300 -0.414 0.000 1.286 529 R HN -0.054 nan 8.270 nan 0.000 0.660 530 P HA -0.016 nan 4.420 nan 0.000 0.237 530 P C 0.966 178.269 177.300 0.006 0.000 1.788 530 P CA 0.138 63.159 63.100 -0.131 0.000 1.061 530 P CB 0.764 32.428 31.700 -0.060 0.000 1.967 531 V N 2.756 122.685 119.914 0.026 0.000 2.490 531 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 531 V C 1.942 177.973 176.094 -0.105 0.000 1.061 531 V CA 2.086 64.416 62.300 0.049 0.000 1.064 531 V CB -0.646 31.091 31.823 -0.142 0.000 0.670 531 V HN 0.194 nan 8.190 nan 0.000 0.461 532 E N 0.427 120.627 120.200 0.000 0.000 2.130 532 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 532 E C 1.959 178.686 176.600 0.212 0.000 0.998 532 E CA 2.075 58.600 56.400 0.208 0.000 0.806 532 E CB -0.381 29.559 29.700 0.400 0.000 0.738 532 E HN 0.677 nan 8.360 nan 0.000 0.459 533 I N 0.394 121.041 120.570 0.128 0.000 2.226 533 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 533 I C 2.150 178.285 176.117 0.031 0.000 1.100 533 I CA 1.025 62.390 61.300 0.108 0.000 1.374 533 I CB -0.230 37.825 38.000 0.093 0.000 1.057 533 I HN 0.124 nan 8.210 nan 0.000 0.413 534 L N -0.003 121.189 121.223 -0.052 0.000 2.046 534 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 534 L C 2.771 179.508 176.870 -0.221 0.000 1.077 534 L CA 1.325 56.013 54.840 -0.254 0.000 0.747 534 L CB -0.596 41.359 42.059 -0.173 0.000 0.896 534 L HN 0.183 nan 8.230 nan 0.000 0.432 535 R N -0.598 119.759 120.500 -0.239 0.000 2.094 535 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 535 R C 2.339 178.707 176.300 0.114 0.000 1.137 535 R CA 2.195 58.098 56.100 -0.330 0.000 0.943 535 R CB -0.590 28.988 30.300 -1.202 0.000 0.850 535 R HN 0.300 nan 8.270 nan 0.000 0.433 536 T N 0.353 115.036 114.554 0.215 0.000 2.701 536 T HA -0.089 4.260 4.350 -0.000 0.000 0.263 536 T C 1.942 176.854 174.700 0.353 0.000 1.040 536 T CA 1.366 63.679 62.100 0.356 0.000 1.147 536 T CB -0.142 68.968 68.868 0.404 0.000 0.865 536 T HN -0.012 nan 8.240 nan 0.000 0.426 537 V N 1.082 121.133 119.914 0.227 0.000 2.287 537 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 537 V C 2.149 178.390 176.094 0.246 0.000 1.053 537 V CA 1.840 64.268 62.300 0.213 0.000 1.027 537 V CB -0.755 31.093 31.823 0.041 0.000 0.646 537 V HN 0.664 nan 8.190 nan 0.000 0.447 538 H N -0.310 118.840 119.070 0.134 0.000 2.456 538 H HA -0.054 4.501 4.556 -0.000 0.000 0.296 538 H C 2.262 177.511 175.328 -0.131 0.000 1.079 538 H CA 0.922 56.973 56.048 0.005 0.000 1.322 538 H CB -0.049 29.636 29.762 -0.128 0.000 1.388 538 H HN 0.477 nan 8.280 nan 0.000 0.538 539 A N 0.548 123.389 122.820 0.034 0.000 2.019 539 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 539 A C 1.567 179.108 177.584 -0.072 0.000 1.164 539 A CA 1.032 53.072 52.037 0.005 0.000 0.644 539 A CB -0.658 18.437 19.000 0.159 0.000 0.805 539 A HN 0.324 nan 8.150 nan 0.000 0.449 540 F N -0.307 119.685 119.950 0.070 0.000 2.748 540 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 540 F C 0.760 176.549 175.800 -0.019 0.000 1.154 540 F CA 0.668 58.698 58.000 0.051 0.000 1.446 540 F CB -0.106 38.950 39.000 0.093 0.000 1.112 540 F HN 0.278 nan 8.300 nan 0.000 0.584 541 D N 0.330 120.768 120.400 0.063 0.000 2.812 541 D HA -0.155 4.485 4.640 -0.000 0.000 0.237 541 D C -2.573 173.797 176.300 0.117 0.000 1.162 541 D CA -0.127 53.803 54.000 -0.116 0.000 0.740 541 D CB -0.450 40.048 40.800 -0.504 0.000 1.000 541 D HN 0.091 nan 8.370 nan 0.000 0.416 542 P HA 0.170 nan 4.420 nan 0.000 0.269 542 P C -0.277 177.130 177.300 0.178 0.000 1.209 542 P CA -0.446 62.771 63.100 0.196 0.000 0.776 542 P CB 0.968 32.786 31.700 0.196 0.000 0.876 543 C N 4.369 123.772 119.300 0.172 0.000 2.547 543 C HA 0.267 4.727 4.460 -0.000 0.000 0.327 543 C C 1.585 176.681 174.990 0.177 0.000 1.076 543 C CA -0.313 58.806 59.018 0.169 0.000 1.390 543 C CB -0.394 27.456 27.740 0.183 0.000 1.918 543 C HN 0.535 nan 8.230 nan 0.000 0.438 544 I N 1.964 122.627 120.570 0.155 0.000 2.584 544 I HA -0.020 4.149 4.170 -0.000 0.000 0.255 544 I C 2.493 178.714 176.117 0.173 0.000 1.145 544 I CA 1.273 62.677 61.300 0.173 0.000 1.462 544 I CB -1.477 36.630 38.000 0.178 0.000 1.102 544 I HN 0.703 nan 8.210 nan 0.000 0.433 545 A N 0.304 123.211 122.820 0.146 0.000 1.877 545 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 545 A C 2.620 180.309 177.584 0.175 0.000 1.186 545 A CA 1.854 53.971 52.037 0.132 0.000 0.620 545 A CB -1.221 17.846 19.000 0.113 0.000 0.822 545 A HN 0.463 nan 8.150 nan 0.000 0.443 546 C N -1.116 118.320 119.300 0.227 0.000 2.413 546 C HA -0.030 4.430 4.460 -0.000 0.000 0.277 546 C C 3.056 178.283 174.990 0.395 0.000 1.228 546 C CA 0.952 60.161 59.018 0.319 0.000 1.731 546 C CB -1.574 26.376 27.740 0.350 0.000 2.042 546 C HN 0.705 nan 8.230 nan 0.000 0.468 547 G N -0.483 108.499 108.800 0.303 0.000 2.418 547 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 547 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 547 G C 1.586 176.614 174.900 0.214 0.000 1.158 547 G CA 1.549 46.816 45.100 0.279 0.000 0.771 547 G HN 0.438 nan 8.290 nan 0.000 0.545 548 V N 1.387 121.372 119.914 0.118 0.000 2.575 548 V HA 0.116 4.236 4.120 -0.000 0.000 0.242 548 V C 1.162 176.911 176.094 -0.575 0.000 1.045 548 V CA 0.796 63.047 62.300 -0.081 0.000 1.065 548 V CB -0.769 31.142 31.823 0.146 0.000 0.717 548 V HN 0.778 nan 8.190 nan 0.000 0.467 549 H N 0.000 119.079 119.070 0.015 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 549 H CA 0.000 55.987 56.048 -0.102 0.000 1.023 549 H CB 0.000 29.707 29.762 -0.092 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496