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 2cxn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAALTRNPQF QKLLEWHRAN SANLKLRELF EADPERFNNF SLNLNTNHGH DATA SEQUENCE ILVDYSKNLV SKEVMQMLVE LAKSRGVEAA RDNMFSGSKI NYTEDRAVLH DATA SEQUENCE VALRNRSNTP IKVDGKDVMP EVNRVLDKMK SFCQRVRSGD WKGYTGKSIT DATA SEQUENCE DIINIGIGGS DLGPLMVTEA LKPYSKGGPR VWFVSNIDGT HIAKTLASLS DATA SEQUENCE PETSLFIIAS KTFTTQETIT NAETAKEWFL EAAKDPSAVA KHFVALSTNT DATA SEQUENCE AKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DHFEQLLSGA DATA SEQUENCE HWMDQHFLKT PLEKNAPVLL ALLGIWYINC YGCETHALLP YDQYMHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGAR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMKGK LPEEARKELQ DATA SEQUENCE AAGKSPEDLE KLLPHKVFEG NRPTNSIVFT KLTPFILGAL IAMYEHKIFV DATA SEQUENCE QGIMWDINSF DQWGVELGKQ LAKKIEPELE GSSAVTSHDS STNGLISFIK DATA SEQUENCE QQRDTKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.058 0.000 1.140 1 M CA 0.000 55.333 55.300 0.055 0.000 0.988 1 M CB 0.000 32.644 32.600 0.073 0.000 1.302 2 A N -0.071 122.804 122.820 0.092 0.000 2.313 2 A HA 0.912 5.285 4.320 0.089 0.000 0.323 2 A C 0.842 178.482 177.584 0.094 0.000 1.133 2 A CA 0.050 52.151 52.037 0.107 0.000 0.847 2 A CB 1.157 20.265 19.000 0.181 0.000 1.308 2 A HN 1.100 nan 8.150 nan 0.000 0.475 3 A N -0.167 122.700 122.820 0.080 0.000 1.892 3 A HA -0.097 4.276 4.320 0.089 0.000 0.218 3 A C 1.964 179.544 177.584 -0.006 0.000 1.188 3 A CA 2.139 54.199 52.037 0.038 0.000 0.631 3 A CB -0.829 18.190 19.000 0.033 0.000 0.822 3 A HN 1.329 nan 8.150 nan 0.000 0.447 4 L N 0.373 121.549 121.223 -0.079 0.000 2.017 4 L HA -0.133 4.260 4.340 0.089 0.000 0.208 4 L C 2.725 179.428 176.870 -0.277 0.000 1.073 4 L CA 3.045 57.698 54.840 -0.311 0.000 0.745 4 L CB -0.982 40.670 42.059 -0.679 0.000 0.894 4 L HN 0.559 nan 8.230 nan 0.000 0.432 5 T N -3.411 111.062 114.554 -0.135 0.000 2.951 5 T HA -0.139 4.264 4.350 0.089 0.000 0.268 5 T C 1.995 176.805 174.700 0.184 0.000 1.073 5 T CA 1.013 63.189 62.100 0.127 0.000 1.134 5 T CB -0.470 68.510 68.868 0.187 0.000 0.884 5 T HN 0.340 nan 8.240 nan 0.000 0.479 6 R N 1.295 121.860 120.500 0.108 0.000 2.236 6 R HA 0.155 4.548 4.340 0.089 0.000 0.208 6 R C 0.975 177.334 176.300 0.098 0.000 1.036 6 R CA 0.024 56.181 56.100 0.095 0.000 1.001 6 R CB -0.123 30.215 30.300 0.064 0.000 0.896 6 R HN 0.383 nan 8.270 nan 0.000 0.464 7 N N 1.790 120.557 118.700 0.112 0.000 2.475 7 N HA -0.006 4.787 4.740 0.089 0.000 0.267 7 N C -1.791 173.807 175.510 0.147 0.000 1.169 7 N CA -1.274 51.842 53.050 0.110 0.000 0.947 7 N CB 1.425 39.968 38.487 0.092 0.000 1.061 7 N HN -0.078 nan 8.380 nan 0.000 0.466 8 P HA -0.091 nan 4.420 nan 0.000 0.219 8 P C 0.661 178.009 177.300 0.080 0.000 1.150 8 P CA 1.167 64.316 63.100 0.080 0.000 0.814 8 P CB 0.545 32.276 31.700 0.052 0.000 0.787 9 Q N -1.230 118.622 119.800 0.086 0.000 2.167 9 Q HA -0.070 4.324 4.340 0.089 0.000 0.202 9 Q C 1.934 178.003 176.000 0.115 0.000 0.970 9 Q CA 1.099 56.947 55.803 0.075 0.000 0.855 9 Q CB -1.174 27.599 28.738 0.057 0.000 0.911 9 Q HN 0.226 nan 8.270 nan 0.000 0.438 10 F N 0.820 120.785 119.950 0.024 0.000 2.146 10 F HA -0.169 4.413 4.527 0.091 0.000 0.298 10 F C 1.906 177.743 175.800 0.063 0.000 1.096 10 F CA 1.270 59.293 58.000 0.039 0.000 1.275 10 F CB 0.012 39.023 39.000 0.019 0.000 1.008 10 F HN 0.006 nan 8.300 nan 0.000 0.480 11 Q N 0.837 120.619 119.800 -0.029 0.000 2.124 11 Q HA -0.223 4.170 4.340 0.089 0.000 0.202 11 Q C 2.305 178.251 176.000 -0.091 0.000 0.977 11 Q CA 1.525 57.263 55.803 -0.110 0.000 0.850 11 Q CB -0.608 28.148 28.738 0.030 0.000 0.901 11 Q HN 0.499 nan 8.270 nan 0.000 0.429 12 K N 0.530 120.918 120.400 -0.020 0.000 2.057 12 K HA -0.159 4.214 4.320 0.089 0.000 0.207 12 K C 2.136 178.772 176.600 0.060 0.000 1.049 12 K CA 0.840 57.145 56.287 0.030 0.000 0.931 12 K CB -0.134 32.390 32.500 0.040 0.000 0.714 12 K HN 0.109 nan 8.250 nan 0.000 0.440 13 L N 1.320 122.542 121.223 -0.001 0.000 2.017 13 L HA -0.162 4.232 4.340 0.089 0.000 0.208 13 L C 2.227 179.173 176.870 0.126 0.000 1.073 13 L CA 1.271 56.152 54.840 0.069 0.000 0.745 13 L CB -0.482 41.601 42.059 0.040 0.000 0.894 13 L HN 0.215 nan 8.230 nan 0.000 0.432 14 L N -0.584 120.532 121.223 -0.178 0.000 2.046 14 L HA -0.168 4.225 4.340 0.089 0.000 0.208 14 L C 2.517 179.399 176.870 0.020 0.000 1.077 14 L CA 1.653 56.382 54.840 -0.184 0.000 0.747 14 L CB -0.782 41.003 42.059 -0.457 0.000 0.896 14 L HN 0.306 nan 8.230 nan 0.000 0.432 15 E N -1.122 119.094 120.200 0.027 0.000 2.077 15 E HA -0.295 4.108 4.350 0.089 0.000 0.193 15 E C 1.975 178.650 176.600 0.125 0.000 0.989 15 E CA 1.446 57.882 56.400 0.060 0.000 0.800 15 E CB -0.540 29.188 29.700 0.048 0.000 0.746 15 E HN 0.655 nan 8.360 nan 0.000 0.452 16 W N 1.118 122.441 121.300 0.038 0.000 2.358 16 W HA -0.215 4.499 4.660 0.089 0.000 0.303 16 W C 2.483 179.069 176.519 0.113 0.000 1.208 16 W CA 2.091 59.480 57.345 0.074 0.000 1.274 16 W CB -0.465 29.050 29.460 0.091 0.000 1.138 16 W HN 0.273 nan 8.180 nan 0.000 0.515 17 H N 0.581 119.930 119.070 0.465 0.000 2.319 17 H HA -0.158 4.452 4.556 0.090 0.000 0.299 17 H C 2.258 177.547 175.328 -0.066 0.000 1.092 17 H CA 2.249 58.439 56.048 0.236 0.000 1.302 17 H CB -0.204 29.526 29.762 -0.052 0.000 1.373 17 H HN 0.154 nan 8.280 nan 0.000 0.497 18 R N -0.146 120.370 120.500 0.027 0.000 2.091 18 R HA -0.101 4.293 4.340 0.089 0.000 0.238 18 R C 2.483 178.684 176.300 -0.165 0.000 1.136 18 R CA 1.267 57.330 56.100 -0.062 0.000 0.959 18 R CB -0.181 30.111 30.300 -0.012 0.000 0.856 18 R HN 0.346 nan 8.270 nan 0.000 0.437 19 A N 0.293 122.987 122.820 -0.210 0.000 2.021 19 A HA -0.006 4.368 4.320 0.089 0.000 0.216 19 A C 1.434 178.783 177.584 -0.392 0.000 1.163 19 A CA 0.860 52.737 52.037 -0.267 0.000 0.676 19 A CB 0.127 18.974 19.000 -0.256 0.000 0.818 19 A HN 0.258 nan 8.150 nan 0.000 0.453 20 N N -0.982 117.355 118.700 -0.604 0.000 2.297 20 N HA -0.044 4.749 4.740 0.089 0.000 0.208 20 N C 1.735 176.963 175.510 -0.471 0.000 1.176 20 N CA 1.076 53.669 53.050 -0.761 0.000 0.882 20 N CB 0.143 37.605 38.487 -1.708 0.000 1.134 20 N HN 0.511 nan 8.380 nan 0.000 0.489 21 S N 1.368 116.843 115.700 -0.374 0.000 2.400 21 S HA -0.055 4.468 4.470 0.089 0.000 0.232 21 S C 2.101 176.678 174.600 -0.039 0.000 1.025 21 S CA 1.059 59.176 58.200 -0.139 0.000 0.993 21 S CB -0.287 62.504 63.200 -0.681 0.000 0.808 21 S HN 0.253 nan 8.310 nan 0.000 0.478 22 A N 2.156 124.905 122.820 -0.118 0.000 2.125 22 A HA -0.002 4.371 4.320 0.089 0.000 0.219 22 A C 1.827 179.411 177.584 0.000 0.000 1.156 22 A CA 1.353 53.370 52.037 -0.034 0.000 0.671 22 A CB -0.882 18.082 19.000 -0.060 0.000 0.794 22 A HN 0.767 nan 8.150 nan 0.000 0.459 23 N N -0.792 117.895 118.700 -0.021 0.000 2.398 23 N HA 0.213 5.006 4.740 0.089 0.000 0.188 23 N C -0.432 175.117 175.510 0.065 0.000 1.122 23 N CA -0.166 52.887 53.050 0.004 0.000 0.866 23 N CB 0.103 38.566 38.487 -0.040 0.000 0.970 23 N HN 0.375 nan 8.380 nan 0.000 0.462 24 L N 1.571 122.868 121.223 0.123 0.000 2.325 24 L HA 0.248 4.641 4.340 0.089 0.000 0.284 24 L C -0.209 176.747 176.870 0.145 0.000 1.089 24 L CA 0.110 55.055 54.840 0.175 0.000 0.836 24 L CB 0.536 42.775 42.059 0.298 0.000 1.184 24 L HN -0.064 nan 8.230 nan 0.000 0.444 25 K N 4.187 124.654 120.400 0.111 0.000 2.579 25 K HA 0.305 4.679 4.320 0.089 0.000 0.250 25 K C 0.533 177.196 176.600 0.105 0.000 0.952 25 K CA -0.528 55.820 56.287 0.101 0.000 0.857 25 K CB 2.168 34.716 32.500 0.080 0.000 1.123 25 K HN 0.476 nan 8.250 nan 0.000 0.433 26 L N 1.622 122.923 121.223 0.129 0.000 2.012 26 L HA -0.202 4.191 4.340 0.089 0.000 0.210 26 L C 2.525 179.551 176.870 0.260 0.000 1.073 26 L CA 1.571 56.523 54.840 0.188 0.000 0.748 26 L CB -0.259 41.925 42.059 0.208 0.000 0.891 26 L HN 0.630 nan 8.230 nan 0.000 0.431 27 R N 0.114 120.718 120.500 0.173 0.000 2.103 27 R HA -0.214 4.179 4.340 0.089 0.000 0.242 27 R C 2.174 178.565 176.300 0.153 0.000 1.142 27 R CA 1.955 58.143 56.100 0.147 0.000 0.960 27 R CB -0.127 30.221 30.300 0.080 0.000 0.858 27 R HN 0.469 nan 8.270 nan 0.000 0.439 28 E N 0.060 120.327 120.200 0.112 0.000 2.107 28 E HA -0.136 4.267 4.350 0.089 0.000 0.191 28 E C 2.098 178.740 176.600 0.071 0.000 0.982 28 E CA 0.808 57.258 56.400 0.083 0.000 0.809 28 E CB -0.004 29.733 29.700 0.062 0.000 0.756 28 E HN 0.298 nan 8.360 nan 0.000 0.459 29 L N -0.092 121.161 121.223 0.051 0.000 2.042 29 L HA -0.194 4.200 4.340 0.089 0.000 0.210 29 L C 2.192 178.999 176.870 -0.104 0.000 1.076 29 L CA 1.238 56.043 54.840 -0.058 0.000 0.749 29 L CB -0.351 41.613 42.059 -0.158 0.000 0.893 29 L HN 0.130 nan 8.230 nan 0.000 0.432 30 F N -0.178 119.776 119.950 0.007 0.000 2.146 30 F HA -0.164 4.417 4.527 0.089 0.000 0.298 30 F C 2.705 178.517 175.800 0.019 0.000 1.096 30 F CA 1.004 59.013 58.000 0.014 0.000 1.275 30 F CB -0.151 38.851 39.000 0.003 0.000 1.008 30 F HN 0.020 nan 8.300 nan 0.000 0.480 31 E N 0.144 120.456 120.200 0.186 0.000 2.110 31 E HA -0.164 4.239 4.350 0.089 0.000 0.193 31 E C 2.344 178.990 176.600 0.076 0.000 0.988 31 E CA 1.157 57.624 56.400 0.111 0.000 0.804 31 E CB -0.552 29.197 29.700 0.082 0.000 0.745 31 E HN 0.349 nan 8.360 nan 0.000 0.458 32 A N 0.776 123.630 122.820 0.058 0.000 2.119 32 A HA -0.091 4.282 4.320 0.089 0.000 0.216 32 A C 0.573 178.178 177.584 0.035 0.000 1.152 32 A CA 0.907 52.968 52.037 0.039 0.000 0.708 32 A CB 0.136 19.154 19.000 0.030 0.000 0.805 32 A HN 0.078 nan 8.150 nan 0.000 0.460 33 D N -2.053 118.369 120.400 0.036 0.000 2.336 33 D HA 0.380 5.073 4.640 0.089 0.000 0.248 33 D C -2.412 173.925 176.300 0.062 0.000 1.326 33 D CA -1.567 52.454 54.000 0.034 0.000 0.973 33 D CB 1.306 42.112 40.800 0.010 0.000 1.255 33 D HN -0.120 nan 8.370 nan 0.000 0.558 34 P HA -0.055 nan 4.420 nan 0.000 0.225 34 P C 0.641 178.013 177.300 0.120 0.000 1.148 34 P CA 0.664 63.825 63.100 0.101 0.000 0.779 34 P CB 0.391 32.135 31.700 0.073 0.000 0.780 35 E N -1.140 119.117 120.200 0.095 0.000 2.465 35 E HA 0.035 4.438 4.350 0.089 0.000 0.191 35 E C 1.772 178.442 176.600 0.116 0.000 1.053 35 E CA -0.052 56.406 56.400 0.097 0.000 0.869 35 E CB -0.176 29.554 29.700 0.050 0.000 0.977 35 E HN 0.276 nan 8.360 nan 0.000 0.483 36 R N 0.103 120.677 120.500 0.123 0.000 2.080 36 R HA -0.185 4.209 4.340 0.089 0.000 0.236 36 R C 2.122 178.555 176.300 0.222 0.000 1.137 36 R CA 1.452 57.618 56.100 0.109 0.000 0.943 36 R CB -0.355 29.771 30.300 -0.289 0.000 0.846 36 R HN 0.155 nan 8.270 nan 0.000 0.431 37 F N 1.993 122.036 119.950 0.154 0.000 2.095 37 F HA -0.251 4.330 4.527 0.089 0.000 0.298 37 F C 1.807 177.647 175.800 0.066 0.000 1.104 37 F CA 1.875 59.964 58.000 0.149 0.000 1.232 37 F CB -0.462 38.633 39.000 0.159 0.000 0.987 37 F HN 0.094 nan 8.300 nan 0.000 0.475 38 N N 0.845 119.535 118.700 -0.016 0.000 2.149 38 N HA -0.189 4.605 4.740 0.089 0.000 0.188 38 N C 1.316 176.686 175.510 -0.233 0.000 1.019 38 N CA 1.459 54.416 53.050 -0.154 0.000 0.857 38 N CB -0.666 37.833 38.487 0.019 0.000 0.997 38 N HN 0.402 nan 8.380 nan 0.000 0.426 39 N N -0.391 118.190 118.700 -0.199 0.000 2.446 39 N HA 0.022 4.815 4.740 0.089 0.000 0.179 39 N C -0.192 174.883 175.510 -0.724 0.000 1.054 39 N CA 0.378 53.185 53.050 -0.406 0.000 0.905 39 N CB 0.102 38.335 38.487 -0.422 0.000 0.973 39 N HN 0.203 nan 8.380 nan 0.000 0.448 40 F N 0.294 119.979 119.950 -0.441 0.000 2.761 40 F HA 0.316 4.896 4.527 0.089 0.000 0.367 40 F C 0.154 175.180 175.800 -1.290 0.000 1.386 40 F CA -0.664 56.794 58.000 -0.903 0.000 1.177 40 F CB 0.319 38.904 39.000 -0.692 0.000 1.092 40 F HN -0.215 nan 8.300 nan 0.000 0.517 41 S N -0.033 115.272 115.700 -0.658 0.000 2.570 41 S HA 0.845 5.368 4.470 0.089 0.000 0.270 41 S C -1.338 173.211 174.600 -0.086 0.000 1.149 41 S CA -0.833 57.133 58.200 -0.389 0.000 0.837 41 S CB 2.038 64.832 63.200 -0.677 0.000 1.124 41 S HN 0.143 nan 8.310 nan 0.000 0.465 42 L N 2.317 123.595 121.223 0.092 0.000 2.376 42 L HA 0.547 4.941 4.340 0.089 0.000 0.275 42 L C -0.606 176.336 176.870 0.120 0.000 0.987 42 L CA -0.723 54.192 54.840 0.124 0.000 0.828 42 L CB 1.793 43.971 42.059 0.198 0.000 1.249 42 L HN 0.734 nan 8.230 nan 0.000 0.409 43 N N 4.989 123.756 118.700 0.112 0.000 2.589 43 N HA 0.352 5.146 4.740 0.089 0.000 0.232 43 N C -1.083 174.522 175.510 0.159 0.000 1.015 43 N CA -0.309 52.839 53.050 0.164 0.000 0.931 43 N CB 0.696 39.292 38.487 0.182 0.000 1.150 43 N HN 0.529 nan 8.380 nan 0.000 0.512 44 L N 2.503 123.799 121.223 0.121 0.000 2.265 44 L HA 0.295 4.689 4.340 0.089 0.000 0.288 44 L C 0.587 177.356 176.870 -0.169 0.000 1.058 44 L CA -0.705 54.172 54.840 0.062 0.000 0.809 44 L CB 0.567 42.669 42.059 0.072 0.000 1.179 44 L HN 0.368 nan 8.230 nan 0.000 0.429 45 N N 1.624 120.182 118.700 -0.237 0.000 2.462 45 N HA 0.089 4.883 4.740 0.089 0.000 0.242 45 N C 0.850 176.150 175.510 -0.349 0.000 1.010 45 N CA -0.307 52.378 53.050 -0.607 0.000 0.939 45 N CB 1.287 39.484 38.487 -0.484 0.000 1.127 45 N HN 0.651 nan 8.380 nan 0.000 0.509 46 T N 0.070 114.251 114.554 -0.623 0.000 3.129 46 T HA 0.065 4.469 4.350 0.089 0.000 0.251 46 T C 0.427 174.847 174.700 -0.468 0.000 1.117 46 T CA -0.019 61.542 62.100 -0.899 0.000 1.034 46 T CB -0.208 68.016 68.868 -1.073 0.000 0.968 46 T HN 0.598 nan 8.240 nan 0.000 0.526 47 N N 1.056 119.516 118.700 -0.400 0.000 2.900 47 N HA -0.164 4.629 4.740 0.089 0.000 0.240 47 N C -0.493 174.530 175.510 -0.810 0.000 0.953 47 N CA 1.562 54.327 53.050 -0.474 0.000 0.950 47 N CB -1.457 36.790 38.487 -0.400 0.000 1.102 47 N HN 0.652 nan 8.380 nan 0.000 0.593 48 H N -0.471 118.339 119.070 -0.433 0.000 2.651 48 H HA 0.515 5.124 4.556 0.089 0.000 0.241 48 H C 1.305 176.464 175.328 -0.282 0.000 1.225 48 H CA 0.617 56.367 56.048 -0.496 0.000 0.942 48 H CB 0.589 29.677 29.762 -1.123 0.000 1.996 48 H HN 0.488 nan 8.280 nan 0.000 0.600 49 G N 0.470 109.214 108.800 -0.094 0.000 2.406 49 G HA2 -0.101 3.912 3.960 0.089 0.000 0.680 49 G HA3 -0.101 3.912 3.960 0.089 0.000 0.680 49 G C -1.387 173.518 174.900 0.008 0.000 1.338 49 G CA -1.032 44.096 45.100 0.046 0.000 0.941 49 G HN 0.386 nan 8.290 nan 0.000 0.633 50 H N -0.650 118.416 119.070 -0.007 0.000 2.499 50 H HA 0.623 5.233 4.556 0.089 0.000 0.340 50 H C -0.140 175.226 175.328 0.063 0.000 1.148 50 H CA -0.358 55.690 56.048 0.000 0.000 1.215 50 H CB 1.941 31.720 29.762 0.027 0.000 1.529 50 H HN 0.383 nan 8.280 nan 0.000 0.510 51 I N 3.835 124.483 120.570 0.131 0.000 2.410 51 I HA 0.052 4.275 4.170 0.089 0.000 0.286 51 I C -0.752 175.479 176.117 0.191 0.000 1.009 51 I CA -0.707 60.702 61.300 0.181 0.000 1.111 51 I CB 1.727 39.780 38.000 0.088 0.000 1.262 51 I HN 0.138 nan 8.210 nan 0.000 0.443 52 L N 8.793 130.155 121.223 0.233 0.000 2.257 52 L HA 0.450 4.844 4.340 0.089 0.000 0.290 52 L C -0.552 176.466 176.870 0.247 0.000 1.044 52 L CA -0.168 54.808 54.840 0.227 0.000 0.810 52 L CB 1.268 43.472 42.059 0.241 0.000 1.193 52 L HN 0.328 nan 8.230 nan 0.000 0.425 53 V N 4.853 124.904 119.914 0.228 0.000 2.288 53 V HA 0.274 4.448 4.120 0.089 0.000 0.266 53 V C -0.375 175.897 176.094 0.297 0.000 1.048 53 V CA -0.584 61.874 62.300 0.263 0.000 0.842 53 V CB 0.807 32.767 31.823 0.228 0.000 1.064 53 V HN 0.720 nan 8.190 nan 0.000 0.472 54 D N 4.255 124.834 120.400 0.297 0.000 2.396 54 D HA 0.202 4.895 4.640 0.089 0.000 0.225 54 D C 0.255 176.729 176.300 0.290 0.000 1.121 54 D CA -0.521 53.627 54.000 0.248 0.000 0.853 54 D CB 0.860 41.876 40.800 0.361 0.000 1.043 54 D HN 0.639 nan 8.370 nan 0.000 0.500 55 Y N 1.487 121.902 120.300 0.192 0.000 2.658 55 Y HA 0.230 4.833 4.550 0.090 0.000 0.276 55 Y C 1.554 177.572 175.900 0.196 0.000 1.167 55 Y CA -0.206 58.014 58.100 0.200 0.000 1.230 55 Y CB -0.311 38.262 38.460 0.187 0.000 1.144 55 Y HN 0.221 nan 8.280 nan 0.000 0.529 56 S N 0.330 116.057 115.700 0.045 0.000 2.453 56 S HA -0.059 4.465 4.470 0.089 0.000 0.231 56 S C 1.133 175.834 174.600 0.168 0.000 1.005 56 S CA 0.326 58.542 58.200 0.027 0.000 0.949 56 S CB -0.291 63.031 63.200 0.205 0.000 0.774 56 S HN 0.517 nan 8.310 nan 0.000 0.510 57 K N 1.636 122.204 120.400 0.279 0.000 2.627 57 K HA 0.249 4.622 4.320 0.089 0.000 0.212 57 K C -0.635 176.085 176.600 0.200 0.000 1.041 57 K CA -0.120 56.333 56.287 0.276 0.000 1.205 57 K CB -0.339 32.237 32.500 0.125 0.000 0.936 57 K HN 0.460 nan 8.250 nan 0.000 0.489 58 N N 0.409 119.223 118.700 0.191 0.000 2.472 58 N HA 0.243 5.036 4.740 0.089 0.000 0.289 58 N C -0.531 175.113 175.510 0.223 0.000 1.156 58 N CA -0.579 52.641 53.050 0.282 0.000 0.940 58 N CB 1.257 39.964 38.487 0.367 0.000 1.200 58 N HN -0.022 nan 8.380 nan 0.000 0.511 59 L N 2.229 123.692 121.223 0.400 0.000 2.437 59 L HA 0.215 4.609 4.340 0.089 0.000 0.243 59 L C -0.605 176.512 176.870 0.411 0.000 1.346 59 L CA -0.366 54.719 54.840 0.409 0.000 1.233 59 L CB -1.062 41.307 42.059 0.517 0.000 1.436 59 L HN 0.292 nan 8.230 nan 0.000 0.416 60 V N -1.860 118.102 119.914 0.080 0.000 3.049 60 V HA 0.870 5.043 4.120 0.089 0.000 0.309 60 V C -0.163 175.810 176.094 -0.202 0.000 1.148 60 V CA -0.586 61.641 62.300 -0.122 0.000 0.990 60 V CB 1.983 33.689 31.823 -0.196 0.000 1.039 60 V HN 0.309 nan 8.190 nan 0.000 0.430 61 S N 1.376 116.998 115.700 -0.131 0.000 2.751 61 S HA 0.528 5.051 4.470 0.089 0.000 0.310 61 S C 0.740 175.428 174.600 0.147 0.000 1.128 61 S CA -0.181 58.022 58.200 0.004 0.000 0.931 61 S CB 1.891 65.116 63.200 0.042 0.000 1.177 61 S HN 1.037 nan 8.310 nan 0.000 0.530 62 K N 0.345 120.892 120.400 0.245 0.000 2.074 62 K HA -0.184 4.189 4.320 0.089 0.000 0.209 62 K C 1.549 178.109 176.600 -0.067 0.000 1.048 62 K CA 1.983 58.319 56.287 0.080 0.000 0.926 62 K CB -0.342 32.167 32.500 0.015 0.000 0.713 62 K HN 0.650 nan 8.250 nan 0.000 0.444 63 E N 0.082 120.212 120.200 -0.117 0.000 2.077 63 E HA -0.145 4.258 4.350 0.089 0.000 0.193 63 E C 1.922 178.250 176.600 -0.453 0.000 0.989 63 E CA 1.215 57.471 56.400 -0.241 0.000 0.800 63 E CB -0.147 29.431 29.700 -0.204 0.000 0.746 63 E HN 0.072 nan 8.360 nan 0.000 0.452 64 V N 0.653 120.202 119.914 -0.609 0.000 2.295 64 V HA -0.287 3.886 4.120 0.089 0.000 0.246 64 V C 2.149 177.925 176.094 -0.531 0.000 1.049 64 V CA 1.593 63.406 62.300 -0.811 0.000 1.024 64 V CB -0.426 30.795 31.823 -1.003 0.000 0.648 64 V HN 0.319 nan 8.190 nan 0.000 0.447 65 M N -0.610 118.804 119.600 -0.309 0.000 2.117 65 M HA -0.197 4.336 4.480 0.089 0.000 0.262 65 M C 2.221 178.413 176.300 -0.179 0.000 1.065 65 M CA 1.616 56.805 55.300 -0.186 0.000 1.114 65 M CB -1.325 31.267 32.600 -0.013 0.000 1.361 65 M HN 0.424 nan 8.290 nan 0.000 0.408 66 Q N -0.531 119.162 119.800 -0.178 0.000 2.050 66 Q HA -0.124 4.270 4.340 0.089 0.000 0.202 66 Q C 2.160 178.067 176.000 -0.155 0.000 0.980 66 Q CA 1.479 57.193 55.803 -0.149 0.000 0.840 66 Q CB -0.159 28.498 28.738 -0.134 0.000 0.898 66 Q HN 0.497 nan 8.270 nan 0.000 0.424 67 M N 0.007 119.480 119.600 -0.213 0.000 2.159 67 M HA -0.175 4.359 4.480 0.089 0.000 0.263 67 M C 2.081 178.300 176.300 -0.135 0.000 1.063 67 M CA 1.274 56.465 55.300 -0.181 0.000 1.110 67 M CB -0.177 32.270 32.600 -0.254 0.000 1.374 67 M HN 0.237 nan 8.290 nan 0.000 0.411 68 L N -0.772 120.346 121.223 -0.175 0.000 2.017 68 L HA -0.184 4.210 4.340 0.089 0.000 0.208 68 L C 2.405 179.222 176.870 -0.089 0.000 1.073 68 L CA 0.883 55.651 54.840 -0.120 0.000 0.745 68 L CB -0.619 41.337 42.059 -0.171 0.000 0.894 68 L HN 0.104 nan 8.230 nan 0.000 0.432 69 V N -0.542 119.310 119.914 -0.103 0.000 2.343 69 V HA -0.236 3.937 4.120 0.089 0.000 0.247 69 V C 2.538 178.592 176.094 -0.066 0.000 1.051 69 V CA 1.532 63.783 62.300 -0.083 0.000 1.036 69 V CB -0.471 31.299 31.823 -0.088 0.000 0.654 69 V HN 0.416 nan 8.190 nan 0.000 0.451 70 E N -0.163 119.997 120.200 -0.066 0.000 2.110 70 E HA -0.213 4.191 4.350 0.089 0.000 0.193 70 E C 2.091 178.674 176.600 -0.029 0.000 0.988 70 E CA 1.103 57.474 56.400 -0.047 0.000 0.804 70 E CB -0.456 29.216 29.700 -0.047 0.000 0.745 70 E HN 0.472 nan 8.360 nan 0.000 0.458 71 L N 0.882 122.093 121.223 -0.020 0.000 2.046 71 L HA -0.083 4.310 4.340 0.089 0.000 0.208 71 L C 2.184 179.043 176.870 -0.017 0.000 1.077 71 L CA 2.076 56.920 54.840 0.007 0.000 0.747 71 L CB -0.839 41.249 42.059 0.048 0.000 0.896 71 L HN 0.041 nan 8.230 nan 0.000 0.432 72 A N -0.518 122.280 122.820 -0.036 0.000 1.908 72 A HA -0.262 4.111 4.320 0.089 0.000 0.218 72 A C 2.340 179.901 177.584 -0.039 0.000 1.181 72 A CA 2.137 54.147 52.037 -0.045 0.000 0.627 72 A CB -0.546 18.427 19.000 -0.045 0.000 0.818 72 A HN 0.530 nan 8.150 nan 0.000 0.445 73 K N -0.656 119.721 120.400 -0.039 0.000 2.057 73 K HA -0.105 4.269 4.320 0.089 0.000 0.207 73 K C 2.406 178.988 176.600 -0.029 0.000 1.049 73 K CA 1.401 57.665 56.287 -0.038 0.000 0.931 73 K CB -0.268 32.206 32.500 -0.043 0.000 0.714 73 K HN 0.424 nan 8.250 nan 0.000 0.440 74 S N 0.501 116.188 115.700 -0.021 0.000 2.419 74 S HA -0.063 4.461 4.470 0.089 0.000 0.233 74 S C 1.618 176.210 174.600 -0.013 0.000 1.016 74 S CA 0.920 59.114 58.200 -0.011 0.000 0.974 74 S CB 0.035 63.237 63.200 0.003 0.000 0.786 74 S HN 0.160 nan 8.310 nan 0.000 0.492 75 R N 0.282 120.768 120.500 -0.023 0.000 2.310 75 R HA 0.196 4.590 4.340 0.089 0.000 0.202 75 R C 1.393 177.675 176.300 -0.029 0.000 0.933 75 R CA 0.625 56.705 56.100 -0.032 0.000 1.054 75 R CB -0.764 29.501 30.300 -0.057 0.000 0.985 75 R HN 0.480 nan 8.270 nan 0.000 0.489 76 G N 1.000 109.786 108.800 -0.024 0.000 2.225 76 G HA2 -0.253 3.760 3.960 0.089 0.000 0.264 76 G HA3 -0.253 3.760 3.960 0.089 0.000 0.264 76 G C 0.890 175.787 174.900 -0.005 0.000 1.060 76 G CA 0.372 45.462 45.100 -0.016 0.000 0.833 76 G HN 0.189 nan 8.290 nan 0.000 0.498 77 V N -0.298 119.610 119.914 -0.009 0.000 2.287 77 V HA -0.205 3.968 4.120 0.089 0.000 0.248 77 V C 2.636 178.758 176.094 0.048 0.000 1.053 77 V CA 2.924 65.242 62.300 0.030 0.000 1.027 77 V CB -0.445 31.397 31.823 0.030 0.000 0.646 77 V HN 0.676 nan 8.190 nan 0.000 0.447 78 E N 0.117 120.299 120.200 -0.030 0.000 2.051 78 E HA -0.193 4.210 4.350 0.089 0.000 0.192 78 E C 2.324 178.876 176.600 -0.080 0.000 0.991 78 E CA 1.353 57.691 56.400 -0.104 0.000 0.799 78 E CB -0.377 29.245 29.700 -0.130 0.000 0.748 78 E HN 0.600 nan 8.360 nan 0.000 0.449 79 A N 1.358 124.156 122.820 -0.037 0.000 1.902 79 A HA -0.114 4.260 4.320 0.089 0.000 0.217 79 A C 2.375 179.984 177.584 0.042 0.000 1.181 79 A CA 1.675 53.701 52.037 -0.018 0.000 0.623 79 A CB -0.656 18.336 19.000 -0.012 0.000 0.818 79 A HN 0.298 nan 8.150 nan 0.000 0.443 80 A N -0.210 122.674 122.820 0.106 0.000 1.902 80 A HA -0.172 4.202 4.320 0.089 0.000 0.217 80 A C 2.271 180.104 177.584 0.414 0.000 1.181 80 A CA 1.720 53.903 52.037 0.243 0.000 0.623 80 A CB -0.538 18.591 19.000 0.215 0.000 0.818 80 A HN 0.568 nan 8.150 nan 0.000 0.443 81 R N -0.232 120.479 120.500 0.352 0.000 2.083 81 R HA -0.196 4.198 4.340 0.089 0.000 0.237 81 R C 1.389 177.676 176.300 -0.021 0.000 1.137 81 R CA 2.074 58.236 56.100 0.103 0.000 0.951 81 R CB -0.516 29.625 30.300 -0.264 0.000 0.851 81 R HN 0.416 nan 8.270 nan 0.000 0.434 82 D N 0.458 120.797 120.400 -0.100 0.000 2.149 82 D HA -0.142 4.552 4.640 0.089 0.000 0.198 82 D C 1.595 177.889 176.300 -0.011 0.000 0.990 82 D CA 1.056 54.986 54.000 -0.116 0.000 0.839 82 D CB -0.447 40.270 40.800 -0.138 0.000 0.948 82 D HN 0.285 nan 8.370 nan 0.000 0.460 83 N N 0.205 118.923 118.700 0.030 0.000 2.120 83 N HA -0.123 4.670 4.740 0.089 0.000 0.188 83 N C 1.792 177.313 175.510 0.018 0.000 1.024 83 N CA 0.492 53.564 53.050 0.037 0.000 0.852 83 N CB -0.357 38.175 38.487 0.076 0.000 1.003 83 N HN 0.287 nan 8.380 nan 0.000 0.424 84 M N -0.508 119.114 119.600 0.036 0.000 2.065 84 M HA -0.132 4.401 4.480 0.089 0.000 0.259 84 M C 1.368 177.545 176.300 -0.204 0.000 1.069 84 M CA 1.614 56.843 55.300 -0.119 0.000 1.110 84 M CB -0.161 32.279 32.600 -0.268 0.000 1.328 84 M HN -0.056 nan 8.290 nan 0.000 0.405 85 F N 0.398 120.183 119.950 -0.274 0.000 2.365 85 F HA -0.122 4.460 4.527 0.091 0.000 0.300 85 F C 2.710 178.371 175.800 -0.233 0.000 1.090 85 F CA 1.562 59.401 58.000 -0.270 0.000 1.408 85 F CB -0.457 38.383 39.000 -0.266 0.000 1.060 85 F HN 0.393 nan 8.300 nan 0.000 0.534 86 S N -1.180 114.501 115.700 -0.032 0.000 2.548 86 S HA 0.340 4.864 4.470 0.089 0.000 0.215 86 S C 1.702 176.221 174.600 -0.136 0.000 0.976 86 S CA 0.390 58.544 58.200 -0.078 0.000 0.908 86 S CB 0.039 63.205 63.200 -0.056 0.000 0.781 86 S HN 0.519 nan 8.310 nan 0.000 0.519 87 G N 0.952 109.642 108.800 -0.184 0.000 2.141 87 G HA2 -0.255 3.758 3.960 0.089 0.000 0.231 87 G HA3 -0.255 3.758 3.960 0.089 0.000 0.231 87 G C 0.088 174.904 174.900 -0.140 0.000 0.984 87 G CA 0.193 45.155 45.100 -0.231 0.000 0.660 87 G HN 0.877 nan 8.290 nan 0.000 0.525 88 S N -0.199 115.451 115.700 -0.083 0.000 2.568 88 S HA 0.348 4.871 4.470 0.089 0.000 0.282 88 S C 0.997 175.595 174.600 -0.003 0.000 1.338 88 S CA 0.379 58.564 58.200 -0.025 0.000 1.045 88 S CB 0.314 63.517 63.200 0.006 0.000 0.873 88 S HN 0.351 nan 8.310 nan 0.000 0.516 89 K N 4.401 124.825 120.400 0.039 0.000 2.480 89 K HA 0.162 4.535 4.320 0.089 0.000 0.241 89 K C 1.111 177.791 176.600 0.135 0.000 1.261 89 K CA -0.029 56.304 56.287 0.076 0.000 1.193 89 K CB -0.506 32.049 32.500 0.092 0.000 1.598 89 K HN 0.669 nan 8.250 nan 0.000 0.278 90 I N -2.341 118.307 120.570 0.129 0.000 2.928 90 I HA -0.069 4.155 4.170 0.089 0.000 0.266 90 I C 0.731 177.013 176.117 0.275 0.000 1.234 90 I CA 0.301 61.742 61.300 0.236 0.000 1.483 90 I CB -0.086 38.058 38.000 0.241 0.000 1.097 90 I HN 0.132 nan 8.210 nan 0.000 0.455 91 N N 1.848 120.647 118.700 0.164 0.000 2.671 91 N HA -0.045 4.748 4.740 0.089 0.000 0.274 91 N C 0.595 176.163 175.510 0.097 0.000 1.188 91 N CA -0.268 52.847 53.050 0.109 0.000 1.065 91 N CB -0.090 38.474 38.487 0.128 0.000 1.415 91 N HN 0.543 nan 8.380 nan 0.000 0.511 92 Y N 0.429 120.848 120.300 0.199 0.000 2.457 92 Y HA 0.061 4.669 4.550 0.097 0.000 0.292 92 Y C 2.060 178.071 175.900 0.186 0.000 1.125 92 Y CA 0.880 59.080 58.100 0.165 0.000 1.254 92 Y CB -0.918 37.623 38.460 0.136 0.000 1.012 92 Y HN 0.312 nan 8.280 nan 0.000 0.555 93 T N -2.269 112.381 114.554 0.161 0.000 3.023 93 T HA 0.002 4.406 4.350 0.089 0.000 0.266 93 T C 1.185 176.114 174.700 0.382 0.000 1.093 93 T CA 1.131 63.428 62.100 0.329 0.000 1.129 93 T CB -0.200 68.965 68.868 0.493 0.000 0.899 93 T HN 0.551 nan 8.240 nan 0.000 0.491 94 E N 0.631 121.000 120.200 0.281 0.000 2.498 94 E HA 0.128 4.531 4.350 0.089 0.000 0.203 94 E C -0.196 176.520 176.600 0.192 0.000 1.013 94 E CA -0.046 56.508 56.400 0.257 0.000 0.927 94 E CB 0.217 30.010 29.700 0.155 0.000 1.012 94 E HN 0.380 nan 8.360 nan 0.000 0.482 95 D N 1.688 122.200 120.400 0.186 0.000 2.737 95 D HA -0.192 4.502 4.640 0.089 0.000 0.238 95 D C -0.908 175.480 176.300 0.146 0.000 1.157 95 D CA 0.830 54.927 54.000 0.162 0.000 0.694 95 D CB -0.651 40.235 40.800 0.143 0.000 1.021 95 D HN 0.112 nan 8.370 nan 0.000 0.420 96 R N -0.180 120.408 120.500 0.146 0.000 2.807 96 R HA 0.832 5.225 4.340 0.089 0.000 0.276 96 R C 0.118 176.495 176.300 0.128 0.000 0.979 96 R CA -0.483 55.711 56.100 0.155 0.000 0.928 96 R CB 1.618 32.017 30.300 0.165 0.000 1.191 96 R HN 0.159 nan 8.270 nan 0.000 0.471 97 A N 1.279 124.180 122.820 0.135 0.000 2.366 97 A HA 0.400 4.773 4.320 0.089 0.000 0.250 97 A C -0.347 177.259 177.584 0.036 0.000 1.099 97 A CA -0.212 51.843 52.037 0.031 0.000 0.794 97 A CB 0.584 19.527 19.000 -0.094 0.000 1.056 97 A HN 0.375 nan 8.150 nan 0.000 0.499 98 V N 1.359 121.183 119.914 -0.150 0.000 2.385 98 V HA 0.307 4.480 4.120 0.089 0.000 0.277 98 V C -0.289 175.572 176.094 -0.389 0.000 1.012 98 V CA 0.127 62.252 62.300 -0.292 0.000 0.832 98 V CB 0.561 31.933 31.823 -0.752 0.000 1.028 98 V HN 0.707 nan 8.190 nan 0.000 0.436 99 L N 4.719 125.851 121.223 -0.151 0.000 3.291 99 L HA 0.290 4.683 4.340 0.089 0.000 0.307 99 L C 1.853 178.690 176.870 -0.055 0.000 1.303 99 L CA -0.262 54.386 54.840 -0.320 0.000 0.949 99 L CB 0.168 41.811 42.059 -0.693 0.000 1.375 99 L HN 0.807 nan 8.230 nan 0.000 0.596 100 H N -0.497 118.592 119.070 0.032 0.000 2.457 100 H HA -0.115 4.494 4.556 0.089 0.000 0.297 100 H C 1.953 177.210 175.328 -0.119 0.000 1.092 100 H CA 1.701 57.804 56.048 0.091 0.000 1.309 100 H CB -0.682 29.171 29.762 0.152 0.000 1.382 100 H HN 0.427 nan 8.280 nan 0.000 0.535 101 V N -0.374 119.220 119.914 -0.533 0.000 2.594 101 V HA -0.027 4.146 4.120 0.089 0.000 0.253 101 V C 2.796 178.722 176.094 -0.280 0.000 1.069 101 V CA 1.344 63.361 62.300 -0.471 0.000 1.082 101 V CB -1.173 30.123 31.823 -0.878 0.000 0.680 101 V HN 0.492 nan 8.190 nan 0.000 0.469 102 A N 0.824 123.484 122.820 -0.265 0.000 1.969 102 A HA 0.038 4.411 4.320 0.089 0.000 0.218 102 A C 2.196 179.775 177.584 -0.009 0.000 1.169 102 A CA 1.839 53.765 52.037 -0.185 0.000 0.635 102 A CB -0.635 18.147 19.000 -0.363 0.000 0.810 102 A HN 0.590 nan 8.150 nan 0.000 0.445 103 L N -0.259 121.044 121.223 0.132 0.000 2.127 103 L HA -0.165 4.228 4.340 0.089 0.000 0.211 103 L C 2.338 179.291 176.870 0.138 0.000 1.089 103 L CA 1.596 56.590 54.840 0.257 0.000 0.757 103 L CB -0.380 41.922 42.059 0.406 0.000 0.899 103 L HN 0.551 nan 8.230 nan 0.000 0.434 104 R N -0.588 119.914 120.500 0.003 0.000 2.586 104 R HA 0.094 4.487 4.340 0.089 0.000 0.336 104 R C 0.137 176.358 176.300 -0.131 0.000 1.060 104 R CA -0.207 55.854 56.100 -0.065 0.000 1.079 104 R CB -0.739 29.460 30.300 -0.168 0.000 1.317 104 R HN 0.044 nan 8.270 nan 0.000 0.568 105 N N 2.311 120.934 118.700 -0.130 0.000 2.605 105 N HA 0.007 4.800 4.740 0.089 0.000 0.282 105 N C 0.557 175.842 175.510 -0.375 0.000 1.206 105 N CA -0.167 52.742 53.050 -0.236 0.000 1.074 105 N CB 0.510 38.934 38.487 -0.104 0.000 1.434 105 N HN 0.056 nan 8.380 nan 0.000 0.506 106 R N 0.603 120.660 120.500 -0.740 0.000 2.193 106 R HA -0.085 4.308 4.340 0.089 0.000 0.229 106 R C 1.815 177.967 176.300 -0.247 0.000 1.110 106 R CA 1.041 56.894 56.100 -0.411 0.000 0.988 106 R CB -1.079 29.023 30.300 -0.329 0.000 0.871 106 R HN 0.659 nan 8.270 nan 0.000 0.458 107 S N 0.876 116.411 115.700 -0.275 0.000 2.447 107 S HA -0.107 4.416 4.470 0.089 0.000 0.233 107 S C 0.716 175.294 174.600 -0.037 0.000 1.006 107 S CA 0.596 58.769 58.200 -0.046 0.000 0.957 107 S CB -0.160 63.084 63.200 0.072 0.000 0.773 107 S HN 0.286 nan 8.310 nan 0.000 0.507 108 N N 0.657 119.318 118.700 -0.065 0.000 2.753 108 N HA -0.125 4.669 4.740 0.089 0.000 0.251 108 N C -0.721 174.769 175.510 -0.032 0.000 1.097 108 N CA 1.383 54.408 53.050 -0.041 0.000 0.786 108 N CB -2.430 36.045 38.487 -0.020 0.000 1.137 108 N HN 0.550 nan 8.380 nan 0.000 0.566 109 T N 2.520 117.059 114.554 -0.025 0.000 2.908 109 T HA 0.159 4.563 4.350 0.089 0.000 0.301 109 T C -2.121 172.550 174.700 -0.048 0.000 1.019 109 T CA -0.347 61.737 62.100 -0.026 0.000 1.152 109 T CB 0.741 69.602 68.868 -0.012 0.000 0.966 109 T HN 0.022 nan 8.240 nan 0.000 0.540 110 P HA 0.153 nan 4.420 nan 0.000 0.264 110 P C -0.595 176.645 177.300 -0.099 0.000 1.183 110 P CA 0.244 63.300 63.100 -0.074 0.000 0.763 110 P CB 0.246 31.909 31.700 -0.062 0.000 0.807 111 I N 3.431 123.915 120.570 -0.144 0.000 2.439 111 I HA 0.286 4.510 4.170 0.089 0.000 0.285 111 I C 0.315 176.295 176.117 -0.228 0.000 1.021 111 I CA -0.670 60.514 61.300 -0.194 0.000 1.091 111 I CB 1.664 39.507 38.000 -0.262 0.000 1.242 111 I HN 0.073 nan 8.210 nan 0.000 0.439 112 K N 5.385 125.671 120.400 -0.190 0.000 2.159 112 K HA 0.711 5.085 4.320 0.089 0.000 0.266 112 K C -1.084 175.400 176.600 -0.193 0.000 0.975 112 K CA -0.737 55.450 56.287 -0.167 0.000 0.865 112 K CB 2.658 35.094 32.500 -0.106 0.000 1.087 112 K HN 0.257 nan 8.250 nan 0.000 0.446 113 V N 3.162 122.968 119.914 -0.180 0.000 2.487 113 V HA 0.102 4.275 4.120 0.089 0.000 0.298 113 V C -0.418 175.647 176.094 -0.048 0.000 1.028 113 V CA -0.717 61.503 62.300 -0.134 0.000 0.860 113 V CB 1.479 33.201 31.823 -0.169 0.000 0.991 113 V HN 0.884 nan 8.190 nan 0.000 0.427 114 D N 4.024 124.410 120.400 -0.023 0.000 2.772 114 D HA -0.195 4.499 4.640 0.089 0.000 0.233 114 D C 1.312 177.606 176.300 -0.010 0.000 1.143 114 D CA 1.622 55.622 54.000 0.000 0.000 0.700 114 D CB -1.094 39.723 40.800 0.028 0.000 1.076 114 D HN 1.476 nan 8.370 nan 0.000 0.430 115 G N -0.159 108.624 108.800 -0.028 0.000 2.184 115 G HA2 -0.378 3.635 3.960 0.089 0.000 0.264 115 G HA3 -0.378 3.635 3.960 0.089 0.000 0.264 115 G C 0.289 175.169 174.900 -0.033 0.000 0.975 115 G CA 0.918 46.001 45.100 -0.029 0.000 0.642 115 G HN 0.631 nan 8.290 nan 0.000 0.536 116 K N 0.660 121.036 120.400 -0.040 0.000 2.323 116 K HA 0.466 4.839 4.320 0.089 0.000 0.259 116 K C -0.707 175.848 176.600 -0.075 0.000 0.947 116 K CA -0.876 55.387 56.287 -0.041 0.000 0.819 116 K CB 0.987 33.478 32.500 -0.016 0.000 1.109 116 K HN 0.006 nan 8.250 nan 0.000 0.429 117 D N 3.312 123.667 120.400 -0.075 0.000 2.450 117 D HA -0.058 4.636 4.640 0.089 0.000 0.247 117 D C 1.010 177.237 176.300 -0.123 0.000 1.162 117 D CA -0.030 53.908 54.000 -0.103 0.000 0.879 117 D CB 1.327 42.082 40.800 -0.074 0.000 1.163 117 D HN 0.341 nan 8.370 nan 0.000 0.472 118 V N 2.131 121.927 119.914 -0.197 0.000 3.406 118 V HA -0.060 4.114 4.120 0.089 0.000 0.263 118 V C 1.937 177.914 176.094 -0.196 0.000 1.172 118 V CA 0.199 62.357 62.300 -0.237 0.000 1.140 118 V CB -0.312 31.256 31.823 -0.425 0.000 0.784 118 V HN 0.409 nan 8.190 nan 0.000 0.467 119 M N 0.920 120.436 119.600 -0.141 0.000 2.117 119 M HA 0.047 4.580 4.480 0.089 0.000 0.262 119 M C 0.208 176.493 176.300 -0.026 0.000 1.065 119 M CA 1.398 56.650 55.300 -0.079 0.000 1.114 119 M CB -2.618 29.942 32.600 -0.066 0.000 1.361 119 M HN 0.323 nan 8.290 nan 0.000 0.408 120 P HA -0.160 nan 4.420 nan 0.000 0.216 120 P C 1.476 178.812 177.300 0.060 0.000 1.153 120 P CA 1.246 64.360 63.100 0.023 0.000 0.858 120 P CB -0.075 31.634 31.700 0.015 0.000 0.789 121 E N -0.760 119.459 120.200 0.032 0.000 2.112 121 E HA -0.063 4.340 4.350 0.089 0.000 0.190 121 E C 2.136 178.882 176.600 0.245 0.000 0.979 121 E CA 0.679 57.162 56.400 0.139 0.000 0.814 121 E CB -0.882 28.885 29.700 0.112 0.000 0.762 121 E HN 0.059 nan 8.360 nan 0.000 0.460 122 V N 2.630 122.567 119.914 0.039 0.000 2.287 122 V HA -0.278 3.895 4.120 0.089 0.000 0.248 122 V C 1.956 178.237 176.094 0.312 0.000 1.053 122 V CA 1.854 64.299 62.300 0.241 0.000 1.027 122 V CB -0.495 31.407 31.823 0.131 0.000 0.646 122 V HN 0.228 nan 8.190 nan 0.000 0.447 123 N N -0.350 118.469 118.700 0.198 0.000 2.270 123 N HA -0.119 4.675 4.740 0.089 0.000 0.181 123 N C 1.955 177.583 175.510 0.197 0.000 1.016 123 N CA 1.033 54.197 53.050 0.191 0.000 0.870 123 N CB -0.412 38.150 38.487 0.124 0.000 0.979 123 N HN 0.448 nan 8.380 nan 0.000 0.431 124 R N 0.943 121.558 120.500 0.192 0.000 2.073 124 R HA -0.051 4.343 4.340 0.089 0.000 0.234 124 R C 1.777 178.197 176.300 0.200 0.000 1.134 124 R CA 1.092 57.294 56.100 0.171 0.000 0.952 124 R CB -0.095 30.302 30.300 0.161 0.000 0.850 124 R HN -0.029 nan 8.270 nan 0.000 0.433 125 V N 1.346 121.436 119.914 0.294 0.000 2.358 125 V HA -0.221 3.952 4.120 0.089 0.000 0.246 125 V C 2.387 178.671 176.094 0.317 0.000 1.047 125 V CA 1.480 63.961 62.300 0.302 0.000 1.035 125 V CB -0.383 31.661 31.823 0.369 0.000 0.658 125 V HN 0.325 nan 8.190 nan 0.000 0.452 126 L N -0.128 121.308 121.223 0.356 0.000 2.042 126 L HA -0.217 4.176 4.340 0.089 0.000 0.210 126 L C 2.396 179.376 176.870 0.184 0.000 1.076 126 L CA 1.654 56.745 54.840 0.418 0.000 0.749 126 L CB -0.728 41.636 42.059 0.509 0.000 0.893 126 L HN 0.338 nan 8.230 nan 0.000 0.432 127 D N -0.130 120.345 120.400 0.125 0.000 2.117 127 D HA -0.204 4.489 4.640 0.089 0.000 0.197 127 D C 2.111 178.402 176.300 -0.015 0.000 0.987 127 D CA 1.115 55.117 54.000 0.003 0.000 0.829 127 D CB -0.056 40.775 40.800 0.052 0.000 0.961 127 D HN 0.222 nan 8.370 nan 0.000 0.460 128 K N 0.079 120.527 120.400 0.080 0.000 2.057 128 K HA -0.097 4.276 4.320 0.089 0.000 0.207 128 K C 2.182 178.939 176.600 0.261 0.000 1.049 128 K CA 0.876 57.237 56.287 0.124 0.000 0.931 128 K CB -0.047 32.493 32.500 0.067 0.000 0.714 128 K HN 0.070 nan 8.250 nan 0.000 0.440 129 M N 0.671 120.427 119.600 0.259 0.000 2.080 129 M HA -0.200 4.334 4.480 0.089 0.000 0.260 129 M C 2.337 178.583 176.300 -0.089 0.000 1.068 129 M CA 1.715 57.119 55.300 0.173 0.000 1.109 129 M CB -0.252 32.464 32.600 0.193 0.000 1.342 129 M HN 0.088 nan 8.290 nan 0.000 0.405 130 K N -0.203 119.838 120.400 -0.598 0.000 2.032 130 K HA -0.189 4.184 4.320 0.089 0.000 0.209 130 K C 2.231 178.673 176.600 -0.264 0.000 1.048 130 K CA 1.882 57.629 56.287 -0.900 0.000 0.927 130 K CB -0.204 31.556 32.500 -1.234 0.000 0.712 130 K HN 0.184 nan 8.250 nan 0.000 0.441 131 S N -0.204 115.433 115.700 -0.106 0.000 2.356 131 S HA -0.177 4.347 4.470 0.089 0.000 0.223 131 S C 1.785 176.454 174.600 0.115 0.000 1.032 131 S CA 1.209 59.424 58.200 0.025 0.000 1.005 131 S CB -0.493 62.750 63.200 0.071 0.000 0.867 131 S HN 0.453 nan 8.310 nan 0.000 0.449 132 F N 1.794 121.762 119.950 0.031 0.000 2.134 132 F HA -0.084 4.497 4.527 0.090 0.000 0.299 132 F C 2.530 178.292 175.800 -0.062 0.000 1.097 132 F CA 1.272 59.290 58.000 0.030 0.000 1.264 132 F CB -0.990 38.088 39.000 0.129 0.000 1.001 132 F HN 0.316 nan 8.300 nan 0.000 0.479 133 C N 0.328 119.579 119.300 -0.081 0.000 2.413 133 C HA -0.200 4.313 4.460 0.089 0.000 0.276 133 C C 2.825 177.729 174.990 -0.143 0.000 1.248 133 C CA 1.312 60.236 59.018 -0.157 0.000 1.742 133 C CB -1.171 26.568 27.740 -0.002 0.000 2.017 133 C HN 0.559 nan 8.230 nan 0.000 0.481 134 Q N 1.044 120.798 119.800 -0.075 0.000 2.061 134 Q HA -0.176 4.218 4.340 0.089 0.000 0.204 134 Q C 2.377 178.346 176.000 -0.050 0.000 0.984 134 Q CA 1.683 57.461 55.803 -0.042 0.000 0.846 134 Q CB -0.295 28.436 28.738 -0.012 0.000 0.902 134 Q HN 0.648 nan 8.270 nan 0.000 0.421 135 R N -0.685 119.782 120.500 -0.055 0.000 2.081 135 R HA -0.087 4.306 4.340 0.089 0.000 0.235 135 R C 2.467 178.739 176.300 -0.047 0.000 1.131 135 R CA 1.490 57.596 56.100 0.011 0.000 0.960 135 R CB -0.216 30.181 30.300 0.161 0.000 0.856 135 R HN 0.109 nan 8.270 nan 0.000 0.436 136 V N 0.755 120.488 119.914 -0.301 0.000 2.323 136 V HA -0.179 3.994 4.120 0.089 0.000 0.244 136 V C 2.206 178.202 176.094 -0.163 0.000 1.041 136 V CA 1.622 63.720 62.300 -0.336 0.000 1.025 136 V CB -0.424 30.969 31.823 -0.717 0.000 0.656 136 V HN 0.254 nan 8.190 nan 0.000 0.451 137 R N 0.973 121.383 120.500 -0.149 0.000 2.115 137 R HA -0.113 4.281 4.340 0.089 0.000 0.230 137 R C 2.478 178.756 176.300 -0.036 0.000 1.111 137 R CA 1.531 57.585 56.100 -0.076 0.000 0.976 137 R CB -0.464 29.801 30.300 -0.058 0.000 0.870 137 R HN 0.684 nan 8.270 nan 0.000 0.445 138 S N -0.865 114.819 115.700 -0.027 0.000 2.481 138 S HA 0.024 4.547 4.470 0.089 0.000 0.231 138 S C 1.577 176.181 174.600 0.007 0.000 0.996 138 S CA 0.733 58.930 58.200 -0.004 0.000 0.942 138 S CB 0.277 63.479 63.200 0.004 0.000 0.768 138 S HN 0.522 nan 8.310 nan 0.000 0.520 139 G N 0.948 109.755 108.800 0.011 0.000 2.175 139 G HA2 -0.252 3.761 3.960 0.089 0.000 0.244 139 G HA3 -0.252 3.761 3.960 0.089 0.000 0.244 139 G C 0.427 175.357 174.900 0.049 0.000 0.982 139 G CA 0.382 45.499 45.100 0.029 0.000 0.641 139 G HN 0.496 nan 8.290 nan 0.000 0.527 140 D N -0.843 119.590 120.400 0.055 0.000 2.144 140 D HA -0.017 4.677 4.640 0.089 0.000 0.200 140 D C 1.199 177.552 176.300 0.088 0.000 0.978 140 D CA 0.519 54.554 54.000 0.058 0.000 0.833 140 D CB -0.075 40.758 40.800 0.054 0.000 0.961 140 D HN 0.514 nan 8.370 nan 0.000 0.470 141 W N 2.690 123.950 121.300 -0.068 0.000 2.381 141 W HA 0.101 4.815 4.660 0.090 0.000 0.321 141 W C -0.224 176.262 176.519 -0.055 0.000 1.407 141 W CA 0.048 57.353 57.345 -0.066 0.000 1.274 141 W CB 0.328 29.709 29.460 -0.132 0.000 1.310 141 W HN -0.251 nan 8.180 nan 0.000 0.551 142 K N 4.642 124.954 120.400 -0.146 0.000 2.203 142 K HA 0.483 4.856 4.320 0.089 0.000 0.251 142 K C 0.502 177.066 176.600 -0.061 0.000 0.944 142 K CA -0.601 55.658 56.287 -0.046 0.000 0.829 142 K CB 1.645 34.106 32.500 -0.066 0.000 1.125 142 K HN 0.603 nan 8.250 nan 0.000 0.430 143 G N 0.488 109.330 108.800 0.071 0.000 2.588 143 G HA2 0.037 4.051 3.960 0.089 0.000 0.278 143 G HA3 0.037 4.051 3.960 0.089 0.000 0.278 143 G C 0.691 175.777 174.900 0.309 0.000 1.307 143 G CA -0.156 45.053 45.100 0.182 0.000 1.016 143 G HN 0.732 nan 8.290 nan 0.000 0.503 144 Y N -1.938 118.725 120.300 0.605 0.000 2.497 144 Y HA 0.003 4.607 4.550 0.089 0.000 0.292 144 Y C 2.228 178.227 175.900 0.164 0.000 1.137 144 Y CA 1.472 59.778 58.100 0.344 0.000 1.285 144 Y CB -0.385 38.304 38.460 0.383 0.000 0.991 144 Y HN 0.337 nan 8.280 nan 0.000 0.556 145 T N -3.613 110.686 114.554 -0.424 0.000 3.105 145 T HA 0.479 4.882 4.350 0.089 0.000 0.253 145 T C 1.383 176.003 174.700 -0.133 0.000 1.047 145 T CA 0.124 62.022 62.100 -0.336 0.000 0.944 145 T CB -0.078 68.505 68.868 -0.475 0.000 1.016 145 T HN 0.872 nan 8.240 nan 0.000 0.544 146 G N 1.366 110.129 108.800 -0.061 0.000 2.132 146 G HA2 -0.193 3.820 3.960 0.089 0.000 0.228 146 G HA3 -0.193 3.820 3.960 0.089 0.000 0.228 146 G C -0.239 174.651 174.900 -0.018 0.000 1.000 146 G CA -0.217 44.864 45.100 -0.031 0.000 0.693 146 G HN 0.655 nan 8.290 nan 0.000 0.515 147 K N 0.526 120.925 120.400 -0.002 0.000 2.156 147 K HA 0.632 5.005 4.320 0.089 0.000 0.254 147 K C 0.459 177.093 176.600 0.056 0.000 0.950 147 K CA -0.591 55.709 56.287 0.020 0.000 0.849 147 K CB 1.469 33.979 32.500 0.018 0.000 1.100 147 K HN 0.112 nan 8.250 nan 0.000 0.434 148 S N 1.647 117.378 115.700 0.052 0.000 2.573 148 S HA 0.124 4.647 4.470 0.089 0.000 0.277 148 S C 0.455 175.104 174.600 0.082 0.000 1.346 148 S CA -0.508 57.733 58.200 0.069 0.000 1.034 148 S CB 0.257 63.485 63.200 0.047 0.000 0.879 148 S HN 0.306 nan 8.310 nan 0.000 0.528 149 I N 3.078 123.699 120.570 0.085 0.000 2.471 149 I HA 0.090 4.313 4.170 0.089 0.000 0.286 149 I C 1.685 177.822 176.117 0.032 0.000 1.079 149 I CA 0.305 61.640 61.300 0.058 0.000 1.398 149 I CB 0.443 38.443 38.000 -0.000 0.000 1.403 149 I HN 0.864 nan 8.210 nan 0.000 0.530 150 T N 0.537 115.120 114.554 0.048 0.000 2.971 150 T HA 0.239 4.642 4.350 0.089 0.000 0.252 150 T C 0.376 175.119 174.700 0.072 0.000 1.022 150 T CA -0.091 62.043 62.100 0.057 0.000 0.980 150 T CB 0.534 69.448 68.868 0.076 0.000 1.044 150 T HN 0.509 nan 8.240 nan 0.000 0.501 151 D N 1.206 121.633 120.400 0.044 0.000 2.896 151 D HA 0.426 5.119 4.640 0.089 0.000 0.241 151 D C -1.071 175.184 176.300 -0.074 0.000 1.188 151 D CA -0.514 53.526 54.000 0.067 0.000 0.879 151 D CB 2.497 43.336 40.800 0.065 0.000 1.553 151 D HN 0.101 nan 8.370 nan 0.000 0.515 152 I N 2.365 122.901 120.570 -0.056 0.000 2.404 152 I HA 0.422 4.646 4.170 0.089 0.000 0.293 152 I C -0.163 175.819 176.117 -0.226 0.000 0.992 152 I CA -0.703 60.480 61.300 -0.195 0.000 1.149 152 I CB 1.477 39.366 38.000 -0.185 0.000 1.315 152 I HN 0.269 nan 8.210 nan 0.000 0.446 153 I N 5.093 125.437 120.570 -0.378 0.000 2.411 153 I HA 0.257 4.480 4.170 0.089 0.000 0.284 153 I C 0.086 176.048 176.117 -0.258 0.000 1.012 153 I CA -0.337 60.760 61.300 -0.338 0.000 1.119 153 I CB 1.164 38.887 38.000 -0.463 0.000 1.261 153 I HN 0.435 nan 8.210 nan 0.000 0.448 154 N N 6.536 125.018 118.700 -0.363 0.000 2.430 154 N HA 0.472 5.266 4.740 0.089 0.000 0.265 154 N C -0.990 174.471 175.510 -0.083 0.000 1.100 154 N CA -0.046 52.866 53.050 -0.230 0.000 0.961 154 N CB 0.685 38.988 38.487 -0.306 0.000 1.075 154 N HN 0.472 nan 8.380 nan 0.000 0.478 155 I N 2.919 123.478 120.570 -0.018 0.000 2.354 155 I HA 0.600 4.824 4.170 0.089 0.000 0.286 155 I C 0.625 176.729 176.117 -0.021 0.000 1.007 155 I CA -0.530 60.762 61.300 -0.013 0.000 1.167 155 I CB 1.318 39.314 38.000 -0.006 0.000 1.320 155 I HN 0.612 nan 8.210 nan 0.000 0.458 156 G N 6.102 114.899 108.800 -0.004 0.000 2.368 156 G HA2 0.559 4.572 3.960 0.089 0.000 0.293 156 G HA3 0.559 4.572 3.960 0.089 0.000 0.293 156 G C -2.121 172.787 174.900 0.012 0.000 1.467 156 G CA -0.483 44.612 45.100 -0.008 0.000 0.804 156 G HN 0.490 nan 8.290 nan 0.000 0.535 157 I N -0.041 120.527 120.570 -0.004 0.000 2.865 157 I HA 0.652 4.876 4.170 0.089 0.000 0.302 157 I C 1.044 177.148 176.117 -0.021 0.000 1.140 157 I CA 0.805 62.104 61.300 -0.002 0.000 1.021 157 I CB 2.010 40.008 38.000 -0.004 0.000 1.233 157 I HN 1.955 nan 8.210 nan 0.000 0.427 158 G N 4.015 112.792 108.800 -0.037 0.000 2.596 158 G HA2 -0.345 3.668 3.960 0.089 0.000 0.304 158 G HA3 -0.345 3.668 3.960 0.089 0.000 0.304 158 G C 0.919 175.767 174.900 -0.086 0.000 1.189 158 G CA 0.482 45.540 45.100 -0.070 0.000 0.986 158 G HN 1.310 nan 8.290 nan 0.000 0.548 159 G N -0.543 108.206 108.800 -0.084 0.000 2.470 159 G HA2 0.133 4.147 3.960 0.089 0.000 0.220 159 G HA3 0.133 4.147 3.960 0.089 0.000 0.220 159 G C 1.734 176.599 174.900 -0.057 0.000 1.121 159 G CA 1.944 46.991 45.100 -0.088 0.000 0.766 159 G HN 1.217 nan 8.290 nan 0.000 0.553 160 S N -0.591 115.093 115.700 -0.028 0.000 2.605 160 S HA 0.167 4.691 4.470 0.089 0.000 0.217 160 S C 1.117 175.718 174.600 0.002 0.000 0.958 160 S CA 0.669 58.862 58.200 -0.013 0.000 0.919 160 S CB 0.281 63.494 63.200 0.022 0.000 0.780 160 S HN 0.637 nan 8.310 nan 0.000 0.507 161 D N 0.397 120.786 120.400 -0.018 0.000 2.760 161 D HA 0.185 4.878 4.640 0.089 0.000 0.285 161 D C 1.559 177.785 176.300 -0.124 0.000 1.178 161 D CA -0.091 53.905 54.000 -0.007 0.000 1.031 161 D CB -0.340 40.469 40.800 0.014 0.000 1.544 161 D HN 0.142 nan 8.370 nan 0.000 0.468 162 L N 0.655 121.812 121.223 -0.110 0.000 2.046 162 L HA 0.108 4.501 4.340 0.089 0.000 0.208 162 L C 2.494 179.309 176.870 -0.093 0.000 1.077 162 L CA 1.587 56.360 54.840 -0.111 0.000 0.747 162 L CB -0.677 41.329 42.059 -0.089 0.000 0.896 162 L HN 0.255 nan 8.230 nan 0.000 0.432 163 G N 0.523 109.301 108.800 -0.037 0.000 2.453 163 G HA2 -0.182 3.831 3.960 0.089 0.000 0.215 163 G HA3 -0.182 3.831 3.960 0.089 0.000 0.215 163 G C -0.729 173.960 174.900 -0.352 0.000 1.201 163 G CA 0.692 45.638 45.100 -0.257 0.000 0.784 163 G HN 0.299 nan 8.290 nan 0.000 0.545 164 P HA -0.086 nan 4.420 nan 0.000 0.215 164 P C 2.088 179.139 177.300 -0.416 0.000 1.153 164 P CA 0.631 63.633 63.100 -0.165 0.000 0.853 164 P CB -0.118 31.639 31.700 0.095 0.000 0.788 165 L N -1.589 119.105 121.223 -0.881 0.000 1.994 165 L HA -0.155 4.238 4.340 0.089 0.000 0.208 165 L C 2.391 178.925 176.870 -0.559 0.000 1.071 165 L CA 1.761 55.861 54.840 -1.233 0.000 0.745 165 L CB -0.622 40.777 42.059 -1.099 0.000 0.892 165 L HN -0.066 nan 8.230 nan 0.000 0.431 166 M N -0.745 118.602 119.600 -0.422 0.000 2.117 166 M HA -0.173 4.360 4.480 0.089 0.000 0.262 166 M C 2.138 178.299 176.300 -0.232 0.000 1.065 166 M CA 2.013 57.127 55.300 -0.310 0.000 1.114 166 M CB -0.481 31.915 32.600 -0.341 0.000 1.361 166 M HN 0.222 nan 8.290 nan 0.000 0.408 167 V N 0.711 120.463 119.914 -0.271 0.000 2.379 167 V HA -0.230 3.944 4.120 0.089 0.000 0.245 167 V C 2.602 178.655 176.094 -0.068 0.000 1.044 167 V CA 2.192 64.386 62.300 -0.177 0.000 1.036 167 V CB -1.506 30.183 31.823 -0.224 0.000 0.664 167 V HN 0.674 nan 8.190 nan 0.000 0.453 168 T N -2.160 112.370 114.554 -0.040 0.000 2.833 168 T HA -0.187 4.217 4.350 0.089 0.000 0.269 168 T C 1.717 176.469 174.700 0.086 0.000 1.054 168 T CA 1.297 63.454 62.100 0.094 0.000 1.135 168 T CB -0.279 68.669 68.868 0.134 0.000 0.869 168 T HN 0.405 nan 8.240 nan 0.000 0.466 169 E N 1.840 122.052 120.200 0.020 0.000 2.047 169 E HA 0.032 4.436 4.350 0.089 0.000 0.191 169 E C 2.641 179.319 176.600 0.131 0.000 0.987 169 E CA 1.370 57.839 56.400 0.114 0.000 0.799 169 E CB -0.713 29.044 29.700 0.094 0.000 0.752 169 E HN 0.689 nan 8.360 nan 0.000 0.449 170 A N 0.683 123.542 122.820 0.065 0.000 2.015 170 A HA -0.051 4.322 4.320 0.089 0.000 0.219 170 A C 1.984 179.532 177.584 -0.059 0.000 1.163 170 A CA 0.782 52.863 52.037 0.073 0.000 0.646 170 A CB -0.236 18.797 19.000 0.056 0.000 0.806 170 A HN 0.165 nan 8.150 nan 0.000 0.448 171 L N -1.108 120.081 121.223 -0.058 0.000 2.872 171 L HA 0.151 4.545 4.340 0.089 0.000 0.245 171 L C 1.667 178.496 176.870 -0.067 0.000 1.211 171 L CA -0.223 54.613 54.840 -0.007 0.000 1.013 171 L CB 0.166 42.226 42.059 0.001 0.000 1.326 171 L HN 0.151 nan 8.230 nan 0.000 0.525 172 K N 1.985 122.230 120.400 -0.259 0.000 2.089 172 K HA -0.157 4.216 4.320 0.089 0.000 0.210 172 K C -0.726 175.709 176.600 -0.276 0.000 1.048 172 K CA 1.929 58.092 56.287 -0.208 0.000 0.926 172 K CB -1.008 31.413 32.500 -0.133 0.000 0.714 172 K HN 0.126 nan 8.250 nan 0.000 0.448 173 P HA -0.123 nan 4.420 nan 0.000 0.223 173 P C 0.183 177.150 177.300 -0.555 0.000 1.144 173 P CA 1.177 63.984 63.100 -0.487 0.000 0.783 173 P CB -0.043 31.233 31.700 -0.706 0.000 0.771 174 Y N -1.162 118.976 120.300 -0.270 0.000 2.461 174 Y HA 0.102 4.706 4.550 0.089 0.000 0.277 174 Y C 1.883 177.670 175.900 -0.188 0.000 1.182 174 Y CA 0.277 58.205 58.100 -0.287 0.000 1.276 174 Y CB -0.445 37.672 38.460 -0.573 0.000 1.087 174 Y HN 0.039 nan 8.280 nan 0.000 0.519 175 S N -1.206 114.394 115.700 -0.167 0.000 2.557 175 S HA 0.149 4.673 4.470 0.089 0.000 0.223 175 S C 0.322 174.791 174.600 -0.219 0.000 0.969 175 S CA -0.619 57.377 58.200 -0.341 0.000 0.927 175 S CB -0.177 62.522 63.200 -0.836 0.000 0.806 175 S HN 0.116 nan 8.310 nan 0.000 0.489 176 K N 1.333 121.664 120.400 -0.114 0.000 2.451 176 K HA 0.362 4.736 4.320 0.089 0.000 0.280 176 K C 1.274 177.850 176.600 -0.040 0.000 1.020 176 K CA 0.837 57.084 56.287 -0.066 0.000 1.008 176 K CB 0.163 32.634 32.500 -0.047 0.000 0.917 176 K HN 0.417 nan 8.250 nan 0.000 0.478 177 G N 2.130 110.912 108.800 -0.031 0.000 2.299 177 G HA2 -0.256 3.757 3.960 0.089 0.000 0.237 177 G HA3 -0.256 3.757 3.960 0.089 0.000 0.237 177 G C 0.539 175.427 174.900 -0.021 0.000 1.027 177 G CA -0.124 44.966 45.100 -0.016 0.000 0.619 177 G HN 0.865 nan 8.290 nan 0.000 0.513 178 G N 1.247 110.019 108.800 -0.046 0.000 2.572 178 G HA2 0.606 4.619 3.960 0.089 0.000 0.261 178 G HA3 0.606 4.619 3.960 0.089 0.000 0.261 178 G C -1.459 173.449 174.900 0.013 0.000 1.197 178 G CA -0.131 44.948 45.100 -0.036 0.000 0.870 178 G HN 0.386 nan 8.290 nan 0.000 0.548 179 P HA 0.186 nan 4.420 nan 0.000 0.274 179 P C -0.139 177.248 177.300 0.145 0.000 1.231 179 P CA -0.390 62.748 63.100 0.064 0.000 0.790 179 P CB 0.988 32.695 31.700 0.011 0.000 0.951 180 R N 0.294 120.858 120.500 0.106 0.000 2.623 180 R HA 0.290 4.683 4.340 0.089 0.000 0.271 180 R C -0.046 176.220 176.300 -0.057 0.000 1.043 180 R CA -0.182 55.944 56.100 0.044 0.000 1.083 180 R CB 0.243 30.575 30.300 0.055 0.000 0.974 180 R HN 0.289 nan 8.270 nan 0.000 0.436 181 V N 4.300 124.010 119.914 -0.338 0.000 2.555 181 V HA 0.483 4.657 4.120 0.089 0.000 0.302 181 V C -1.461 174.314 176.094 -0.531 0.000 1.038 181 V CA -0.632 61.406 62.300 -0.437 0.000 0.887 181 V CB 1.159 32.590 31.823 -0.654 0.000 0.991 181 V HN 0.662 nan 8.190 nan 0.000 0.434 182 W N 4.957 125.950 121.300 -0.511 0.000 2.844 182 W HA 0.718 5.430 4.660 0.087 0.000 0.340 182 W C -1.087 175.035 176.519 -0.661 0.000 1.093 182 W CA -0.724 56.396 57.345 -0.376 0.000 1.212 182 W CB 1.682 30.983 29.460 -0.265 0.000 1.422 182 W HN 0.379 nan 8.180 nan 0.000 0.515 183 F N 1.958 121.954 119.950 0.076 0.000 2.477 183 F HA 0.593 5.172 4.527 0.087 0.000 0.335 183 F C -0.275 175.419 175.800 -0.176 0.000 1.130 183 F CA -1.192 56.791 58.000 -0.028 0.000 0.948 183 F CB 1.315 40.299 39.000 -0.025 0.000 1.154 183 F HN -0.181 nan 8.300 nan 0.000 0.439 184 V N 2.969 122.810 119.914 -0.121 0.000 2.409 184 V HA 0.436 4.609 4.120 0.089 0.000 0.291 184 V C 0.035 176.037 176.094 -0.154 0.000 1.020 184 V CA -0.073 61.978 62.300 -0.415 0.000 0.848 184 V CB 1.426 33.095 31.823 -0.257 0.000 0.990 184 V HN 0.953 nan 8.190 nan 0.000 0.430 185 S N 2.917 118.591 115.700 -0.043 0.000 3.448 185 S HA 0.159 4.683 4.470 0.089 0.000 0.254 185 S C 0.672 175.379 174.600 0.178 0.000 1.102 185 S CA -0.202 58.077 58.200 0.132 0.000 0.797 185 S CB -0.139 63.166 63.200 0.175 0.000 0.891 185 S HN 0.536 nan 8.310 nan 0.000 0.474 186 N N 1.688 120.604 118.700 0.360 0.000 2.454 186 N HA 0.147 4.941 4.740 0.089 0.000 0.254 186 N C 0.768 176.352 175.510 0.122 0.000 1.228 186 N CA -0.043 53.112 53.050 0.174 0.000 0.900 186 N CB 0.846 39.384 38.487 0.085 0.000 1.089 186 N HN 0.332 nan 8.380 nan 0.000 0.449 187 I N 1.928 122.532 120.570 0.057 0.000 2.394 187 I HA -0.135 4.088 4.170 0.089 0.000 0.251 187 I C 0.340 176.481 176.117 0.041 0.000 1.136 187 I CA 0.683 62.004 61.300 0.036 0.000 1.425 187 I CB -0.606 37.403 38.000 0.015 0.000 1.079 187 I HN 0.569 nan 8.210 nan 0.000 0.425 188 D N 0.660 121.084 120.400 0.039 0.000 2.662 188 D HA -0.071 4.622 4.640 0.089 0.000 0.237 188 D C 1.569 177.902 176.300 0.054 0.000 1.154 188 D CA 0.931 54.950 54.000 0.032 0.000 0.861 188 D CB 0.705 41.511 40.800 0.010 0.000 1.146 188 D HN 0.365 nan 8.370 nan 0.000 0.518 189 G N 3.224 112.047 108.800 0.037 0.000 2.479 189 G HA2 -0.273 3.741 3.960 0.089 0.000 0.220 189 G HA3 -0.273 3.741 3.960 0.089 0.000 0.220 189 G C 1.505 176.432 174.900 0.045 0.000 1.115 189 G CA 1.058 46.179 45.100 0.035 0.000 0.757 189 G HN 0.586 nan 8.290 nan 0.000 0.560 190 T N -0.413 114.171 114.554 0.049 0.000 2.699 190 T HA -0.192 4.212 4.350 0.089 0.000 0.268 190 T C 1.880 176.649 174.700 0.116 0.000 1.036 190 T CA 1.549 63.683 62.100 0.057 0.000 1.147 190 T CB -0.378 68.510 68.868 0.034 0.000 0.862 190 T HN 0.601 nan 8.240 nan 0.000 0.446 191 H N -0.337 118.740 119.070 0.011 0.000 2.270 191 H HA 0.020 4.628 4.556 0.087 0.000 0.299 191 H C 2.440 177.768 175.328 0.001 0.000 1.077 191 H CA 1.352 57.413 56.048 0.022 0.000 1.294 191 H CB -0.119 29.660 29.762 0.029 0.000 1.371 191 H HN 0.254 nan 8.280 nan 0.000 0.491 192 I N 0.288 120.890 120.570 0.052 0.000 2.315 192 I HA -0.196 4.028 4.170 0.089 0.000 0.248 192 I C 2.504 178.552 176.117 -0.114 0.000 1.117 192 I CA 1.027 62.280 61.300 -0.078 0.000 1.404 192 I CB -0.179 37.769 38.000 -0.088 0.000 1.071 192 I HN 0.333 nan 8.210 nan 0.000 0.419 193 A N 1.664 124.452 122.820 -0.052 0.000 1.877 193 A HA -0.283 4.091 4.320 0.089 0.000 0.216 193 A C 2.235 179.781 177.584 -0.063 0.000 1.186 193 A CA 2.226 54.225 52.037 -0.063 0.000 0.620 193 A CB -0.651 18.342 19.000 -0.012 0.000 0.822 193 A HN 0.597 nan 8.150 nan 0.000 0.443 194 K N -1.059 119.338 120.400 -0.005 0.000 2.217 194 K HA -0.035 4.338 4.320 0.089 0.000 0.202 194 K C 1.626 178.210 176.600 -0.026 0.000 1.051 194 K CA 1.883 58.182 56.287 0.021 0.000 0.952 194 K CB -0.679 31.872 32.500 0.085 0.000 0.736 194 K HN 0.260 nan 8.250 nan 0.000 0.453 195 T N 1.738 116.239 114.554 -0.089 0.000 2.701 195 T HA 0.007 4.411 4.350 0.089 0.000 0.263 195 T C 1.712 176.106 174.700 -0.510 0.000 1.040 195 T CA 1.347 63.272 62.100 -0.293 0.000 1.147 195 T CB -0.226 68.497 68.868 -0.243 0.000 0.865 195 T HN 0.120 nan 8.240 nan 0.000 0.426 196 L N 0.958 121.898 121.223 -0.472 0.000 2.131 196 L HA -0.050 4.343 4.340 0.089 0.000 0.210 196 L C 2.984 179.668 176.870 -0.310 0.000 1.092 196 L CA 0.911 55.347 54.840 -0.673 0.000 0.759 196 L CB -0.691 40.740 42.059 -1.047 0.000 0.903 196 L HN 0.247 nan 8.230 nan 0.000 0.435 197 A N -1.005 121.714 122.820 -0.170 0.000 2.019 197 A HA -0.146 4.228 4.320 0.089 0.000 0.219 197 A C 2.289 179.867 177.584 -0.010 0.000 1.164 197 A CA 1.808 53.830 52.037 -0.024 0.000 0.644 197 A CB -0.301 18.698 19.000 -0.002 0.000 0.805 197 A HN 0.354 nan 8.150 nan 0.000 0.449 198 S N -1.021 114.611 115.700 -0.113 0.000 2.557 198 S HA 0.456 4.979 4.470 0.089 0.000 0.223 198 S C 0.102 174.636 174.600 -0.109 0.000 0.969 198 S CA -0.190 57.966 58.200 -0.074 0.000 0.927 198 S CB -0.218 62.964 63.200 -0.030 0.000 0.806 198 S HN 0.391 nan 8.310 nan 0.000 0.489 199 L N 0.336 121.506 121.223 -0.089 0.000 2.333 199 L HA 0.601 4.994 4.340 0.089 0.000 0.263 199 L C -0.097 176.941 176.870 0.279 0.000 1.014 199 L CA -0.646 54.193 54.840 -0.001 0.000 0.820 199 L CB 1.961 43.909 42.059 -0.184 0.000 1.352 199 L HN -0.045 nan 8.230 nan 0.000 0.421 200 S N 0.442 116.295 115.700 0.255 0.000 2.451 200 S HA 0.462 4.985 4.470 0.089 0.000 0.301 200 S C -2.039 172.747 174.600 0.310 0.000 1.116 200 S CA -1.539 56.807 58.200 0.244 0.000 1.093 200 S CB 1.586 64.866 63.200 0.134 0.000 1.017 200 S HN 0.336 nan 8.310 nan 0.000 0.482 201 P HA -0.058 nan 4.420 nan 0.000 0.221 201 P C 0.665 178.177 177.300 0.353 0.000 1.145 201 P CA 1.035 64.211 63.100 0.127 0.000 0.795 201 P CB 0.118 31.597 31.700 -0.368 0.000 0.775 202 E N -1.115 119.243 120.200 0.263 0.000 2.208 202 E HA -0.072 4.331 4.350 0.089 0.000 0.193 202 E C 0.982 177.796 176.600 0.356 0.000 0.988 202 E CA 1.591 58.114 56.400 0.207 0.000 0.828 202 E CB -0.357 29.318 29.700 -0.041 0.000 0.763 202 E HN 0.379 nan 8.360 nan 0.000 0.478 203 T N -2.652 112.080 114.554 0.296 0.000 3.170 203 T HA 0.246 4.650 4.350 0.089 0.000 0.288 203 T C 0.255 175.062 174.700 0.179 0.000 0.992 203 T CA -0.527 61.708 62.100 0.225 0.000 0.909 203 T CB 0.701 69.648 68.868 0.131 0.000 1.133 203 T HN -0.206 nan 8.240 nan 0.000 0.530 204 S N 1.937 117.776 115.700 0.232 0.000 2.451 204 S HA 0.721 5.245 4.470 0.089 0.000 0.301 204 S C -0.962 173.603 174.600 -0.058 0.000 1.116 204 S CA -0.751 57.436 58.200 -0.021 0.000 1.093 204 S CB 1.613 64.741 63.200 -0.120 0.000 1.017 204 S HN 0.471 nan 8.310 nan 0.000 0.482 205 L N 4.090 125.137 121.223 -0.293 0.000 2.305 205 L HA 0.656 5.049 4.340 0.089 0.000 0.284 205 L C -1.634 174.919 176.870 -0.529 0.000 1.013 205 L CA -0.314 54.353 54.840 -0.287 0.000 0.819 205 L CB 0.229 42.172 42.059 -0.195 0.000 1.227 205 L HN 0.496 nan 8.230 nan 0.000 0.417 206 F N 5.669 125.377 119.950 -0.404 0.000 2.404 206 F HA 0.522 5.102 4.527 0.088 0.000 0.339 206 F C 0.200 175.857 175.800 -0.238 0.000 1.105 206 F CA -0.310 57.434 58.000 -0.426 0.000 1.087 206 F CB 1.176 39.699 39.000 -0.796 0.000 1.143 206 F HN 0.266 nan 8.300 nan 0.000 0.491 207 I N 5.241 125.813 120.570 0.004 0.000 2.382 207 I HA 0.259 4.482 4.170 0.089 0.000 0.285 207 I C -0.839 175.313 176.117 0.058 0.000 1.007 207 I CA -0.588 60.715 61.300 0.005 0.000 1.142 207 I CB 0.968 38.912 38.000 -0.094 0.000 1.289 207 I HN 0.304 nan 8.210 nan 0.000 0.453 208 I N 5.904 126.553 120.570 0.132 0.000 2.291 208 I HA 0.372 4.596 4.170 0.089 0.000 0.292 208 I C 0.622 176.824 176.117 0.142 0.000 1.064 208 I CA -0.346 61.010 61.300 0.092 0.000 1.269 208 I CB 0.729 38.770 38.000 0.068 0.000 1.418 208 I HN 0.510 nan 8.210 nan 0.000 0.485 209 A N 4.974 127.826 122.820 0.053 0.000 2.256 209 A HA 0.679 5.053 4.320 0.089 0.000 0.317 209 A C 0.066 177.695 177.584 0.075 0.000 1.318 209 A CA -0.406 51.685 52.037 0.091 0.000 0.894 209 A CB 0.874 19.896 19.000 0.037 0.000 1.165 209 A HN 0.650 nan 8.150 nan 0.000 0.525 210 S N 2.075 117.890 115.700 0.191 0.000 2.584 210 S HA 0.236 4.759 4.470 0.089 0.000 0.282 210 S C 0.539 175.285 174.600 0.243 0.000 1.138 210 S CA -0.435 57.849 58.200 0.140 0.000 0.987 210 S CB 1.014 64.168 63.200 -0.076 0.000 1.137 210 S HN 0.809 nan 8.310 nan 0.000 0.457 211 K N 2.223 122.764 120.400 0.234 0.000 2.044 211 K HA -0.132 4.241 4.320 0.089 0.000 0.210 211 K C 1.810 178.367 176.600 -0.071 0.000 1.049 211 K CA 2.580 58.899 56.287 0.054 0.000 0.927 211 K CB -0.445 32.130 32.500 0.125 0.000 0.713 211 K HN 0.784 nan 8.250 nan 0.000 0.443 212 T N -2.738 111.824 114.554 0.014 0.000 3.014 212 T HA -0.041 4.363 4.350 0.089 0.000 0.263 212 T C 0.960 175.732 174.700 0.121 0.000 1.078 212 T CA 0.557 62.669 62.100 0.020 0.000 1.135 212 T CB -0.343 68.535 68.868 0.016 0.000 0.895 212 T HN 0.367 nan 8.240 nan 0.000 0.480 213 F N 2.155 122.062 119.950 -0.071 0.000 3.084 213 F HA -0.290 4.290 4.527 0.089 0.000 0.286 213 F C 1.046 176.811 175.800 -0.058 0.000 0.855 213 F CA 1.042 58.995 58.000 -0.078 0.000 1.091 213 F CB -1.614 37.334 39.000 -0.087 0.000 1.177 213 F HN 0.527 nan 8.300 nan 0.000 0.542 214 T N -5.002 109.540 114.554 -0.020 0.000 3.087 214 T HA 0.177 4.580 4.350 0.089 0.000 0.283 214 T C 0.550 175.215 174.700 -0.058 0.000 0.956 214 T CA 0.518 62.603 62.100 -0.025 0.000 0.894 214 T CB 0.161 69.043 68.868 0.023 0.000 1.160 214 T HN 0.092 nan 8.240 nan 0.000 0.532 215 T N 3.160 117.663 114.554 -0.086 0.000 2.871 215 T HA 0.069 4.472 4.350 0.089 0.000 0.296 215 T C 1.253 175.902 174.700 -0.085 0.000 0.998 215 T CA 0.081 62.138 62.100 -0.072 0.000 1.162 215 T CB 1.346 70.169 68.868 -0.074 0.000 0.947 215 T HN 0.412 nan 8.240 nan 0.000 0.536 216 Q N 2.586 122.357 119.800 -0.048 0.000 2.061 216 Q HA -0.206 4.188 4.340 0.089 0.000 0.204 216 Q C 1.766 177.737 176.000 -0.048 0.000 0.984 216 Q CA 1.885 57.664 55.803 -0.040 0.000 0.846 216 Q CB 0.061 28.789 28.738 -0.016 0.000 0.902 216 Q HN 0.736 nan 8.270 nan 0.000 0.421 217 E N -0.493 119.681 120.200 -0.042 0.000 2.058 217 E HA -0.158 4.245 4.350 0.089 0.000 0.194 217 E C 2.014 178.576 176.600 -0.064 0.000 0.997 217 E CA 1.963 58.342 56.400 -0.035 0.000 0.801 217 E CB -0.207 29.482 29.700 -0.018 0.000 0.746 217 E HN 0.324 nan 8.360 nan 0.000 0.450 218 T N 0.946 115.437 114.554 -0.104 0.000 2.737 218 T HA -0.074 4.329 4.350 0.089 0.000 0.265 218 T C 1.720 176.275 174.700 -0.241 0.000 1.038 218 T CA 0.810 62.810 62.100 -0.166 0.000 1.144 218 T CB -0.081 68.664 68.868 -0.204 0.000 0.866 218 T HN 0.030 nan 8.240 nan 0.000 0.434 219 I N 1.813 122.225 120.570 -0.263 0.000 2.315 219 I HA -0.103 4.121 4.170 0.089 0.000 0.248 219 I C 2.579 178.638 176.117 -0.096 0.000 1.117 219 I CA 1.390 62.528 61.300 -0.270 0.000 1.404 219 I CB -1.850 36.022 38.000 -0.213 0.000 1.071 219 I HN 0.261 nan 8.210 nan 0.000 0.419 220 T N 1.359 115.877 114.554 -0.059 0.000 2.708 220 T HA -0.124 4.279 4.350 0.089 0.000 0.266 220 T C 1.794 176.488 174.700 -0.009 0.000 1.037 220 T CA 1.309 63.402 62.100 -0.013 0.000 1.146 220 T CB -0.235 68.627 68.868 -0.010 0.000 0.865 220 T HN 0.258 nan 8.240 nan 0.000 0.435 221 N N 1.414 120.093 118.700 -0.036 0.000 2.104 221 N HA -0.051 4.743 4.740 0.089 0.000 0.190 221 N C 2.119 177.612 175.510 -0.029 0.000 1.024 221 N CA 1.419 54.447 53.050 -0.037 0.000 0.853 221 N CB -0.539 37.919 38.487 -0.049 0.000 1.008 221 N HN 0.431 nan 8.380 nan 0.000 0.424 222 A N 1.278 124.072 122.820 -0.044 0.000 1.902 222 A HA -0.134 4.240 4.320 0.089 0.000 0.217 222 A C 2.100 179.826 177.584 0.236 0.000 1.181 222 A CA 1.335 53.390 52.037 0.030 0.000 0.623 222 A CB -0.457 18.371 19.000 -0.287 0.000 0.818 222 A HN 0.344 nan 8.150 nan 0.000 0.443 223 E N -0.898 119.437 120.200 0.225 0.000 2.106 223 E HA -0.121 4.282 4.350 0.089 0.000 0.192 223 E C 2.053 178.702 176.600 0.081 0.000 0.984 223 E CA 1.506 58.018 56.400 0.186 0.000 0.806 223 E CB -0.289 29.498 29.700 0.146 0.000 0.750 223 E HN 0.587 nan 8.360 nan 0.000 0.458 224 T N 0.935 115.522 114.554 0.055 0.000 2.746 224 T HA -0.167 4.236 4.350 0.089 0.000 0.267 224 T C 1.992 176.726 174.700 0.056 0.000 1.039 224 T CA 1.265 63.389 62.100 0.040 0.000 1.142 224 T CB -0.212 68.661 68.868 0.007 0.000 0.866 224 T HN 0.248 nan 8.240 nan 0.000 0.444 225 A N 1.438 124.253 122.820 -0.008 0.000 1.902 225 A HA -0.117 4.257 4.320 0.089 0.000 0.217 225 A C 2.217 179.912 177.584 0.185 0.000 1.181 225 A CA 1.988 53.961 52.037 -0.107 0.000 0.623 225 A CB -0.528 18.139 19.000 -0.554 0.000 0.818 225 A HN 0.476 nan 8.150 nan 0.000 0.443 226 K N -0.295 120.190 120.400 0.141 0.000 2.097 226 K HA -0.192 4.182 4.320 0.089 0.000 0.206 226 K C 2.096 178.758 176.600 0.103 0.000 1.049 226 K CA 1.617 57.902 56.287 -0.003 0.000 0.933 226 K CB -0.149 32.143 32.500 -0.347 0.000 0.717 226 K HN 0.649 nan 8.250 nan 0.000 0.442 227 E N -0.470 119.783 120.200 0.088 0.000 2.077 227 E HA -0.230 4.173 4.350 0.089 0.000 0.193 227 E C 1.794 178.476 176.600 0.137 0.000 0.989 227 E CA 1.328 57.772 56.400 0.072 0.000 0.800 227 E CB -0.270 29.464 29.700 0.056 0.000 0.746 227 E HN 0.505 nan 8.360 nan 0.000 0.452 228 W N 0.547 121.859 121.300 0.019 0.000 2.335 228 W HA -0.260 4.455 4.660 0.090 0.000 0.311 228 W C 1.939 178.495 176.519 0.061 0.000 1.213 228 W CA 1.971 59.337 57.345 0.035 0.000 1.274 228 W CB -0.630 28.859 29.460 0.049 0.000 1.148 228 W HN 0.193 nan 8.180 nan 0.000 0.498 229 F N 0.770 120.795 119.950 0.124 0.000 2.102 229 F HA -0.175 4.406 4.527 0.090 0.000 0.298 229 F C 2.034 177.685 175.800 -0.248 0.000 1.105 229 F CA 2.196 60.137 58.000 -0.098 0.000 1.239 229 F CB -0.770 38.390 39.000 0.268 0.000 0.991 229 F HN -0.157 nan 8.300 nan 0.000 0.474 230 L N -0.150 120.942 121.223 -0.218 0.000 2.291 230 L HA -0.130 4.264 4.340 0.089 0.000 0.214 230 L C 2.231 178.896 176.870 -0.342 0.000 1.120 230 L CA 1.009 55.645 54.840 -0.340 0.000 0.799 230 L CB -0.591 41.390 42.059 -0.130 0.000 0.925 230 L HN 0.119 nan 8.230 nan 0.000 0.446 231 E N 0.192 120.228 120.200 -0.272 0.000 2.160 231 E HA -0.205 4.198 4.350 0.089 0.000 0.195 231 E C 2.137 178.552 176.600 -0.308 0.000 0.991 231 E CA 1.467 57.726 56.400 -0.236 0.000 0.810 231 E CB 0.003 29.600 29.700 -0.172 0.000 0.742 231 E HN 0.467 nan 8.360 nan 0.000 0.466 232 A N -0.031 122.510 122.820 -0.465 0.000 1.887 232 A HA 0.236 4.609 4.320 0.089 0.000 0.212 232 A C 2.236 179.530 177.584 -0.483 0.000 1.198 232 A CA 1.142 52.917 52.037 -0.436 0.000 0.628 232 A CB -0.491 18.208 19.000 -0.501 0.000 0.847 232 A HN 0.290 nan 8.150 nan 0.000 0.449 233 A N -0.801 121.465 122.820 -0.923 0.000 1.930 233 A HA 0.136 4.510 4.320 0.089 0.000 0.215 233 A C 1.203 178.460 177.584 -0.545 0.000 1.176 233 A CA 1.270 52.609 52.037 -1.163 0.000 0.632 233 A CB -0.358 17.409 19.000 -2.054 0.000 0.819 233 A HN 0.480 nan 8.150 nan 0.000 0.445 234 K N -0.531 119.611 120.400 -0.429 0.000 3.069 234 K HA -0.194 4.180 4.320 0.089 0.000 0.267 234 K C -0.859 175.638 176.600 -0.171 0.000 1.082 234 K CA 0.958 57.103 56.287 -0.236 0.000 0.782 234 K CB -1.464 30.937 32.500 -0.165 0.000 1.230 234 K HN 0.586 nan 8.250 nan 0.000 0.488 235 D N -1.051 119.237 120.400 -0.187 0.000 2.591 235 D HA 0.142 4.836 4.640 0.089 0.000 0.222 235 D C -1.919 174.358 176.300 -0.038 0.000 1.360 235 D CA -1.801 52.146 54.000 -0.090 0.000 0.967 235 D CB 1.497 42.262 40.800 -0.058 0.000 1.456 235 D HN -0.198 nan 8.370 nan 0.000 0.588 236 P HA -0.129 nan 4.420 nan 0.000 0.220 236 P C 1.209 178.535 177.300 0.043 0.000 1.148 236 P CA 0.803 63.900 63.100 -0.005 0.000 0.803 236 P CB 0.183 31.861 31.700 -0.035 0.000 0.782 237 S N 0.036 115.766 115.700 0.050 0.000 2.447 237 S HA -0.014 4.510 4.470 0.089 0.000 0.233 237 S C 2.138 176.828 174.600 0.150 0.000 1.006 237 S CA 0.871 59.118 58.200 0.077 0.000 0.957 237 S CB -1.166 62.068 63.200 0.056 0.000 0.773 237 S HN 0.143 nan 8.310 nan 0.000 0.507 238 A N 1.307 124.250 122.820 0.206 0.000 2.067 238 A HA 0.173 4.547 4.320 0.089 0.000 0.219 238 A C 2.243 180.132 177.584 0.509 0.000 1.158 238 A CA 1.109 53.375 52.037 0.381 0.000 0.661 238 A CB -0.887 18.308 19.000 0.326 0.000 0.801 238 A HN 0.450 nan 8.150 nan 0.000 0.452 239 V N -0.034 120.102 119.914 0.369 0.000 2.392 239 V HA -0.310 3.864 4.120 0.089 0.000 0.249 239 V C 2.968 179.249 176.094 0.312 0.000 1.059 239 V CA 1.889 64.330 62.300 0.235 0.000 1.051 239 V CB -1.150 30.680 31.823 0.011 0.000 0.658 239 V HN 0.608 nan 8.190 nan 0.000 0.455 240 A N -0.521 122.454 122.820 0.259 0.000 2.125 240 A HA -0.194 4.179 4.320 0.089 0.000 0.219 240 A C 2.181 179.982 177.584 0.361 0.000 1.156 240 A CA 1.576 53.773 52.037 0.266 0.000 0.671 240 A CB -0.351 18.752 19.000 0.171 0.000 0.794 240 A HN 0.607 nan 8.150 nan 0.000 0.459 241 K N -1.588 119.028 120.400 0.361 0.000 2.393 241 K HA 0.099 4.472 4.320 0.089 0.000 0.193 241 K C 0.624 177.378 176.600 0.257 0.000 1.026 241 K CA 0.566 57.047 56.287 0.324 0.000 1.064 241 K CB 0.135 32.732 32.500 0.160 0.000 0.833 241 K HN 0.603 nan 8.250 nan 0.000 0.521 242 H N -1.611 117.672 119.070 0.356 0.000 3.398 242 H HA 0.200 4.809 4.556 0.088 0.000 0.260 242 H C -0.711 174.589 175.328 -0.046 0.000 1.189 242 H CA -0.012 56.107 56.048 0.118 0.000 1.145 242 H CB 0.766 30.387 29.762 -0.235 0.000 1.599 242 H HN -0.051 nan 8.280 nan 0.000 0.615 243 F N 1.839 121.928 119.950 0.231 0.000 2.557 243 F HA 0.359 4.938 4.527 0.087 0.000 0.316 243 F C 0.080 175.994 175.800 0.191 0.000 1.141 243 F CA -1.156 56.982 58.000 0.229 0.000 0.922 243 F CB 2.066 41.200 39.000 0.223 0.000 1.194 243 F HN -0.233 nan 8.300 nan 0.000 0.443 244 V N 0.321 120.397 119.914 0.270 0.000 3.046 244 V HA 1.024 5.197 4.120 0.089 0.000 0.316 244 V C -0.883 175.336 176.094 0.209 0.000 1.104 244 V CA -1.064 61.346 62.300 0.182 0.000 1.006 244 V CB 1.603 33.446 31.823 0.032 0.000 1.058 244 V HN 0.910 nan 8.190 nan 0.000 0.440 245 A N 2.869 125.799 122.820 0.184 0.000 2.386 245 A HA 0.904 5.278 4.320 0.089 0.000 0.311 245 A C -0.931 176.760 177.584 0.180 0.000 1.068 245 A CA -0.780 51.362 52.037 0.176 0.000 0.743 245 A CB 1.430 20.409 19.000 -0.034 0.000 1.258 245 A HN 1.091 nan 8.150 nan 0.000 0.429 246 L N 1.802 123.150 121.223 0.209 0.000 2.316 246 L HA 0.764 5.157 4.340 0.089 0.000 0.280 246 L C 0.061 177.141 176.870 0.349 0.000 1.006 246 L CA -0.283 54.699 54.840 0.236 0.000 0.836 246 L CB 1.248 43.386 42.059 0.131 0.000 1.221 246 L HN 0.648 nan 8.230 nan 0.000 0.418 247 S N 0.009 115.828 115.700 0.199 0.000 2.611 247 S HA 0.423 4.947 4.470 0.089 0.000 0.268 247 S C 0.424 174.683 174.600 -0.569 0.000 1.156 247 S CA 0.208 58.349 58.200 -0.098 0.000 0.817 247 S CB 1.863 64.998 63.200 -0.109 0.000 1.122 247 S HN 0.727 nan 8.310 nan 0.000 0.466 248 T N -0.522 113.606 114.554 -0.710 0.000 3.040 248 T HA 0.291 4.695 4.350 0.089 0.000 0.250 248 T C 0.262 174.747 174.700 -0.358 0.000 1.058 248 T CA 0.073 61.785 62.100 -0.646 0.000 0.988 248 T CB -0.249 68.212 68.868 -0.677 0.000 0.993 248 T HN 0.314 nan 8.240 nan 0.000 0.519 249 N N 1.720 120.254 118.700 -0.276 0.000 2.817 249 N HA 0.269 5.062 4.740 0.089 0.000 0.234 249 N C 0.757 176.136 175.510 -0.219 0.000 1.066 249 N CA -0.053 52.888 53.050 -0.182 0.000 0.926 249 N CB 1.058 39.497 38.487 -0.080 0.000 1.176 249 N HN 0.164 nan 8.380 nan 0.000 0.506 250 T N 0.835 115.274 114.554 -0.191 0.000 2.720 250 T HA -0.148 4.255 4.350 0.089 0.000 0.268 250 T C 1.834 176.449 174.700 -0.142 0.000 1.037 250 T CA 1.737 63.730 62.100 -0.179 0.000 1.144 250 T CB -0.007 68.783 68.868 -0.129 0.000 0.864 250 T HN 0.573 nan 8.240 nan 0.000 0.444 251 A N 1.827 124.592 122.820 -0.092 0.000 1.883 251 A HA -0.140 4.233 4.320 0.089 0.000 0.217 251 A C 2.328 179.892 177.584 -0.034 0.000 1.186 251 A CA 1.341 53.348 52.037 -0.050 0.000 0.624 251 A CB -0.320 18.665 19.000 -0.025 0.000 0.822 251 A HN 0.235 nan 8.150 nan 0.000 0.444 252 K N -0.372 120.010 120.400 -0.030 0.000 2.155 252 K HA 0.018 4.392 4.320 0.089 0.000 0.203 252 K C 1.994 178.609 176.600 0.024 0.000 1.052 252 K CA 1.044 57.369 56.287 0.065 0.000 0.948 252 K CB -0.581 32.015 32.500 0.161 0.000 0.728 252 K HN 0.355 nan 8.250 nan 0.000 0.448 253 V N 1.737 121.445 119.914 -0.344 0.000 2.295 253 V HA -0.238 3.936 4.120 0.089 0.000 0.246 253 V C 2.538 178.564 176.094 -0.115 0.000 1.049 253 V CA 1.685 63.636 62.300 -0.581 0.000 1.024 253 V CB -0.354 31.033 31.823 -0.727 0.000 0.648 253 V HN 0.338 nan 8.190 nan 0.000 0.447 254 K N -0.151 120.198 120.400 -0.085 0.000 2.057 254 K HA -0.232 4.142 4.320 0.089 0.000 0.207 254 K C 2.171 178.787 176.600 0.027 0.000 1.049 254 K CA 1.875 58.148 56.287 -0.023 0.000 0.931 254 K CB -0.135 32.343 32.500 -0.037 0.000 0.714 254 K HN 0.545 nan 8.250 nan 0.000 0.440 255 E N -0.432 119.801 120.200 0.054 0.000 2.085 255 E HA -0.217 4.186 4.350 0.089 0.000 0.194 255 E C 1.749 178.422 176.600 0.121 0.000 0.994 255 E CA 1.352 57.799 56.400 0.079 0.000 0.801 255 E CB -0.170 29.588 29.700 0.097 0.000 0.743 255 E HN 0.337 nan 8.360 nan 0.000 0.453 256 F N -0.043 119.948 119.950 0.068 0.000 2.293 256 F HA -0.045 4.538 4.527 0.093 0.000 0.300 256 F C 1.306 177.116 175.800 0.017 0.000 1.086 256 F CA 1.433 59.489 58.000 0.094 0.000 1.375 256 F CB 0.396 39.571 39.000 0.292 0.000 1.045 256 F HN 0.089 nan 8.300 nan 0.000 0.516 257 G N 1.161 109.954 108.800 -0.012 0.000 2.141 257 G HA2 -0.193 3.821 3.960 0.089 0.000 0.164 257 G HA3 -0.193 3.821 3.960 0.089 0.000 0.164 257 G C -0.078 174.812 174.900 -0.017 0.000 1.009 257 G CA -0.081 44.952 45.100 -0.111 0.000 0.677 257 G HN 0.318 nan 8.290 nan 0.000 0.508 258 I N 1.283 121.923 120.570 0.117 0.000 2.359 258 I HA 0.249 4.472 4.170 0.089 0.000 0.294 258 I C 0.387 176.532 176.117 0.047 0.000 0.987 258 I CA -0.719 60.660 61.300 0.132 0.000 1.225 258 I CB 1.223 39.358 38.000 0.225 0.000 1.366 258 I HN 0.091 nan 8.210 nan 0.000 0.466 259 D N 8.574 129.004 120.400 0.052 0.000 2.488 259 D HA 0.009 4.702 4.640 0.089 0.000 0.238 259 D C -1.476 174.807 176.300 -0.029 0.000 1.138 259 D CA -1.052 52.959 54.000 0.017 0.000 0.873 259 D CB 1.575 42.402 40.800 0.045 0.000 1.183 259 D HN 0.282 nan 8.370 nan 0.000 0.458 260 P HA -0.157 nan 4.420 nan 0.000 0.219 260 P C 0.984 178.208 177.300 -0.126 0.000 1.146 260 P CA 1.099 64.143 63.100 -0.093 0.000 0.808 260 P CB 0.260 31.916 31.700 -0.073 0.000 0.779 261 Q N -0.978 118.765 119.800 -0.095 0.000 2.436 261 Q HA -0.038 4.356 4.340 0.089 0.000 0.209 261 Q C 0.903 176.785 176.000 -0.197 0.000 0.965 261 Q CA 0.610 56.340 55.803 -0.122 0.000 0.910 261 Q CB -0.354 28.359 28.738 -0.041 0.000 0.980 261 Q HN 0.245 nan 8.270 nan 0.000 0.491 262 N N -0.241 118.372 118.700 -0.146 0.000 2.235 262 N HA 0.112 4.905 4.740 0.089 0.000 0.209 262 N C -0.560 174.822 175.510 -0.214 0.000 1.122 262 N CA 0.170 53.127 53.050 -0.155 0.000 0.845 262 N CB 0.464 38.981 38.487 0.051 0.000 1.004 262 N HN 0.214 nan 8.380 nan 0.000 0.499 263 M N 0.652 120.060 119.600 -0.319 0.000 2.205 263 M HA 0.353 4.886 4.480 0.089 0.000 0.344 263 M C -1.372 174.680 176.300 -0.414 0.000 1.085 263 M CA -0.605 54.545 55.300 -0.250 0.000 1.001 263 M CB 0.605 33.078 32.600 -0.212 0.000 1.626 263 M HN -0.180 nan 8.290 nan 0.000 0.442 264 F N 3.619 123.484 119.950 -0.141 0.000 2.361 264 F HA 0.375 4.955 4.527 0.087 0.000 0.364 264 F C 0.242 175.980 175.800 -0.104 0.000 1.120 264 F CA -0.566 57.366 58.000 -0.112 0.000 1.102 264 F CB 0.763 39.696 39.000 -0.112 0.000 1.183 264 F HN 0.521 nan 8.300 nan 0.000 0.476 265 E N 4.014 124.169 120.200 -0.074 0.000 2.331 265 E HA 0.451 4.855 4.350 0.089 0.000 0.272 265 E C -0.597 175.671 176.600 -0.554 0.000 1.036 265 E CA -0.376 55.835 56.400 -0.316 0.000 0.864 265 E CB 1.292 30.759 29.700 -0.389 0.000 1.035 265 E HN 0.556 nan 8.360 nan 0.000 0.408 266 F N -0.664 118.704 119.950 -0.970 0.000 2.876 266 F HA 0.712 5.290 4.527 0.084 0.000 0.358 266 F C -0.849 174.088 175.800 -1.438 0.000 1.209 266 F CA -1.103 56.019 58.000 -1.464 0.000 1.051 266 F CB 1.250 39.909 39.000 -0.568 0.000 1.474 266 F HN 0.305 nan 8.300 nan 0.000 0.521 267 W N 0.852 121.890 121.300 -0.437 0.000 2.975 267 W HA 0.192 4.905 4.660 0.089 0.000 0.342 267 W C 0.047 176.170 176.519 -0.660 0.000 1.168 267 W CA -0.319 56.572 57.345 -0.757 0.000 1.141 267 W CB 1.278 29.907 29.460 -1.385 0.000 1.445 267 W HN 0.709 nan 8.180 nan 0.000 0.560 268 D N -0.571 119.655 120.400 -0.291 0.000 2.263 268 D HA -0.202 4.492 4.640 0.089 0.000 0.208 268 D C 1.469 177.794 176.300 0.042 0.000 0.971 268 D CA 1.251 55.189 54.000 -0.103 0.000 0.867 268 D CB -0.568 40.228 40.800 -0.006 0.000 0.929 268 D HN 0.539 nan 8.370 nan 0.000 0.492 269 W N 0.660 122.081 121.300 0.202 0.000 3.180 269 W HA 0.345 5.060 4.660 0.091 0.000 0.254 269 W C -0.570 176.070 176.519 0.202 0.000 1.318 269 W CA -0.638 56.792 57.345 0.142 0.000 1.608 269 W CB -0.420 29.079 29.460 0.065 0.000 1.124 269 W HN -0.261 nan 8.180 nan 0.000 0.694 270 V N 2.706 122.818 119.914 0.330 0.000 2.320 270 V HA 0.425 4.598 4.120 0.089 0.000 0.265 270 V C 1.043 177.373 176.094 0.395 0.000 1.048 270 V CA -0.628 61.936 62.300 0.439 0.000 0.865 270 V CB 0.205 32.310 31.823 0.470 0.000 1.043 270 V HN 0.136 nan 8.190 nan 0.000 0.474 271 G N 3.316 112.371 108.800 0.425 0.000 2.441 271 G HA2 0.372 4.385 3.960 0.089 0.000 0.243 271 G HA3 0.372 4.385 3.960 0.089 0.000 0.243 271 G C 1.131 176.226 174.900 0.325 0.000 1.281 271 G CA 0.192 45.535 45.100 0.404 0.000 0.854 271 G HN 0.872 nan 8.290 nan 0.000 0.560 272 G N 1.827 110.750 108.800 0.206 0.000 2.476 272 G HA2 -0.279 3.735 3.960 0.089 0.000 0.218 272 G HA3 -0.279 3.735 3.960 0.089 0.000 0.218 272 G C 1.672 176.571 174.900 -0.002 0.000 1.164 272 G CA 0.934 46.098 45.100 0.108 0.000 0.768 272 G HN 0.793 nan 8.290 nan 0.000 0.560 273 R N -0.846 119.597 120.500 -0.095 0.000 2.323 273 R HA 0.139 4.532 4.340 0.089 0.000 0.198 273 R C 0.355 176.336 176.300 -0.531 0.000 0.988 273 R CA 0.518 56.393 56.100 -0.376 0.000 1.041 273 R CB -0.298 29.695 30.300 -0.512 0.000 0.926 273 R HN 0.470 nan 8.270 nan 0.000 0.476 274 Y N 0.463 120.786 120.300 0.038 0.000 2.715 274 Y HA 0.193 4.794 4.550 0.085 0.000 0.255 274 Y C 1.312 177.363 175.900 0.251 0.000 1.139 274 Y CA -0.349 57.818 58.100 0.111 0.000 1.151 274 Y CB 1.261 39.650 38.460 -0.119 0.000 1.201 274 Y HN 0.201 nan 8.280 nan 0.000 0.556 275 S N -0.682 115.120 115.700 0.169 0.000 2.511 275 S HA -0.034 4.490 4.470 0.089 0.000 0.214 275 S C 1.661 176.200 174.600 -0.100 0.000 0.997 275 S CA 0.106 58.335 58.200 0.049 0.000 0.908 275 S CB -0.494 62.636 63.200 -0.117 0.000 0.803 275 S HN 0.450 nan 8.310 nan 0.000 0.504 276 L N -1.191 119.877 121.223 -0.258 0.000 2.261 276 L HA 0.253 4.647 4.340 0.089 0.000 0.216 276 L C 1.821 178.546 176.870 -0.241 0.000 1.114 276 L CA 1.006 55.623 54.840 -0.372 0.000 0.777 276 L CB -1.554 40.156 42.059 -0.580 0.000 0.910 276 L HN 0.371 nan 8.230 nan 0.000 0.440 277 W N 0.809 122.185 121.300 0.128 0.000 2.800 277 W HA 0.185 4.897 4.660 0.086 0.000 0.249 277 W C 1.872 178.550 176.519 0.264 0.000 1.294 277 W CA 0.384 57.817 57.345 0.147 0.000 1.402 277 W CB -0.715 28.811 29.460 0.110 0.000 1.126 277 W HN 0.376 nan 8.180 nan 0.000 0.652 278 S N 0.324 116.224 115.700 0.333 0.000 2.590 278 S HA 0.643 5.166 4.470 0.089 0.000 0.282 278 S C 1.675 176.341 174.600 0.111 0.000 1.136 278 S CA -0.107 58.234 58.200 0.235 0.000 1.030 278 S CB 0.536 63.742 63.200 0.010 0.000 1.195 278 S HN 0.039 nan 8.310 nan 0.000 0.506 279 A N 0.378 123.201 122.820 0.006 0.000 1.997 279 A HA -0.076 4.298 4.320 0.089 0.000 0.221 279 A C 2.085 179.548 177.584 -0.202 0.000 1.172 279 A CA 1.589 53.597 52.037 -0.048 0.000 0.645 279 A CB -1.222 17.819 19.000 0.067 0.000 0.813 279 A HN 0.733 nan 8.150 nan 0.000 0.454 280 I N -0.091 120.264 120.570 -0.358 0.000 2.423 280 I HA -0.206 4.017 4.170 0.089 0.000 0.254 280 I C 2.323 178.318 176.117 -0.204 0.000 1.151 280 I CA 1.480 62.595 61.300 -0.308 0.000 1.421 280 I CB -1.652 36.096 38.000 -0.419 0.000 1.079 280 I HN 0.387 nan 8.210 nan 0.000 0.431 281 G N 0.274 108.969 108.800 -0.175 0.000 2.956 281 G HA2 -0.064 3.949 3.960 0.089 0.000 0.207 281 G HA3 -0.064 3.949 3.960 0.089 0.000 0.207 281 G C 1.578 176.208 174.900 -0.450 0.000 1.162 281 G CA -0.156 44.818 45.100 -0.210 0.000 0.796 281 G HN 0.269 nan 8.290 nan 0.000 0.527 282 L N 1.986 122.978 121.223 -0.385 0.000 2.042 282 L HA -0.148 4.246 4.340 0.089 0.000 0.210 282 L C 3.057 179.750 176.870 -0.295 0.000 1.076 282 L CA 2.576 57.167 54.840 -0.415 0.000 0.749 282 L CB -0.565 41.191 42.059 -0.505 0.000 0.893 282 L HN 0.314 nan 8.230 nan 0.000 0.432 283 S N -1.057 114.518 115.700 -0.208 0.000 2.399 283 S HA -0.179 4.344 4.470 0.089 0.000 0.231 283 S C 2.027 176.591 174.600 -0.060 0.000 1.022 283 S CA 1.428 59.544 58.200 -0.140 0.000 0.983 283 S CB -0.993 62.124 63.200 -0.138 0.000 0.803 283 S HN 0.526 nan 8.310 nan 0.000 0.480 284 I N 2.462 122.988 120.570 -0.072 0.000 2.142 284 I HA -0.143 4.081 4.170 0.089 0.000 0.240 284 I C 3.124 179.230 176.117 -0.017 0.000 1.078 284 I CA 1.276 62.577 61.300 0.002 0.000 1.343 284 I CB -0.772 37.247 38.000 0.032 0.000 1.046 284 I HN 0.413 nan 8.210 nan 0.000 0.405 285 A N 0.829 123.509 122.820 -0.233 0.000 1.933 285 A HA -0.147 4.227 4.320 0.089 0.000 0.218 285 A C 2.313 179.887 177.584 -0.016 0.000 1.175 285 A CA 1.441 53.391 52.037 -0.146 0.000 0.628 285 A CB -0.860 17.953 19.000 -0.312 0.000 0.814 285 A HN 0.388 nan 8.150 nan 0.000 0.444 286 L N -1.849 119.339 121.223 -0.057 0.000 2.093 286 L HA -0.178 4.215 4.340 0.089 0.000 0.208 286 L C 2.653 179.545 176.870 0.036 0.000 1.085 286 L CA 1.664 56.478 54.840 -0.044 0.000 0.755 286 L CB -0.502 41.497 42.059 -0.100 0.000 0.904 286 L HN 0.563 nan 8.230 nan 0.000 0.435 287 H N -0.353 118.690 119.070 -0.045 0.000 2.333 287 H HA -0.083 4.527 4.556 0.090 0.000 0.302 287 H C 1.819 177.168 175.328 0.034 0.000 1.075 287 H CA 1.885 57.924 56.048 -0.014 0.000 1.348 287 H CB 0.201 29.960 29.762 -0.005 0.000 1.393 287 H HN 0.168 nan 8.280 nan 0.000 0.509 288 V N -3.072 116.879 119.914 0.062 0.000 3.660 288 V HA 0.493 4.666 4.120 0.089 0.000 0.276 288 V C 0.852 177.071 176.094 0.209 0.000 1.317 288 V CA 0.479 62.835 62.300 0.094 0.000 1.097 288 V CB -0.233 31.660 31.823 0.117 0.000 0.863 288 V HN 0.675 nan 8.190 nan 0.000 0.438 289 G N -0.094 108.783 108.800 0.128 0.000 2.712 289 G HA2 -0.204 3.809 3.960 0.089 0.000 0.686 289 G HA3 -0.204 3.809 3.960 0.089 0.000 0.686 289 G C -0.434 174.563 174.900 0.162 0.000 1.181 289 G CA -0.057 45.113 45.100 0.116 0.000 0.762 289 G HN 0.391 nan 8.290 nan 0.000 0.641 290 F N 0.951 120.928 119.950 0.045 0.000 2.234 290 F HA 0.014 4.594 4.527 0.088 0.000 0.299 290 F C 2.238 178.119 175.800 0.135 0.000 1.087 290 F CA 2.342 60.410 58.000 0.113 0.000 1.340 290 F CB 0.105 39.157 39.000 0.087 0.000 1.031 290 F HN 0.520 nan 8.300 nan 0.000 0.500 291 D N -0.766 119.686 120.400 0.086 0.000 2.104 291 D HA -0.205 4.488 4.640 0.089 0.000 0.194 291 D C 2.028 178.263 176.300 -0.108 0.000 0.994 291 D CA 1.904 55.874 54.000 -0.050 0.000 0.830 291 D CB -0.629 40.096 40.800 -0.126 0.000 0.959 291 D HN 0.471 nan 8.370 nan 0.000 0.452 292 H N -1.423 117.637 119.070 -0.017 0.000 2.423 292 H HA -0.038 4.571 4.556 0.089 0.000 0.297 292 H C 1.726 177.011 175.328 -0.072 0.000 1.075 292 H CA 0.587 56.591 56.048 -0.074 0.000 1.342 292 H CB -0.023 29.690 29.762 -0.081 0.000 1.395 292 H HN 0.056 nan 8.280 nan 0.000 0.530 293 F N 1.942 121.824 119.950 -0.114 0.000 2.134 293 F HA -0.171 4.409 4.527 0.087 0.000 0.299 293 F C 2.085 177.733 175.800 -0.253 0.000 1.097 293 F CA 1.462 59.334 58.000 -0.214 0.000 1.264 293 F CB -0.098 38.707 39.000 -0.324 0.000 1.001 293 F HN 0.104 nan 8.300 nan 0.000 0.479 294 E N -0.421 119.557 120.200 -0.371 0.000 2.110 294 E HA -0.266 4.137 4.350 0.089 0.000 0.193 294 E C 2.147 178.647 176.600 -0.168 0.000 0.988 294 E CA 1.421 57.629 56.400 -0.320 0.000 0.804 294 E CB -0.205 29.370 29.700 -0.209 0.000 0.745 294 E HN 0.608 nan 8.360 nan 0.000 0.458 295 Q N 0.319 120.063 119.800 -0.094 0.000 2.079 295 Q HA -0.159 4.235 4.340 0.089 0.000 0.200 295 Q C 2.306 178.288 176.000 -0.029 0.000 0.974 295 Q CA 0.847 56.653 55.803 0.005 0.000 0.840 295 Q CB -0.105 28.653 28.738 0.033 0.000 0.898 295 Q HN 0.186 nan 8.270 nan 0.000 0.430 296 L N 0.644 121.799 121.223 -0.113 0.000 2.012 296 L HA -0.208 4.185 4.340 0.089 0.000 0.210 296 L C 1.942 178.780 176.870 -0.053 0.000 1.073 296 L CA 1.648 56.425 54.840 -0.106 0.000 0.748 296 L CB -0.345 41.622 42.059 -0.154 0.000 0.891 296 L HN 0.207 nan 8.230 nan 0.000 0.431 297 L N -1.260 119.858 121.223 -0.176 0.000 2.042 297 L HA -0.217 4.176 4.340 0.089 0.000 0.210 297 L C 2.504 179.319 176.870 -0.092 0.000 1.076 297 L CA 1.449 56.219 54.840 -0.116 0.000 0.749 297 L CB -0.747 41.180 42.059 -0.220 0.000 0.893 297 L HN 0.248 nan 8.230 nan 0.000 0.432 298 S N 0.018 115.681 115.700 -0.062 0.000 2.382 298 S HA -0.118 4.405 4.470 0.089 0.000 0.228 298 S C 2.037 176.544 174.600 -0.156 0.000 1.027 298 S CA 1.170 59.402 58.200 0.054 0.000 0.991 298 S CB -0.556 62.765 63.200 0.202 0.000 0.823 298 S HN 0.617 nan 8.310 nan 0.000 0.469 299 G N 1.428 109.832 108.800 -0.660 0.000 2.418 299 G HA2 -0.079 3.934 3.960 0.089 0.000 0.217 299 G HA3 -0.079 3.934 3.960 0.089 0.000 0.217 299 G C 1.574 176.213 174.900 -0.436 0.000 1.158 299 G CA 0.902 45.234 45.100 -1.281 0.000 0.771 299 G HN 0.573 nan 8.290 nan 0.000 0.545 300 A N 0.387 123.057 122.820 -0.250 0.000 1.902 300 A HA -0.125 4.249 4.320 0.089 0.000 0.217 300 A C 2.123 179.650 177.584 -0.095 0.000 1.181 300 A CA 2.149 54.036 52.037 -0.249 0.000 0.623 300 A CB -0.814 17.758 19.000 -0.713 0.000 0.818 300 A HN 0.520 nan 8.150 nan 0.000 0.443 301 H N -2.228 116.763 119.070 -0.131 0.000 2.352 301 H HA -0.207 4.402 4.556 0.088 0.000 0.299 301 H C 1.744 177.120 175.328 0.079 0.000 1.097 301 H CA 2.104 58.141 56.048 -0.020 0.000 1.311 301 H CB -0.463 29.299 29.762 0.001 0.000 1.377 301 H HN 0.687 nan 8.280 nan 0.000 0.504 302 W N 0.163 121.408 121.300 -0.092 0.000 2.335 302 W HA -0.278 4.435 4.660 0.088 0.000 0.311 302 W C 2.369 178.875 176.519 -0.022 0.000 1.213 302 W CA 2.010 59.330 57.345 -0.041 0.000 1.274 302 W CB -0.330 29.191 29.460 0.102 0.000 1.148 302 W HN 0.296 nan 8.180 nan 0.000 0.498 303 M N 0.973 120.772 119.600 0.331 0.000 2.175 303 M HA -0.169 4.365 4.480 0.089 0.000 0.264 303 M C 1.390 177.814 176.300 0.207 0.000 1.063 303 M CA 2.024 57.501 55.300 0.295 0.000 1.119 303 M CB -0.859 31.910 32.600 0.281 0.000 1.377 303 M HN -0.118 nan 8.290 nan 0.000 0.415 304 D N -0.303 120.200 120.400 0.172 0.000 2.104 304 D HA -0.185 4.509 4.640 0.089 0.000 0.194 304 D C 2.003 178.313 176.300 0.017 0.000 0.994 304 D CA 1.197 55.371 54.000 0.290 0.000 0.830 304 D CB -0.321 40.642 40.800 0.271 0.000 0.959 304 D HN 0.416 nan 8.370 nan 0.000 0.452 305 Q N -0.170 119.480 119.800 -0.250 0.000 2.119 305 Q HA -0.144 4.249 4.340 0.089 0.000 0.201 305 Q C 2.125 177.877 176.000 -0.413 0.000 0.972 305 Q CA 0.828 56.390 55.803 -0.401 0.000 0.847 305 Q CB -0.623 27.803 28.738 -0.519 0.000 0.903 305 Q HN 0.617 nan 8.270 nan 0.000 0.433 306 H N -0.229 118.513 119.070 -0.545 0.000 2.290 306 H HA -0.166 4.443 4.556 0.089 0.000 0.298 306 H C 1.884 177.100 175.328 -0.186 0.000 1.087 306 H CA 1.572 57.350 56.048 -0.451 0.000 1.291 306 H CB -0.190 29.290 29.762 -0.470 0.000 1.369 306 H HN 0.183 nan 8.280 nan 0.000 0.492 307 F N 1.232 121.028 119.950 -0.256 0.000 2.134 307 F HA -0.171 4.410 4.527 0.089 0.000 0.299 307 F C 2.418 177.951 175.800 -0.445 0.000 1.097 307 F CA 1.123 58.945 58.000 -0.297 0.000 1.264 307 F CB -0.831 38.009 39.000 -0.267 0.000 1.001 307 F HN 0.206 nan 8.300 nan 0.000 0.479 308 L N 0.371 121.188 121.223 -0.677 0.000 2.109 308 L HA -0.093 4.300 4.340 0.089 0.000 0.207 308 L C 1.936 178.434 176.870 -0.620 0.000 1.086 308 L CA 1.868 56.167 54.840 -0.902 0.000 0.760 308 L CB -0.581 40.880 42.059 -0.995 0.000 0.910 308 L HN 0.056 nan 8.230 nan 0.000 0.437 309 K N -1.966 118.140 120.400 -0.490 0.000 2.360 309 K HA 0.206 4.580 4.320 0.089 0.000 0.196 309 K C 0.067 176.466 176.600 -0.336 0.000 1.049 309 K CA 0.048 56.108 56.287 -0.378 0.000 1.049 309 K CB 0.550 32.855 32.500 -0.325 0.000 0.881 309 K HN 0.168 nan 8.250 nan 0.000 0.542 310 T N 3.615 117.930 114.554 -0.398 0.000 2.806 310 T HA 0.238 4.642 4.350 0.089 0.000 0.290 310 T C -2.598 171.944 174.700 -0.263 0.000 0.966 310 T CA -1.610 60.279 62.100 -0.351 0.000 1.060 310 T CB 1.389 69.919 68.868 -0.563 0.000 0.927 310 T HN -0.128 nan 8.240 nan 0.000 0.485 311 P HA 0.081 nan 4.420 nan 0.000 0.265 311 P C 1.068 178.293 177.300 -0.126 0.000 1.187 311 P CA -0.036 62.977 63.100 -0.144 0.000 0.766 311 P CB 0.436 32.070 31.700 -0.110 0.000 0.820 312 L N 2.455 123.612 121.223 -0.110 0.000 2.081 312 L HA -0.228 4.165 4.340 0.089 0.000 0.212 312 L C 2.267 179.095 176.870 -0.069 0.000 1.080 312 L CA 1.697 56.489 54.840 -0.080 0.000 0.754 312 L CB -0.871 41.146 42.059 -0.070 0.000 0.893 312 L HN 0.546 nan 8.230 nan 0.000 0.433 313 E N 0.600 120.757 120.200 -0.072 0.000 2.333 313 E HA -0.202 4.201 4.350 0.089 0.000 0.198 313 E C 0.941 177.517 176.600 -0.040 0.000 1.007 313 E CA 1.063 57.423 56.400 -0.066 0.000 0.845 313 E CB -0.082 29.576 29.700 -0.070 0.000 0.766 313 E HN 0.479 nan 8.360 nan 0.000 0.507 314 K N 0.678 121.059 120.400 -0.031 0.000 2.536 314 K HA 0.161 4.534 4.320 0.089 0.000 0.203 314 K C -0.001 176.634 176.600 0.058 0.000 1.063 314 K CA -0.302 55.998 56.287 0.021 0.000 1.063 314 K CB 0.416 32.924 32.500 0.013 0.000 0.843 314 K HN -0.045 nan 8.250 nan 0.000 0.521 315 N N 1.408 120.116 118.700 0.014 0.000 2.457 315 N HA 0.189 4.982 4.740 0.089 0.000 0.250 315 N C 0.621 176.240 175.510 0.180 0.000 0.982 315 N CA 0.105 53.173 53.050 0.030 0.000 0.941 315 N CB 1.606 40.066 38.487 -0.045 0.000 1.120 315 N HN 0.067 nan 8.380 nan 0.000 0.505 316 A N 6.753 129.839 122.820 0.444 0.000 1.851 316 A HA -0.061 4.313 4.320 0.089 0.000 0.216 316 A C -0.578 177.049 177.584 0.071 0.000 1.195 316 A CA 1.335 53.493 52.037 0.202 0.000 0.622 316 A CB -1.256 17.828 19.000 0.139 0.000 0.831 316 A HN 0.627 nan 8.150 nan 0.000 0.444 317 P HA -0.083 nan 4.420 nan 0.000 0.218 317 P C 1.619 178.904 177.300 -0.025 0.000 1.149 317 P CA 1.416 64.491 63.100 -0.043 0.000 0.817 317 P CB -0.271 31.342 31.700 -0.146 0.000 0.785 318 V N 0.437 120.385 119.914 0.056 0.000 2.295 318 V HA -0.214 3.959 4.120 0.089 0.000 0.246 318 V C 2.798 178.867 176.094 -0.040 0.000 1.049 318 V CA 1.575 63.905 62.300 0.050 0.000 1.024 318 V CB -1.267 30.612 31.823 0.093 0.000 0.648 318 V HN 0.012 nan 8.190 nan 0.000 0.447 319 L N -0.745 120.427 121.223 -0.084 0.000 2.046 319 L HA -0.181 4.213 4.340 0.089 0.000 0.208 319 L C 2.444 179.216 176.870 -0.163 0.000 1.077 319 L CA 1.471 56.192 54.840 -0.199 0.000 0.747 319 L CB -0.581 41.248 42.059 -0.384 0.000 0.896 319 L HN 0.306 nan 8.230 nan 0.000 0.432 320 L N -0.305 120.856 121.223 -0.104 0.000 2.046 320 L HA -0.211 4.183 4.340 0.089 0.000 0.208 320 L C 2.917 179.777 176.870 -0.016 0.000 1.077 320 L CA 1.202 56.020 54.840 -0.036 0.000 0.747 320 L CB -0.757 41.266 42.059 -0.060 0.000 0.896 320 L HN 0.253 nan 8.230 nan 0.000 0.432 321 A N 0.163 122.952 122.820 -0.051 0.000 1.902 321 A HA -0.172 4.201 4.320 0.089 0.000 0.217 321 A C 2.249 179.791 177.584 -0.070 0.000 1.181 321 A CA 1.478 53.471 52.037 -0.075 0.000 0.623 321 A CB -0.687 18.256 19.000 -0.094 0.000 0.818 321 A HN 0.358 nan 8.150 nan 0.000 0.443 322 L N -0.791 120.393 121.223 -0.065 0.000 2.093 322 L HA -0.150 4.244 4.340 0.089 0.000 0.208 322 L C 2.542 179.416 176.870 0.007 0.000 1.085 322 L CA 0.894 55.703 54.840 -0.051 0.000 0.755 322 L CB -0.509 41.499 42.059 -0.086 0.000 0.904 322 L HN 0.366 nan 8.230 nan 0.000 0.435 323 L N -0.502 120.726 121.223 0.009 0.000 2.046 323 L HA -0.144 4.249 4.340 0.089 0.000 0.208 323 L C 2.681 179.658 176.870 0.179 0.000 1.077 323 L CA 1.402 56.284 54.840 0.070 0.000 0.747 323 L CB -1.140 41.011 42.059 0.153 0.000 0.896 323 L HN 0.306 nan 8.230 nan 0.000 0.432 324 G N 0.347 109.273 108.800 0.210 0.000 2.446 324 G HA2 -0.228 3.785 3.960 0.089 0.000 0.217 324 G HA3 -0.228 3.785 3.960 0.089 0.000 0.217 324 G C 1.525 176.593 174.900 0.279 0.000 1.168 324 G CA 0.575 45.837 45.100 0.271 0.000 0.771 324 G HN 0.164 nan 8.290 nan 0.000 0.551 325 I N -0.106 120.568 120.570 0.174 0.000 2.163 325 I HA -0.166 4.058 4.170 0.089 0.000 0.243 325 I C 2.441 178.753 176.117 0.324 0.000 1.085 325 I CA 0.948 62.381 61.300 0.221 0.000 1.347 325 I CB -1.135 36.903 38.000 0.063 0.000 1.044 325 I HN 0.483 nan 8.210 nan 0.000 0.408 326 W N 1.463 122.782 121.300 0.032 0.000 2.318 326 W HA -0.322 4.391 4.660 0.088 0.000 0.313 326 W C 2.535 179.119 176.519 0.108 0.000 1.221 326 W CA 1.578 58.914 57.345 -0.016 0.000 1.266 326 W CB -0.445 28.886 29.460 -0.216 0.000 1.150 326 W HN 0.102 nan 8.180 nan 0.000 0.496 327 Y N 0.239 120.726 120.300 0.312 0.000 2.263 327 Y HA -0.111 4.492 4.550 0.088 0.000 0.292 327 Y C 2.447 178.462 175.900 0.192 0.000 1.130 327 Y CA 1.352 59.567 58.100 0.193 0.000 1.179 327 Y CB -1.112 37.454 38.460 0.176 0.000 0.998 327 Y HN -0.094 nan 8.280 nan 0.000 0.532 328 I N -0.153 120.641 120.570 0.374 0.000 2.235 328 I HA -0.256 3.968 4.170 0.089 0.000 0.241 328 I C 1.303 177.567 176.117 0.245 0.000 1.085 328 I CA 1.621 63.110 61.300 0.315 0.000 1.378 328 I CB -0.265 37.981 38.000 0.410 0.000 1.076 328 I HN 0.157 nan 8.210 nan 0.000 0.415 329 N N -1.141 117.727 118.700 0.280 0.000 2.392 329 N HA 0.014 4.808 4.740 0.089 0.000 0.177 329 N C 1.387 176.984 175.510 0.145 0.000 1.066 329 N CA 0.378 53.600 53.050 0.286 0.000 0.895 329 N CB 0.304 39.052 38.487 0.435 0.000 0.988 329 N HN 0.303 nan 8.380 nan 0.000 0.457 330 C N -1.272 117.971 119.300 -0.094 0.000 2.406 330 C HA 0.212 4.726 4.460 0.089 0.000 0.343 330 C C 1.834 176.308 174.990 -0.859 0.000 1.397 330 C CA -0.196 58.443 59.018 -0.631 0.000 2.069 330 C CB -0.842 26.291 27.740 -1.012 0.000 2.374 330 C HN 0.406 nan 8.230 nan 0.000 0.545 331 Y N 1.322 121.339 120.300 -0.472 0.000 2.475 331 Y HA 0.242 4.845 4.550 0.088 0.000 0.289 331 Y C 2.136 178.022 175.900 -0.024 0.000 1.121 331 Y CA 1.296 59.301 58.100 -0.157 0.000 1.257 331 Y CB -0.298 38.175 38.460 0.022 0.000 1.026 331 Y HN 0.445 nan 8.280 nan 0.000 0.555 332 G N -0.232 108.648 108.800 0.133 0.000 2.160 332 G HA2 -0.292 3.721 3.960 0.089 0.000 0.244 332 G HA3 -0.292 3.721 3.960 0.089 0.000 0.244 332 G C -0.229 174.751 174.900 0.134 0.000 1.022 332 G CA -0.082 45.088 45.100 0.116 0.000 0.741 332 G HN 0.292 nan 8.290 nan 0.000 0.508 333 C N 0.615 120.022 119.300 0.179 0.000 2.627 333 C HA 0.321 4.835 4.460 0.089 0.000 0.404 333 C C 1.852 176.928 174.990 0.143 0.000 1.340 333 C CA -0.135 58.973 59.018 0.150 0.000 1.758 333 C CB 0.392 28.225 27.740 0.155 0.000 2.501 333 C HN 0.631 nan 8.230 nan 0.000 0.588 334 E N 0.706 120.967 120.200 0.102 0.000 2.208 334 E HA -0.082 4.322 4.350 0.089 0.000 0.193 334 E C 1.161 177.837 176.600 0.126 0.000 0.988 334 E CA 1.039 57.489 56.400 0.084 0.000 0.828 334 E CB 0.261 29.982 29.700 0.034 0.000 0.763 334 E HN 0.898 nan 8.360 nan 0.000 0.478 335 T N -2.273 112.385 114.554 0.174 0.000 2.930 335 T HA 0.435 4.838 4.350 0.089 0.000 0.290 335 T C -1.064 173.832 174.700 0.328 0.000 1.052 335 T CA -0.901 61.365 62.100 0.277 0.000 1.017 335 T CB 2.153 71.235 68.868 0.356 0.000 1.137 335 T HN 0.046 nan 8.240 nan 0.000 0.511 336 H N -0.061 119.143 119.070 0.223 0.000 2.924 336 H HA 0.653 5.263 4.556 0.089 0.000 0.333 336 H C -0.793 174.465 175.328 -0.117 0.000 0.979 336 H CA -0.217 55.883 56.048 0.087 0.000 1.326 336 H CB 1.214 31.042 29.762 0.111 0.000 1.600 336 H HN 1.067 nan 8.280 nan 0.000 0.520 337 A N 5.794 128.228 122.820 -0.644 0.000 2.290 337 A HA 0.532 4.905 4.320 0.089 0.000 0.310 337 A C -0.913 176.305 177.584 -0.610 0.000 1.202 337 A CA -0.691 50.790 52.037 -0.927 0.000 0.837 337 A CB 0.368 18.677 19.000 -1.151 0.000 1.139 337 A HN 0.704 nan 8.150 nan 0.000 0.509 338 L N 3.344 124.326 121.223 -0.401 0.000 2.298 338 L HA 0.426 4.819 4.340 0.089 0.000 0.284 338 L C -0.860 175.946 176.870 -0.106 0.000 1.013 338 L CA -0.125 54.635 54.840 -0.133 0.000 0.824 338 L CB 1.111 43.189 42.059 0.032 0.000 1.221 338 L HN 0.617 nan 8.230 nan 0.000 0.418 339 L N 5.911 127.070 121.223 -0.105 0.000 2.495 339 L HA 0.368 4.762 4.340 0.089 0.000 0.248 339 L C -2.344 174.607 176.870 0.134 0.000 1.229 339 L CA -1.561 53.218 54.840 -0.100 0.000 0.942 339 L CB 1.153 42.939 42.059 -0.456 0.000 1.242 339 L HN 0.338 nan 8.230 nan 0.000 0.484 340 P HA 0.050 nan 4.420 nan 0.000 0.282 340 P C -0.891 176.572 177.300 0.271 0.000 1.262 340 P CA -0.155 63.098 63.100 0.254 0.000 0.773 340 P CB 0.665 32.443 31.700 0.130 0.000 0.879 341 Y N 2.202 122.604 120.300 0.169 0.000 2.735 341 Y HA 0.309 4.912 4.550 0.089 0.000 0.354 341 Y C 0.278 176.236 175.900 0.097 0.000 1.288 341 Y CA 0.221 58.407 58.100 0.144 0.000 1.836 341 Y CB -0.309 38.283 38.460 0.221 0.000 1.920 341 Y HN 0.391 nan 8.280 nan 0.000 0.438 342 D N -0.391 120.093 120.400 0.141 0.000 2.484 342 D HA 0.074 4.767 4.640 0.089 0.000 0.206 342 D C 0.570 176.930 176.300 0.100 0.000 1.322 342 D CA -0.244 53.840 54.000 0.140 0.000 0.913 342 D CB 1.010 41.929 40.800 0.199 0.000 1.559 342 D HN 0.056 nan 8.370 nan 0.000 0.565 343 Q N 2.207 122.013 119.800 0.010 0.000 2.124 343 Q HA -0.129 4.265 4.340 0.089 0.000 0.202 343 Q C 0.897 176.940 176.000 0.071 0.000 0.977 343 Q CA 1.739 57.516 55.803 -0.043 0.000 0.850 343 Q CB -0.167 28.451 28.738 -0.199 0.000 0.901 343 Q HN 0.781 nan 8.270 nan 0.000 0.429 344 Y N -0.897 119.484 120.300 0.136 0.000 2.256 344 Y HA -0.150 4.453 4.550 0.089 0.000 0.288 344 Y C 1.541 177.573 175.900 0.220 0.000 1.155 344 Y CA 0.662 58.870 58.100 0.180 0.000 1.203 344 Y CB 0.012 38.554 38.460 0.138 0.000 0.980 344 Y HN 0.130 nan 8.280 nan 0.000 0.530 345 M N 0.371 120.163 119.600 0.321 0.000 2.654 345 M HA -0.022 4.512 4.480 0.089 0.000 0.217 345 M C 1.235 177.674 176.300 0.230 0.000 1.183 345 M CA 0.347 55.781 55.300 0.224 0.000 0.991 345 M CB -0.471 32.201 32.600 0.120 0.000 1.749 345 M HN 0.468 nan 8.290 nan 0.000 0.475 346 H N -1.285 117.862 119.070 0.130 0.000 2.518 346 H HA 0.022 4.632 4.556 0.090 0.000 0.289 346 H C 1.440 176.833 175.328 0.108 0.000 1.051 346 H CA 0.818 56.926 56.048 0.100 0.000 1.280 346 H CB 0.096 29.893 29.762 0.059 0.000 1.380 346 H HN 0.119 nan 8.280 nan 0.000 0.566 347 R N -0.422 119.902 120.500 -0.294 0.000 2.509 347 R HA 0.097 4.490 4.340 0.089 0.000 0.300 347 R C 0.771 177.065 176.300 -0.011 0.000 0.985 347 R CA -0.241 55.727 56.100 -0.220 0.000 1.092 347 R CB -0.785 29.280 30.300 -0.391 0.000 1.237 347 R HN 0.353 nan 8.270 nan 0.000 0.546 348 F N 1.864 121.788 119.950 -0.043 0.000 2.102 348 F HA -0.160 4.423 4.527 0.093 0.000 0.298 348 F C 2.134 178.007 175.800 0.122 0.000 1.105 348 F CA 1.732 59.761 58.000 0.048 0.000 1.239 348 F CB -0.058 39.002 39.000 0.099 0.000 0.991 348 F HN 0.101 nan 8.300 nan 0.000 0.474 349 A N 0.245 123.179 122.820 0.191 0.000 1.902 349 A HA -0.094 4.280 4.320 0.089 0.000 0.217 349 A C 2.390 179.982 177.584 0.013 0.000 1.181 349 A CA 1.842 53.930 52.037 0.085 0.000 0.623 349 A CB -1.581 17.476 19.000 0.095 0.000 0.818 349 A HN 0.485 nan 8.150 nan 0.000 0.443 350 A N -1.575 121.246 122.820 0.001 0.000 1.933 350 A HA -0.125 4.249 4.320 0.089 0.000 0.218 350 A C 2.128 179.642 177.584 -0.117 0.000 1.175 350 A CA 1.702 53.713 52.037 -0.042 0.000 0.628 350 A CB -0.793 18.180 19.000 -0.045 0.000 0.814 350 A HN 0.757 nan 8.150 nan 0.000 0.444 351 Y N -0.782 119.338 120.300 -0.300 0.000 2.145 351 Y HA -0.177 4.429 4.550 0.094 0.000 0.286 351 Y C 1.757 177.309 175.900 -0.580 0.000 1.145 351 Y CA 1.868 59.676 58.100 -0.487 0.000 1.148 351 Y CB -0.412 37.653 38.460 -0.659 0.000 0.981 351 Y HN 0.277 nan 8.280 nan 0.000 0.507 352 F N 0.333 120.071 119.950 -0.355 0.000 2.748 352 F HA -0.088 4.493 4.527 0.090 0.000 0.299 352 F C 2.266 177.899 175.800 -0.278 0.000 1.154 352 F CA 0.596 58.358 58.000 -0.398 0.000 1.446 352 F CB -0.169 38.574 39.000 -0.428 0.000 1.112 352 F HN 0.140 nan 8.300 nan 0.000 0.584 353 Q N 0.086 119.827 119.800 -0.098 0.000 2.061 353 Q HA -0.298 4.096 4.340 0.089 0.000 0.204 353 Q C 2.226 178.141 176.000 -0.141 0.000 0.984 353 Q CA 1.929 57.688 55.803 -0.072 0.000 0.846 353 Q CB -0.287 28.419 28.738 -0.054 0.000 0.902 353 Q HN 0.515 nan 8.270 nan 0.000 0.421 354 Q N -0.247 119.392 119.800 -0.268 0.000 2.016 354 Q HA -0.138 4.256 4.340 0.089 0.000 0.200 354 Q C 2.088 177.882 176.000 -0.344 0.000 0.978 354 Q CA 1.506 57.126 55.803 -0.305 0.000 0.833 354 Q CB -0.332 28.177 28.738 -0.382 0.000 0.895 354 Q HN 0.420 nan 8.270 nan 0.000 0.427 355 G N 0.844 109.329 108.800 -0.526 0.000 2.476 355 G HA2 -0.325 3.688 3.960 0.089 0.000 0.218 355 G HA3 -0.325 3.688 3.960 0.089 0.000 0.218 355 G C 1.231 176.058 174.900 -0.122 0.000 1.164 355 G CA 1.196 46.021 45.100 -0.458 0.000 0.768 355 G HN 0.423 nan 8.290 nan 0.000 0.560 356 D N 0.069 120.472 120.400 0.005 0.000 2.146 356 D HA 0.028 4.722 4.640 0.089 0.000 0.209 356 D C 2.790 179.107 176.300 0.029 0.000 0.973 356 D CA 0.669 54.706 54.000 0.062 0.000 0.860 356 D CB -0.148 40.701 40.800 0.081 0.000 1.015 356 D HN 0.291 nan 8.370 nan 0.000 0.465 357 M N 0.301 119.900 119.600 -0.002 0.000 2.175 357 M HA -0.062 4.471 4.480 0.089 0.000 0.264 357 M C 2.167 178.453 176.300 -0.023 0.000 1.063 357 M CA 1.018 56.317 55.300 -0.002 0.000 1.119 357 M CB -0.124 32.471 32.600 -0.008 0.000 1.377 357 M HN -0.002 nan 8.290 nan 0.000 0.415 358 E N -0.077 120.087 120.200 -0.060 0.000 2.208 358 E HA -0.106 4.297 4.350 0.089 0.000 0.193 358 E C 1.822 178.396 176.600 -0.042 0.000 0.988 358 E CA 0.978 57.341 56.400 -0.062 0.000 0.828 358 E CB 0.274 29.914 29.700 -0.100 0.000 0.763 358 E HN 0.371 nan 8.360 nan 0.000 0.478 359 S N 0.756 116.434 115.700 -0.036 0.000 2.345 359 S HA -0.028 4.495 4.470 0.089 0.000 0.219 359 S C 1.315 175.913 174.600 -0.004 0.000 1.031 359 S CA 0.949 59.131 58.200 -0.029 0.000 0.984 359 S CB 0.004 63.207 63.200 0.004 0.000 0.874 359 S HN 0.268 nan 8.310 nan 0.000 0.451 360 N N 0.501 119.233 118.700 0.054 0.000 2.187 360 N HA 0.181 4.974 4.740 0.089 0.000 0.212 360 N C 0.409 175.949 175.510 0.049 0.000 1.152 360 N CA 0.030 53.154 53.050 0.123 0.000 0.872 360 N CB 0.531 39.206 38.487 0.315 0.000 1.025 360 N HN 0.294 nan 8.380 nan 0.000 0.514 361 G N 1.167 109.980 108.800 0.020 0.000 3.008 361 G HA2 0.134 4.148 3.960 0.089 0.000 0.272 361 G HA3 0.134 4.148 3.960 0.089 0.000 0.272 361 G C 0.195 175.111 174.900 0.027 0.000 0.764 361 G CA 0.022 45.119 45.100 -0.005 0.000 2.029 361 G HN -0.123 nan 8.290 nan 0.000 0.587 362 K N 0.400 120.820 120.400 0.034 0.000 2.444 362 K HA 0.332 4.705 4.320 0.089 0.000 0.252 362 K C -0.442 176.244 176.600 0.144 0.000 0.993 362 K CA -0.973 55.385 56.287 0.117 0.000 0.847 362 K CB 1.989 34.547 32.500 0.096 0.000 1.340 362 K HN 0.434 nan 8.250 nan 0.000 0.446 363 Y N -1.431 118.848 120.300 -0.035 0.000 2.590 363 Y HA 0.410 5.008 4.550 0.080 0.000 0.263 363 Y C -0.139 175.736 175.900 -0.041 0.000 1.069 363 Y CA -0.562 57.493 58.100 -0.075 0.000 1.242 363 Y CB 0.853 39.267 38.460 -0.076 0.000 1.357 363 Y HN 0.148 nan 8.280 nan 0.000 0.556 364 I N 3.232 123.617 120.570 -0.309 0.000 2.404 364 I HA 0.302 4.525 4.170 0.089 0.000 0.293 364 I C 0.478 176.578 176.117 -0.029 0.000 0.992 364 I CA -0.656 60.485 61.300 -0.265 0.000 1.149 364 I CB 1.594 39.397 38.000 -0.328 0.000 1.315 364 I HN 0.303 nan 8.210 nan 0.000 0.446 365 T N 1.699 116.253 114.554 0.001 0.000 2.862 365 T HA 0.294 4.697 4.350 0.089 0.000 0.276 365 T C 1.070 175.828 174.700 0.097 0.000 0.974 365 T CA -0.612 61.539 62.100 0.086 0.000 0.966 365 T CB 1.673 70.582 68.868 0.068 0.000 1.072 365 T HN 0.644 nan 8.240 nan 0.000 0.538 366 K N 0.125 120.561 120.400 0.061 0.000 2.152 366 K HA -0.124 4.250 4.320 0.089 0.000 0.206 366 K C 2.268 178.770 176.600 -0.163 0.000 1.048 366 K CA 1.560 57.720 56.287 -0.212 0.000 0.933 366 K CB -0.430 31.845 32.500 -0.376 0.000 0.721 366 K HN 0.720 nan 8.250 nan 0.000 0.447 367 S N -1.400 114.258 115.700 -0.070 0.000 2.561 367 S HA 0.081 4.605 4.470 0.089 0.000 0.225 367 S C 1.341 175.920 174.600 -0.034 0.000 0.977 367 S CA 0.632 58.800 58.200 -0.052 0.000 0.926 367 S CB 0.247 63.431 63.200 -0.027 0.000 0.769 367 S HN 0.522 nan 8.310 nan 0.000 0.533 368 G N 0.568 109.354 108.800 -0.024 0.000 2.175 368 G HA2 -0.102 3.911 3.960 0.089 0.000 0.244 368 G HA3 -0.102 3.911 3.960 0.089 0.000 0.244 368 G C 0.244 175.119 174.900 -0.043 0.000 0.982 368 G CA -0.082 45.001 45.100 -0.028 0.000 0.641 368 G HN 1.311 nan 8.290 nan 0.000 0.527 369 A N 0.495 123.296 122.820 -0.031 0.000 2.425 369 A HA 0.656 5.030 4.320 0.089 0.000 0.249 369 A C 0.859 178.405 177.584 -0.064 0.000 1.084 369 A CA 0.168 52.185 52.037 -0.032 0.000 0.781 369 A CB 0.317 19.313 19.000 -0.006 0.000 1.019 369 A HN 0.578 nan 8.150 nan 0.000 0.490 370 R N 1.719 122.176 120.500 -0.071 0.000 2.491 370 R HA 0.277 4.670 4.340 0.089 0.000 0.283 370 R C 0.171 176.423 176.300 -0.079 0.000 1.072 370 R CA -0.048 55.999 56.100 -0.089 0.000 1.048 370 R CB 0.293 30.580 30.300 -0.023 0.000 0.983 370 R HN 0.750 nan 8.270 nan 0.000 0.450 371 V N 1.706 121.537 119.914 -0.138 0.000 2.763 371 V HA 0.022 4.196 4.120 0.089 0.000 0.306 371 V C 0.354 176.303 176.094 -0.243 0.000 1.059 371 V CA -0.143 61.966 62.300 -0.318 0.000 1.138 371 V CB 1.021 32.471 31.823 -0.622 0.000 0.940 371 V HN 0.903 nan 8.190 nan 0.000 0.489 372 D N 1.877 122.156 120.400 -0.202 0.000 2.670 372 D HA 0.244 4.938 4.640 0.089 0.000 0.255 372 D C -0.015 176.296 176.300 0.018 0.000 1.286 372 D CA 0.012 53.982 54.000 -0.050 0.000 0.830 372 D CB -0.511 40.313 40.800 0.041 0.000 1.065 372 D HN 1.049 nan 8.370 nan 0.000 0.486 373 H N -3.689 115.361 119.070 -0.033 0.000 2.990 373 H HA 0.491 5.101 4.556 0.090 0.000 0.336 373 H C -0.702 174.540 175.328 -0.142 0.000 1.306 373 H CA -1.040 54.976 56.048 -0.052 0.000 1.118 373 H CB 0.422 30.147 29.762 -0.062 0.000 1.856 373 H HN -0.299 nan 8.280 nan 0.000 0.538 374 Q N 0.857 120.662 119.800 0.009 0.000 2.373 374 Q HA 0.276 4.669 4.340 0.089 0.000 0.255 374 Q C 0.309 176.015 176.000 -0.490 0.000 0.980 374 Q CA 0.671 56.376 55.803 -0.163 0.000 0.882 374 Q CB 1.567 30.269 28.738 -0.061 0.000 1.249 374 Q HN 0.977 nan 8.270 nan 0.000 0.438 375 T N -2.216 111.920 114.554 -0.697 0.000 2.747 375 T HA 0.532 4.936 4.350 0.089 0.000 0.236 375 T C 0.612 174.687 174.700 -1.041 0.000 1.046 375 T CA -0.235 61.022 62.100 -1.406 0.000 1.054 375 T CB -0.408 67.980 68.868 -0.800 0.000 2.287 375 T HN 0.576 nan 8.240 nan 0.000 0.523 376 G N 3.083 111.544 108.800 -0.564 0.000 2.414 376 G HA2 0.465 4.478 3.960 0.089 0.000 0.236 376 G HA3 0.465 4.478 3.960 0.089 0.000 0.236 376 G C -2.240 172.661 174.900 0.002 0.000 1.293 376 G CA -0.704 44.365 45.100 -0.051 0.000 0.869 376 G HN 0.678 nan 8.290 nan 0.000 0.556 377 P HA 0.350 nan 4.420 nan 0.000 0.278 377 P C -0.218 177.154 177.300 0.120 0.000 1.266 377 P CA -0.734 62.446 63.100 0.132 0.000 0.807 377 P CB 1.383 33.213 31.700 0.216 0.000 1.094 378 I N 0.597 121.242 120.570 0.125 0.000 2.396 378 I HA 0.099 4.323 4.170 0.089 0.000 0.289 378 I C 0.312 176.582 176.117 0.255 0.000 1.056 378 I CA -0.374 61.004 61.300 0.130 0.000 1.365 378 I CB 0.669 38.708 38.000 0.064 0.000 1.407 378 I HN -0.026 nan 8.210 nan 0.000 0.509 379 V N 7.533 127.579 119.914 0.220 0.000 2.481 379 V HA 0.481 4.654 4.120 0.089 0.000 0.286 379 V C -0.309 175.961 176.094 0.293 0.000 1.042 379 V CA -0.277 62.167 62.300 0.239 0.000 0.928 379 V CB 1.186 33.094 31.823 0.141 0.000 0.986 379 V HN 0.826 nan 8.190 nan 0.000 0.462 380 W N 2.688 123.980 121.300 -0.013 0.000 2.959 380 W HA 0.831 5.543 4.660 0.087 0.000 0.358 380 W C -0.297 176.188 176.519 -0.057 0.000 1.228 380 W CA -0.625 56.684 57.345 -0.060 0.000 1.183 380 W CB 1.230 30.616 29.460 -0.124 0.000 1.467 380 W HN 1.067 nan 8.180 nan 0.000 0.578 381 G N 0.783 109.564 108.800 -0.031 0.000 2.345 381 G HA2 0.340 4.353 3.960 0.089 0.000 0.310 381 G HA3 0.340 4.353 3.960 0.089 0.000 0.310 381 G C -2.020 172.963 174.900 0.138 0.000 1.476 381 G CA -0.915 44.081 45.100 -0.173 0.000 0.978 381 G HN 0.533 nan 8.290 nan 0.000 0.656 382 E N 0.153 120.524 120.200 0.285 0.000 2.367 382 E HA 0.558 4.962 4.350 0.089 0.000 0.273 382 E C -2.562 174.111 176.600 0.122 0.000 0.903 382 E CA -1.493 55.056 56.400 0.248 0.000 0.764 382 E CB 2.968 32.875 29.700 0.345 0.000 1.252 382 E HN 0.385 nan 8.360 nan 0.000 0.446 383 P HA 0.073 nan 4.420 nan 0.000 0.268 383 P C 0.098 177.239 177.300 -0.266 0.000 1.205 383 P CA -0.112 62.962 63.100 -0.043 0.000 0.771 383 P CB 0.484 32.196 31.700 0.021 0.000 0.858 384 G N 0.970 109.395 108.800 -0.624 0.000 2.467 384 G HA2 0.309 4.322 3.960 0.089 0.000 0.257 384 G HA3 0.309 4.322 3.960 0.089 0.000 0.257 384 G C 0.999 175.468 174.900 -0.718 0.000 1.227 384 G CA -0.331 44.024 45.100 -1.241 0.000 0.835 384 G HN 0.539 nan 8.290 nan 0.000 0.556 385 T N -0.796 113.488 114.554 -0.449 0.000 3.169 385 T HA 0.026 4.430 4.350 0.089 0.000 0.250 385 T C 1.567 175.995 174.700 -0.453 0.000 1.111 385 T CA 0.038 61.841 62.100 -0.494 0.000 1.010 385 T CB -0.066 68.671 68.868 -0.218 0.000 0.984 385 T HN 0.471 nan 8.240 nan 0.000 0.537 386 N N 2.009 120.531 118.700 -0.296 0.000 2.084 386 N HA -0.083 4.710 4.740 0.089 0.000 0.190 386 N C 2.229 177.556 175.510 -0.304 0.000 1.030 386 N CA 1.638 54.577 53.050 -0.185 0.000 0.849 386 N CB -0.554 37.879 38.487 -0.089 0.000 1.012 386 N HN 0.606 nan 8.380 nan 0.000 0.423 387 G N 1.069 109.633 108.800 -0.393 0.000 2.422 387 G HA2 -0.283 3.731 3.960 0.089 0.000 0.218 387 G HA3 -0.283 3.731 3.960 0.089 0.000 0.218 387 G C 1.401 175.539 174.900 -1.269 0.000 1.146 387 G CA 0.449 45.120 45.100 -0.714 0.000 0.769 387 G HN 0.371 nan 8.290 nan 0.000 0.547 388 Q N -0.367 118.614 119.800 -1.365 0.000 2.112 388 Q HA -0.191 4.203 4.340 0.089 0.000 0.206 388 Q C 1.735 177.106 176.000 -1.048 0.000 0.987 388 Q CA 1.322 55.989 55.803 -1.893 0.000 0.858 388 Q CB -0.111 27.815 28.738 -1.353 0.000 0.905 388 Q HN 0.605 nan 8.270 nan 0.000 0.420 389 H N -1.768 117.013 119.070 -0.480 0.000 2.526 389 H HA 0.252 4.862 4.556 0.089 0.000 0.274 389 H C 0.789 176.010 175.328 -0.178 0.000 0.999 389 H CA 0.662 56.560 56.048 -0.249 0.000 1.157 389 H CB 0.577 30.235 29.762 -0.173 0.000 1.407 389 H HN 0.352 nan 8.280 nan 0.000 0.568 390 A N 0.461 123.163 122.820 -0.196 0.000 2.011 390 A HA 0.127 4.501 4.320 0.089 0.000 0.204 390 A C 1.197 178.841 177.584 0.100 0.000 1.520 390 A CA 0.279 52.295 52.037 -0.035 0.000 0.819 390 A CB -0.137 18.877 19.000 0.024 0.000 1.087 390 A HN 0.245 nan 8.150 nan 0.000 0.526 391 F N -4.118 115.972 119.950 0.232 0.000 2.798 391 F HA 0.471 5.052 4.527 0.091 0.000 0.328 391 F C 1.032 177.082 175.800 0.416 0.000 1.098 391 F CA -0.904 57.276 58.000 0.300 0.000 1.172 391 F CB -0.154 39.048 39.000 0.336 0.000 1.072 391 F HN 0.052 nan 8.300 nan 0.000 0.555 392 Y N 1.767 122.130 120.300 0.105 0.000 2.421 392 Y HA -0.133 4.470 4.550 0.089 0.000 0.292 392 Y C 2.669 178.781 175.900 0.352 0.000 1.136 392 Y CA 1.235 59.489 58.100 0.256 0.000 1.255 392 Y CB -0.940 37.642 38.460 0.203 0.000 0.991 392 Y HN 0.334 nan 8.280 nan 0.000 0.552 393 Q N 0.761 120.810 119.800 0.415 0.000 2.096 393 Q HA -0.237 4.156 4.340 0.089 0.000 0.208 393 Q C 2.195 178.357 176.000 0.270 0.000 0.993 393 Q CA 2.118 58.104 55.803 0.306 0.000 0.862 393 Q CB -0.840 28.019 28.738 0.202 0.000 0.915 393 Q HN 0.610 nan 8.270 nan 0.000 0.416 394 L N -0.687 120.696 121.223 0.268 0.000 2.093 394 L HA -0.039 4.355 4.340 0.089 0.000 0.208 394 L C 2.148 179.126 176.870 0.180 0.000 1.085 394 L CA 1.047 56.004 54.840 0.195 0.000 0.755 394 L CB -0.149 42.017 42.059 0.179 0.000 0.904 394 L HN 0.365 nan 8.230 nan 0.000 0.435 395 I N -1.092 119.607 120.570 0.215 0.000 2.286 395 I HA -0.291 3.932 4.170 0.089 0.000 0.248 395 I C 2.337 178.454 176.117 -0.001 0.000 1.115 395 I CA 0.999 62.341 61.300 0.071 0.000 1.392 395 I CB -0.687 37.282 38.000 -0.051 0.000 1.065 395 I HN 0.362 nan 8.210 nan 0.000 0.418 396 H N 0.477 119.644 119.070 0.162 0.000 2.403 396 H HA 0.050 4.660 4.556 0.089 0.000 0.298 396 H C 1.227 176.608 175.328 0.089 0.000 1.059 396 H CA 1.112 57.278 56.048 0.196 0.000 1.363 396 H CB 0.341 30.321 29.762 0.364 0.000 1.410 396 H HN 0.463 nan 8.280 nan 0.000 0.528 397 Q N -0.094 119.794 119.800 0.147 0.000 2.057 397 Q HA 0.212 4.605 4.340 0.089 0.000 0.216 397 Q C 0.695 176.707 176.000 0.021 0.000 0.788 397 Q CA -0.296 55.510 55.803 0.005 0.000 1.053 397 Q CB 1.951 30.619 28.738 -0.118 0.000 1.210 397 Q HN 0.216 nan 8.270 nan 0.000 0.455 398 G N 0.392 109.224 108.800 0.053 0.000 2.509 398 G HA2 0.186 4.199 3.960 0.089 0.000 0.269 398 G HA3 0.186 4.199 3.960 0.089 0.000 0.269 398 G C 0.641 175.557 174.900 0.026 0.000 1.416 398 G CA 0.173 45.297 45.100 0.040 0.000 1.052 398 G HN 0.168 nan 8.290 nan 0.000 0.542 399 T N -2.622 111.944 114.554 0.021 0.000 3.182 399 T HA 0.415 4.819 4.350 0.089 0.000 0.277 399 T C 0.223 174.935 174.700 0.020 0.000 1.013 399 T CA -0.277 61.833 62.100 0.017 0.000 0.900 399 T CB 0.189 69.064 68.868 0.011 0.000 1.098 399 T HN 0.175 nan 8.240 nan 0.000 0.543 400 K N 1.487 121.901 120.400 0.022 0.000 2.207 400 K HA 0.594 4.968 4.320 0.089 0.000 0.255 400 K C -0.756 175.857 176.600 0.022 0.000 0.941 400 K CA -0.635 55.666 56.287 0.023 0.000 0.825 400 K CB 1.980 34.491 32.500 0.018 0.000 1.119 400 K HN 0.227 nan 8.250 nan 0.000 0.430 401 M N 4.704 124.314 119.600 0.017 0.000 2.108 401 M HA 0.411 4.945 4.480 0.089 0.000 0.354 401 M C -1.276 175.008 176.300 -0.026 0.000 1.229 401 M CA -0.278 55.008 55.300 -0.024 0.000 1.081 401 M CB 0.303 32.883 32.600 -0.033 0.000 1.606 401 M HN 0.555 nan 8.290 nan 0.000 0.467 402 I N 7.840 128.377 120.570 -0.055 0.000 2.521 402 I HA 0.354 4.577 4.170 0.089 0.000 0.277 402 I C -2.273 173.762 176.117 -0.135 0.000 1.054 402 I CA -1.908 59.381 61.300 -0.017 0.000 1.117 402 I CB 1.457 39.516 38.000 0.099 0.000 1.217 402 I HN 0.474 nan 8.210 nan 0.000 0.469 403 P HA 0.077 nan 4.420 nan 0.000 0.264 403 P C -0.865 176.275 177.300 -0.267 0.000 1.193 403 P CA -0.066 62.877 63.100 -0.262 0.000 0.763 403 P CB 0.396 32.003 31.700 -0.155 0.000 0.810 404 C N 3.119 122.306 119.300 -0.187 0.000 2.455 404 C HA 0.383 4.897 4.460 0.089 0.000 0.320 404 C C -0.308 174.674 174.990 -0.013 0.000 1.226 404 C CA -0.427 58.468 59.018 -0.206 0.000 1.569 404 C CB 1.308 29.019 27.740 -0.048 0.000 2.200 404 C HN 0.499 nan 8.230 nan 0.000 0.491 405 D N 1.904 122.264 120.400 -0.068 0.000 2.329 405 D HA 0.440 5.133 4.640 0.089 0.000 0.232 405 D C -0.697 175.720 176.300 0.194 0.000 1.088 405 D CA 0.029 54.153 54.000 0.206 0.000 0.835 405 D CB 0.653 41.666 40.800 0.353 0.000 1.078 405 D HN 0.263 nan 8.370 nan 0.000 0.495 406 F N 2.065 122.094 119.950 0.131 0.000 2.410 406 F HA 0.407 4.988 4.527 0.090 0.000 0.349 406 F C 0.033 176.126 175.800 0.488 0.000 1.117 406 F CA -0.651 57.466 58.000 0.195 0.000 1.104 406 F CB 0.798 39.644 39.000 -0.257 0.000 1.122 406 F HN 0.051 nan 8.300 nan 0.000 0.483 407 L N 5.249 126.885 121.223 0.689 0.000 2.381 407 L HA 0.707 5.100 4.340 0.089 0.000 0.268 407 L C -0.824 176.199 176.870 0.256 0.000 0.997 407 L CA -0.449 54.713 54.840 0.537 0.000 0.818 407 L CB 2.338 44.671 42.059 0.456 0.000 1.310 407 L HN 0.560 nan 8.230 nan 0.000 0.416 408 I N 2.854 123.226 120.570 -0.329 0.000 2.787 408 I HA 0.457 4.681 4.170 0.089 0.000 0.294 408 I C -2.744 172.636 176.117 -1.228 0.000 1.365 408 I CA -1.649 59.257 61.300 -0.656 0.000 1.029 408 I CB 3.468 40.863 38.000 -1.009 0.000 1.313 408 I HN 0.396 nan 8.210 nan 0.000 0.431 409 P HA 0.154 nan 4.420 nan 0.000 0.285 409 P C 0.531 177.706 177.300 -0.209 0.000 1.259 409 P CA -0.175 62.578 63.100 -0.577 0.000 0.794 409 P CB 1.917 33.591 31.700 -0.044 0.000 0.940 410 V N 2.661 122.472 119.914 -0.171 0.000 2.295 410 V HA -0.190 3.983 4.120 0.089 0.000 0.246 410 V C 1.309 177.460 176.094 0.096 0.000 1.049 410 V CA 1.805 64.086 62.300 -0.032 0.000 1.024 410 V CB -0.959 30.834 31.823 -0.050 0.000 0.648 410 V HN 0.590 nan 8.190 nan 0.000 0.447 411 Q N 0.090 119.894 119.800 0.007 0.000 2.278 411 Q HA 0.357 4.750 4.340 0.089 0.000 0.257 411 Q C -0.023 175.854 176.000 -0.204 0.000 0.928 411 Q CA -0.097 55.664 55.803 -0.069 0.000 0.932 411 Q CB 1.677 30.399 28.738 -0.027 0.000 1.221 411 Q HN 0.375 nan 8.270 nan 0.000 0.434 412 T N 1.124 115.396 114.554 -0.471 0.000 2.913 412 T HA 0.044 4.447 4.350 0.089 0.000 0.287 412 T C 1.050 175.617 174.700 -0.221 0.000 1.008 412 T CA -0.402 61.413 62.100 -0.475 0.000 1.067 412 T CB 0.849 69.262 68.868 -0.757 0.000 0.996 412 T HN 0.513 nan 8.240 nan 0.000 0.513 413 Q N 1.546 121.258 119.800 -0.146 0.000 2.369 413 Q HA -0.001 4.392 4.340 0.089 0.000 0.206 413 Q C 0.014 175.698 176.000 -0.527 0.000 0.963 413 Q CA 1.097 56.734 55.803 -0.276 0.000 0.894 413 Q CB 0.100 28.720 28.738 -0.197 0.000 0.965 413 Q HN 0.653 nan 8.270 nan 0.000 0.475 414 H N 0.411 119.437 119.070 -0.073 0.000 2.448 414 H HA 0.198 4.807 4.556 0.089 0.000 0.237 414 H C -2.098 173.170 175.328 -0.099 0.000 1.391 414 H CA -1.688 54.311 56.048 -0.082 0.000 1.477 414 H CB 1.097 30.805 29.762 -0.089 0.000 1.520 414 H HN 0.027 nan 8.280 nan 0.000 0.502 415 P HA 0.061 nan 4.420 nan 0.000 0.225 415 P C 0.785 178.092 177.300 0.012 0.000 1.768 415 P CA -0.160 62.932 63.100 -0.013 0.000 0.943 415 P CB -0.822 30.859 31.700 -0.033 0.000 1.936 416 I N -3.140 117.431 120.570 0.003 0.000 3.060 416 I HA 0.228 4.451 4.170 0.089 0.000 0.285 416 I C 0.735 176.878 176.117 0.044 0.000 1.190 416 I CA -0.655 60.636 61.300 -0.015 0.000 1.363 416 I CB 0.082 38.011 38.000 -0.117 0.000 1.396 416 I HN -0.070 nan 8.210 nan 0.000 0.607 417 R N 2.075 122.605 120.500 0.051 0.000 3.416 417 R HA -0.210 4.184 4.340 0.089 0.000 0.263 417 R C 0.039 176.383 176.300 0.073 0.000 1.053 417 R CA 1.024 57.175 56.100 0.086 0.000 0.705 417 R CB -2.060 28.345 30.300 0.175 0.000 1.124 417 R HN 0.928 nan 8.270 nan 0.000 0.444 418 K N -1.430 118.998 120.400 0.047 0.000 3.035 418 K HA -0.291 4.082 4.320 0.089 0.000 0.262 418 K C 0.859 177.488 176.600 0.050 0.000 1.024 418 K CA 1.092 57.402 56.287 0.037 0.000 0.748 418 K CB -1.604 30.913 32.500 0.028 0.000 1.247 418 K HN 0.899 nan 8.250 nan 0.000 0.482 419 G N -0.286 108.556 108.800 0.071 0.000 2.157 419 G HA2 -0.341 3.672 3.960 0.089 0.000 0.248 419 G HA3 -0.341 3.672 3.960 0.089 0.000 0.248 419 G C 0.603 175.578 174.900 0.124 0.000 0.979 419 G CA 0.337 45.495 45.100 0.096 0.000 0.650 419 G HN 0.270 nan 8.290 nan 0.000 0.529 420 L N 0.518 121.814 121.223 0.122 0.000 2.012 420 L HA 0.015 4.409 4.340 0.089 0.000 0.210 420 L C 2.504 179.428 176.870 0.090 0.000 1.073 420 L CA 3.007 57.899 54.840 0.086 0.000 0.748 420 L CB -0.616 41.479 42.059 0.059 0.000 0.891 420 L HN 0.489 nan 8.230 nan 0.000 0.431 421 H N -2.054 117.047 119.070 0.052 0.000 2.321 421 H HA -0.193 4.416 4.556 0.089 0.000 0.300 421 H C 2.127 177.515 175.328 0.100 0.000 1.087 421 H CA 1.866 57.950 56.048 0.061 0.000 1.319 421 H CB -0.058 29.736 29.762 0.054 0.000 1.379 421 H HN 0.505 nan 8.280 nan 0.000 0.501 422 H N 1.145 120.297 119.070 0.137 0.000 2.423 422 H HA -0.050 4.559 4.556 0.089 0.000 0.297 422 H C 2.398 177.749 175.328 0.039 0.000 1.075 422 H CA 1.398 57.489 56.048 0.071 0.000 1.342 422 H CB 0.142 29.929 29.762 0.043 0.000 1.395 422 H HN 0.178 nan 8.280 nan 0.000 0.530 423 K N 0.260 120.690 120.400 0.051 0.000 2.032 423 K HA -0.138 4.235 4.320 0.089 0.000 0.209 423 K C 2.007 178.581 176.600 -0.043 0.000 1.048 423 K CA 1.959 58.235 56.287 -0.019 0.000 0.927 423 K CB -0.206 32.298 32.500 0.007 0.000 0.712 423 K HN 0.315 nan 8.250 nan 0.000 0.441 424 I N 1.039 121.597 120.570 -0.019 0.000 2.226 424 I HA -0.271 3.952 4.170 0.089 0.000 0.245 424 I C 2.403 178.525 176.117 0.009 0.000 1.100 424 I CA 0.550 61.841 61.300 -0.016 0.000 1.374 424 I CB -0.250 37.730 38.000 -0.034 0.000 1.057 424 I HN 0.206 nan 8.210 nan 0.000 0.413 425 L N 0.736 121.965 121.223 0.010 0.000 2.012 425 L HA -0.208 4.185 4.340 0.089 0.000 0.210 425 L C 2.356 179.233 176.870 0.013 0.000 1.073 425 L CA 1.894 56.769 54.840 0.058 0.000 0.748 425 L CB -0.461 41.628 42.059 0.051 0.000 0.891 425 L HN 0.120 nan 8.230 nan 0.000 0.431 426 L N -0.848 120.263 121.223 -0.185 0.000 2.046 426 L HA -0.216 4.177 4.340 0.089 0.000 0.208 426 L C 2.671 179.523 176.870 -0.030 0.000 1.077 426 L CA 1.303 56.037 54.840 -0.177 0.000 0.747 426 L CB -0.912 40.986 42.059 -0.268 0.000 0.896 426 L HN 0.382 nan 8.230 nan 0.000 0.432 427 A N -0.036 122.764 122.820 -0.034 0.000 1.908 427 A HA -0.232 4.142 4.320 0.089 0.000 0.218 427 A C 2.114 179.696 177.584 -0.003 0.000 1.181 427 A CA 1.997 54.021 52.037 -0.022 0.000 0.627 427 A CB -0.633 18.351 19.000 -0.027 0.000 0.818 427 A HN 0.492 nan 8.150 nan 0.000 0.445 428 N N -1.327 117.402 118.700 0.047 0.000 2.142 428 N HA -0.129 4.665 4.740 0.089 0.000 0.186 428 N C 1.624 177.142 175.510 0.014 0.000 1.023 428 N CA 1.511 54.615 53.050 0.090 0.000 0.852 428 N CB -0.390 38.222 38.487 0.208 0.000 0.998 428 N HN 0.561 nan 8.380 nan 0.000 0.424 429 F N 2.258 122.033 119.950 -0.292 0.000 2.091 429 F HA -0.172 4.408 4.527 0.088 0.000 0.299 429 F C 2.101 177.663 175.800 -0.395 0.000 1.103 429 F CA 1.327 58.946 58.000 -0.636 0.000 1.228 429 F CB -0.282 38.375 39.000 -0.571 0.000 0.984 429 F HN -0.076 nan 8.300 nan 0.000 0.477 430 L N -0.220 120.924 121.223 -0.131 0.000 2.072 430 L HA -0.086 4.308 4.340 0.089 0.000 0.205 430 L C 2.830 179.532 176.870 -0.280 0.000 1.079 430 L CA 1.021 55.733 54.840 -0.213 0.000 0.752 430 L CB -1.184 40.837 42.059 -0.064 0.000 0.906 430 L HN 0.220 nan 8.230 nan 0.000 0.436 431 A N -0.747 121.962 122.820 -0.186 0.000 1.933 431 A HA -0.198 4.176 4.320 0.089 0.000 0.218 431 A C 2.285 179.767 177.584 -0.170 0.000 1.175 431 A CA 1.229 53.172 52.037 -0.156 0.000 0.628 431 A CB -0.337 18.609 19.000 -0.090 0.000 0.814 431 A HN 0.373 nan 8.150 nan 0.000 0.444 432 Q N -0.354 119.339 119.800 -0.178 0.000 2.079 432 Q HA -0.140 4.254 4.340 0.089 0.000 0.200 432 Q C 2.443 178.238 176.000 -0.341 0.000 0.974 432 Q CA 2.248 57.996 55.803 -0.091 0.000 0.840 432 Q CB -0.959 27.886 28.738 0.178 0.000 0.898 432 Q HN 0.881 nan 8.270 nan 0.000 0.430 433 T N -1.741 112.390 114.554 -0.705 0.000 2.857 433 T HA -0.113 4.291 4.350 0.089 0.000 0.266 433 T C 1.726 176.195 174.700 -0.385 0.000 1.048 433 T CA 1.262 62.945 62.100 -0.694 0.000 1.139 433 T CB -0.086 68.262 68.868 -0.866 0.000 0.874 433 T HN 0.312 nan 8.240 nan 0.000 0.455 434 E N 1.485 121.484 120.200 -0.336 0.000 2.058 434 E HA -0.138 4.265 4.350 0.089 0.000 0.194 434 E C 2.478 178.969 176.600 -0.181 0.000 0.997 434 E CA 1.187 57.432 56.400 -0.258 0.000 0.801 434 E CB -0.473 29.086 29.700 -0.236 0.000 0.746 434 E HN 0.653 nan 8.360 nan 0.000 0.450 435 A N 0.941 123.680 122.820 -0.136 0.000 1.902 435 A HA -0.156 4.217 4.320 0.089 0.000 0.217 435 A C 2.220 179.826 177.584 0.037 0.000 1.181 435 A CA 1.178 53.176 52.037 -0.064 0.000 0.623 435 A CB -0.687 18.295 19.000 -0.030 0.000 0.818 435 A HN 0.306 nan 8.150 nan 0.000 0.443 436 L N -1.117 120.115 121.223 0.015 0.000 2.083 436 L HA -0.202 4.192 4.340 0.089 0.000 0.209 436 L C 2.862 179.714 176.870 -0.030 0.000 1.083 436 L CA 1.507 56.322 54.840 -0.041 0.000 0.752 436 L CB -0.405 41.539 42.059 -0.191 0.000 0.899 436 L HN 0.496 nan 8.230 nan 0.000 0.433 437 M N 0.104 119.661 119.600 -0.071 0.000 2.077 437 M HA -0.210 4.323 4.480 0.089 0.000 0.261 437 M C 2.289 178.583 176.300 -0.010 0.000 1.070 437 M CA 1.898 57.172 55.300 -0.042 0.000 1.125 437 M CB -0.371 32.165 32.600 -0.106 0.000 1.339 437 M HN 0.136 nan 8.290 nan 0.000 0.409 438 K N -0.624 119.750 120.400 -0.043 0.000 2.076 438 K HA 0.069 4.442 4.320 0.089 0.000 0.204 438 K C 1.028 177.635 176.600 0.013 0.000 1.051 438 K CA 1.066 57.335 56.287 -0.030 0.000 0.949 438 K CB -0.168 32.285 32.500 -0.079 0.000 0.726 438 K HN 0.562 nan 8.250 nan 0.000 0.443 439 G N 1.267 110.083 108.800 0.027 0.000 2.641 439 G HA2 -0.329 3.685 3.960 0.089 0.000 0.254 439 G HA3 -0.329 3.685 3.960 0.089 0.000 0.254 439 G C -0.796 174.127 174.900 0.038 0.000 1.315 439 G CA 0.268 45.426 45.100 0.097 0.000 0.907 439 G HN 0.377 nan 8.290 nan 0.000 0.572 440 K N -0.537 119.944 120.400 0.135 0.000 2.619 440 K HA 0.503 4.876 4.320 0.089 0.000 0.251 440 K C -0.004 176.672 176.600 0.127 0.000 0.987 440 K CA -0.807 55.540 56.287 0.100 0.000 0.844 440 K CB 0.758 33.321 32.500 0.104 0.000 1.237 440 K HN 0.575 nan 8.250 nan 0.000 0.447 441 L N 5.406 126.675 121.223 0.075 0.000 2.452 441 L HA 0.179 4.572 4.340 0.089 0.000 0.267 441 L C -1.476 175.429 176.870 0.059 0.000 1.188 441 L CA -1.718 53.160 54.840 0.063 0.000 0.821 441 L CB 0.452 42.537 42.059 0.043 0.000 1.102 441 L HN 0.547 nan 8.230 nan 0.000 0.470 442 P HA -0.209 nan 4.420 nan 0.000 0.216 442 P C 1.047 178.368 177.300 0.033 0.000 1.154 442 P CA 1.199 64.321 63.100 0.037 0.000 0.865 442 P CB 0.196 31.910 31.700 0.024 0.000 0.789 443 E N -0.353 119.864 120.200 0.028 0.000 2.150 443 E HA -0.172 4.231 4.350 0.089 0.000 0.193 443 E C 1.937 178.551 176.600 0.024 0.000 0.985 443 E CA 1.083 57.497 56.400 0.023 0.000 0.814 443 E CB -0.428 29.283 29.700 0.019 0.000 0.752 443 E HN 0.462 nan 8.360 nan 0.000 0.466 444 E N 0.479 120.696 120.200 0.028 0.000 2.072 444 E HA -0.090 4.313 4.350 0.089 0.000 0.191 444 E C 2.010 178.629 176.600 0.032 0.000 0.985 444 E CA 0.938 57.353 56.400 0.024 0.000 0.801 444 E CB -0.053 29.660 29.700 0.022 0.000 0.750 444 E HN 0.182 nan 8.360 nan 0.000 0.452 445 A N 1.459 124.308 122.820 0.049 0.000 1.930 445 A HA -0.182 4.191 4.320 0.089 0.000 0.217 445 A C 2.083 179.693 177.584 0.044 0.000 1.175 445 A CA 1.303 53.376 52.037 0.060 0.000 0.627 445 A CB -0.402 18.649 19.000 0.085 0.000 0.815 445 A HN 0.064 nan 8.150 nan 0.000 0.443 446 R N 0.038 120.559 120.500 0.035 0.000 2.083 446 R HA -0.166 4.228 4.340 0.089 0.000 0.237 446 R C 2.074 178.387 176.300 0.022 0.000 1.137 446 R CA 1.956 58.072 56.100 0.027 0.000 0.951 446 R CB -0.252 30.062 30.300 0.022 0.000 0.851 446 R HN 0.515 nan 8.270 nan 0.000 0.434 447 K N 0.133 120.544 120.400 0.019 0.000 2.097 447 K HA -0.161 4.212 4.320 0.089 0.000 0.206 447 K C 2.058 178.665 176.600 0.013 0.000 1.049 447 K CA 1.771 58.066 56.287 0.013 0.000 0.933 447 K CB -0.048 32.458 32.500 0.010 0.000 0.717 447 K HN 0.362 nan 8.250 nan 0.000 0.442 448 E N 0.775 120.985 120.200 0.016 0.000 2.077 448 E HA -0.163 4.240 4.350 0.089 0.000 0.193 448 E C 2.070 178.681 176.600 0.018 0.000 0.989 448 E CA 0.943 57.352 56.400 0.015 0.000 0.800 448 E CB -0.055 29.657 29.700 0.020 0.000 0.746 448 E HN 0.220 nan 8.360 nan 0.000 0.452 449 L N 0.588 121.826 121.223 0.024 0.000 2.093 449 L HA -0.207 4.186 4.340 0.089 0.000 0.208 449 L C 2.615 179.495 176.870 0.017 0.000 1.085 449 L CA 1.052 55.906 54.840 0.023 0.000 0.755 449 L CB -0.228 41.849 42.059 0.030 0.000 0.904 449 L HN 0.116 nan 8.230 nan 0.000 0.435 450 Q N -0.326 119.483 119.800 0.015 0.000 2.061 450 Q HA -0.215 4.179 4.340 0.089 0.000 0.204 450 Q C 2.340 178.345 176.000 0.008 0.000 0.984 450 Q CA 2.028 57.837 55.803 0.011 0.000 0.846 450 Q CB -0.214 28.530 28.738 0.010 0.000 0.902 450 Q HN 0.550 nan 8.270 nan 0.000 0.421 451 A N 0.043 122.867 122.820 0.007 0.000 2.015 451 A HA -0.020 4.354 4.320 0.089 0.000 0.219 451 A C 2.073 179.660 177.584 0.004 0.000 1.163 451 A CA 1.341 53.380 52.037 0.004 0.000 0.646 451 A CB -0.562 18.440 19.000 0.003 0.000 0.806 451 A HN 0.421 nan 8.150 nan 0.000 0.448 452 A N -1.616 121.208 122.820 0.006 0.000 2.167 452 A HA 0.384 4.757 4.320 0.089 0.000 0.214 452 A C 1.773 179.360 177.584 0.005 0.000 1.151 452 A CA 1.264 53.304 52.037 0.006 0.000 0.735 452 A CB -0.873 18.132 19.000 0.009 0.000 0.802 452 A HN 1.870 nan 8.150 nan 0.000 0.467 453 G N -0.634 108.170 108.800 0.005 0.000 2.132 453 G HA2 -0.203 3.811 3.960 0.089 0.000 0.228 453 G HA3 -0.203 3.811 3.960 0.089 0.000 0.228 453 G C -0.052 174.851 174.900 0.006 0.000 1.000 453 G CA 0.133 45.236 45.100 0.005 0.000 0.693 453 G HN 0.393 nan 8.290 nan 0.000 0.515 454 K N 1.380 121.785 120.400 0.008 0.000 2.298 454 K HA 0.403 4.777 4.320 0.089 0.000 0.280 454 K C 1.229 177.835 176.600 0.009 0.000 1.032 454 K CA 0.401 56.693 56.287 0.010 0.000 0.958 454 K CB 1.278 33.786 32.500 0.014 0.000 0.978 454 K HN 0.693 nan 8.250 nan 0.000 0.472 455 S N 2.422 118.127 115.700 0.008 0.000 2.584 455 S HA 0.093 4.616 4.470 0.089 0.000 0.270 455 S C -1.679 172.927 174.600 0.010 0.000 1.346 455 S CA -0.976 57.228 58.200 0.008 0.000 1.018 455 S CB 0.692 63.896 63.200 0.007 0.000 0.899 455 S HN 0.288 nan 8.310 nan 0.000 0.542 456 P HA -0.142 nan 4.420 nan 0.000 0.217 456 P C 1.429 178.736 177.300 0.013 0.000 1.151 456 P CA 1.324 64.431 63.100 0.011 0.000 0.849 456 P CB 0.060 31.765 31.700 0.009 0.000 0.787 457 E N -0.763 119.444 120.200 0.012 0.000 2.047 457 E HA -0.175 4.229 4.350 0.089 0.000 0.191 457 E C 1.510 178.120 176.600 0.016 0.000 0.987 457 E CA 1.151 57.559 56.400 0.013 0.000 0.799 457 E CB -0.326 29.380 29.700 0.010 0.000 0.752 457 E HN 0.198 nan 8.360 nan 0.000 0.449 458 D N 0.660 121.068 120.400 0.015 0.000 2.144 458 D HA -0.121 4.572 4.640 0.089 0.000 0.200 458 D C 2.003 178.317 176.300 0.024 0.000 0.978 458 D CA 0.384 54.393 54.000 0.016 0.000 0.833 458 D CB -0.176 40.630 40.800 0.011 0.000 0.961 458 D HN 0.123 nan 8.370 nan 0.000 0.470 459 L N 0.679 121.916 121.223 0.023 0.000 1.994 459 L HA -0.192 4.202 4.340 0.089 0.000 0.208 459 L C 2.160 179.051 176.870 0.035 0.000 1.071 459 L CA 1.583 56.439 54.840 0.028 0.000 0.745 459 L CB -0.043 42.029 42.059 0.022 0.000 0.892 459 L HN -0.162 nan 8.230 nan 0.000 0.431 460 E N 0.177 120.395 120.200 0.029 0.000 2.110 460 E HA -0.238 4.165 4.350 0.089 0.000 0.193 460 E C 2.137 178.763 176.600 0.043 0.000 0.988 460 E CA 1.381 57.799 56.400 0.029 0.000 0.804 460 E CB 0.016 29.729 29.700 0.021 0.000 0.745 460 E HN 0.386 nan 8.360 nan 0.000 0.458 461 K N -0.685 119.746 120.400 0.051 0.000 2.057 461 K HA -0.094 4.280 4.320 0.089 0.000 0.206 461 K C 1.832 178.516 176.600 0.140 0.000 1.050 461 K CA 0.954 57.287 56.287 0.076 0.000 0.935 461 K CB -0.093 32.436 32.500 0.049 0.000 0.715 461 K HN 0.087 nan 8.250 nan 0.000 0.439 462 L N 0.806 122.096 121.223 0.113 0.000 2.307 462 L HA 0.023 4.417 4.340 0.089 0.000 0.211 462 L C 1.777 178.749 176.870 0.168 0.000 1.099 462 L CA 0.850 55.780 54.840 0.151 0.000 0.816 462 L CB -0.348 41.752 42.059 0.068 0.000 0.952 462 L HN 0.064 nan 8.230 nan 0.000 0.455 463 L N 1.397 122.678 121.223 0.095 0.000 1.991 463 L HA -0.172 4.221 4.340 0.089 0.000 0.221 463 L C -0.568 176.319 176.870 0.029 0.000 1.079 463 L CA 2.558 57.433 54.840 0.058 0.000 0.778 463 L CB -1.893 40.187 42.059 0.034 0.000 0.893 463 L HN 0.228 nan 8.230 nan 0.000 0.437 464 P HA -0.191 nan 4.420 nan 0.000 0.218 464 P C 1.232 178.422 177.300 -0.184 0.000 1.149 464 P CA 1.751 64.769 63.100 -0.135 0.000 0.817 464 P CB -0.526 31.038 31.700 -0.228 0.000 0.785 465 H N -0.012 119.039 119.070 -0.031 0.000 2.491 465 H HA 0.052 4.662 4.556 0.089 0.000 0.290 465 H C 1.548 176.827 175.328 -0.082 0.000 1.050 465 H CA 0.901 56.915 56.048 -0.056 0.000 1.309 465 H CB 0.057 29.799 29.762 -0.034 0.000 1.392 465 H HN 0.214 nan 8.280 nan 0.000 0.554 466 K N 1.015 121.459 120.400 0.072 0.000 2.374 466 K HA 0.139 4.512 4.320 0.089 0.000 0.196 466 K C 0.370 177.040 176.600 0.118 0.000 1.023 466 K CA 0.007 56.350 56.287 0.095 0.000 1.103 466 K CB 0.846 33.422 32.500 0.125 0.000 0.848 466 K HN -0.022 nan 8.250 nan 0.000 0.528 467 V N 2.297 122.223 119.914 0.020 0.000 2.530 467 V HA 0.143 4.316 4.120 0.089 0.000 0.282 467 V C -0.180 175.901 176.094 -0.021 0.000 1.048 467 V CA -0.184 62.157 62.300 0.068 0.000 0.997 467 V CB 0.205 32.039 31.823 0.018 0.000 0.987 467 V HN -0.036 nan 8.190 nan 0.000 0.477 468 F N 2.774 122.743 119.950 0.032 0.000 2.402 468 F HA 0.411 4.992 4.527 0.089 0.000 0.355 468 F C 1.271 177.099 175.800 0.047 0.000 1.123 468 F CA -0.644 57.387 58.000 0.052 0.000 1.021 468 F CB 1.497 40.532 39.000 0.059 0.000 1.160 468 F HN 0.564 nan 8.300 nan 0.000 0.451 469 E N 2.249 122.546 120.200 0.163 0.000 2.204 469 E HA 0.089 4.492 4.350 0.089 0.000 0.194 469 E C 1.604 178.279 176.600 0.125 0.000 0.989 469 E CA 0.597 57.065 56.400 0.113 0.000 0.824 469 E CB -0.002 29.738 29.700 0.066 0.000 0.756 469 E HN 0.944 nan 8.360 nan 0.000 0.477 470 G N 1.709 110.608 108.800 0.165 0.000 2.575 470 G HA2 -0.432 3.581 3.960 0.089 0.000 0.267 470 G HA3 -0.432 3.581 3.960 0.089 0.000 0.267 470 G C 0.203 175.151 174.900 0.079 0.000 1.264 470 G CA 0.069 45.245 45.100 0.126 0.000 0.935 470 G HN 0.323 nan 8.290 nan 0.000 0.568 471 N N -1.214 117.525 118.700 0.065 0.000 2.741 471 N HA -0.180 4.613 4.740 0.089 0.000 0.250 471 N C 0.251 175.779 175.510 0.029 0.000 1.115 471 N CA 1.868 54.955 53.050 0.062 0.000 0.724 471 N CB -0.632 37.901 38.487 0.077 0.000 1.090 471 N HN 0.844 nan 8.380 nan 0.000 0.558 472 R N 0.696 121.196 120.500 0.001 0.000 2.207 472 R HA 0.378 4.771 4.340 0.089 0.000 0.334 472 R C -2.167 174.092 176.300 -0.068 0.000 1.013 472 R CA -1.421 54.647 56.100 -0.054 0.000 0.858 472 R CB 1.101 31.358 30.300 -0.071 0.000 1.094 472 R HN 0.159 nan 8.270 nan 0.000 0.457 473 P HA 0.130 nan 4.420 nan 0.000 0.282 473 P C -0.821 176.450 177.300 -0.049 0.000 1.249 473 P CA -0.356 62.723 63.100 -0.036 0.000 0.806 473 P CB 1.687 33.374 31.700 -0.022 0.000 0.984 474 T N -0.941 113.628 114.554 0.025 0.000 2.883 474 T HA 0.485 4.888 4.350 0.089 0.000 0.301 474 T C -0.566 174.225 174.700 0.150 0.000 1.158 474 T CA -0.964 61.171 62.100 0.057 0.000 1.007 474 T CB 0.953 69.779 68.868 -0.070 0.000 1.186 474 T HN 0.283 nan 8.240 nan 0.000 0.499 475 N N 0.188 119.019 118.700 0.218 0.000 2.443 475 N HA 0.607 5.400 4.740 0.089 0.000 0.295 475 N C -1.019 174.642 175.510 0.251 0.000 1.076 475 N CA -0.817 52.394 53.050 0.269 0.000 0.919 475 N CB 1.605 40.288 38.487 0.327 0.000 1.176 475 N HN 0.530 nan 8.380 nan 0.000 0.487 476 S N 1.592 117.437 115.700 0.242 0.000 2.498 476 S HA 0.475 4.998 4.470 0.089 0.000 0.317 476 S C -0.535 174.301 174.600 0.393 0.000 1.090 476 S CA -0.532 57.845 58.200 0.295 0.000 1.089 476 S CB 0.333 63.632 63.200 0.164 0.000 0.997 476 S HN 0.354 nan 8.310 nan 0.000 0.470 477 I N 3.758 124.612 120.570 0.472 0.000 2.382 477 I HA 0.419 4.642 4.170 0.089 0.000 0.285 477 I C -0.853 175.491 176.117 0.378 0.000 1.007 477 I CA -0.619 60.936 61.300 0.425 0.000 1.142 477 I CB 1.401 39.662 38.000 0.435 0.000 1.289 477 I HN 0.242 nan 8.210 nan 0.000 0.453 478 V N 7.016 127.082 119.914 0.253 0.000 2.604 478 V HA 0.586 4.759 4.120 0.089 0.000 0.305 478 V C -0.519 175.616 176.094 0.068 0.000 1.043 478 V CA -0.700 61.559 62.300 -0.067 0.000 0.888 478 V CB 1.547 33.335 31.823 -0.058 0.000 0.995 478 V HN 0.534 nan 8.190 nan 0.000 0.429 479 F N -0.071 119.902 119.950 0.037 0.000 2.599 479 F HA 0.608 5.188 4.527 0.090 0.000 0.311 479 F C 1.151 176.978 175.800 0.045 0.000 1.076 479 F CA -0.859 57.173 58.000 0.054 0.000 0.937 479 F CB 1.131 40.163 39.000 0.054 0.000 1.282 479 F HN 0.292 nan 8.300 nan 0.000 0.460 480 T N -0.576 114.114 114.554 0.226 0.000 2.665 480 T HA -0.141 4.262 4.350 0.089 0.000 0.268 480 T C 0.282 175.054 174.700 0.121 0.000 1.035 480 T CA 1.823 63.999 62.100 0.127 0.000 1.151 480 T CB -0.195 68.752 68.868 0.132 0.000 0.862 480 T HN 0.609 nan 8.240 nan 0.000 0.438 481 K N -0.427 120.109 120.400 0.228 0.000 2.587 481 K HA 0.387 4.760 4.320 0.089 0.000 0.276 481 K C -2.109 174.690 176.600 0.331 0.000 0.956 481 K CA -0.764 55.651 56.287 0.212 0.000 0.857 481 K CB 1.392 33.970 32.500 0.131 0.000 1.431 481 K HN -0.079 nan 8.250 nan 0.000 0.420 482 L N 3.941 125.356 121.223 0.320 0.000 2.399 482 L HA 0.231 4.625 4.340 0.089 0.000 0.257 482 L C -0.239 176.733 176.870 0.169 0.000 1.236 482 L CA 0.303 55.301 54.840 0.262 0.000 1.144 482 L CB -0.184 42.056 42.059 0.301 0.000 1.379 482 L HN 0.679 nan 8.230 nan 0.000 0.414 483 T N 0.656 115.272 114.554 0.104 0.000 2.847 483 T HA 0.433 4.837 4.350 0.089 0.000 0.279 483 T C -1.703 172.899 174.700 -0.164 0.000 0.984 483 T CA -1.699 60.379 62.100 -0.036 0.000 0.988 483 T CB 0.929 69.804 68.868 0.012 0.000 1.040 483 T HN 0.187 nan 8.240 nan 0.000 0.528 484 P HA -0.075 nan 4.420 nan 0.000 0.215 484 P C 1.245 178.501 177.300 -0.073 0.000 1.157 484 P CA 0.896 63.845 63.100 -0.252 0.000 0.874 484 P CB -0.145 31.368 31.700 -0.311 0.000 0.790 485 F N -0.020 119.835 119.950 -0.158 0.000 2.069 485 F HA -0.200 4.381 4.527 0.091 0.000 0.298 485 F C 2.022 177.777 175.800 -0.074 0.000 1.113 485 F CA 1.486 59.424 58.000 -0.104 0.000 1.214 485 F CB -0.504 38.414 39.000 -0.137 0.000 0.978 485 F HN -0.246 nan 8.300 nan 0.000 0.474 486 I N 0.068 120.737 120.570 0.165 0.000 2.252 486 I HA -0.230 3.993 4.170 0.089 0.000 0.245 486 I C 2.416 178.451 176.117 -0.137 0.000 1.102 486 I CA 1.052 62.364 61.300 0.021 0.000 1.385 486 I CB -1.389 36.642 38.000 0.051 0.000 1.064 486 I HN 0.290 nan 8.210 nan 0.000 0.414 487 L N 1.577 122.734 121.223 -0.109 0.000 2.042 487 L HA -0.102 4.292 4.340 0.089 0.000 0.210 487 L C 2.430 179.309 176.870 0.015 0.000 1.076 487 L CA 2.274 57.063 54.840 -0.084 0.000 0.749 487 L CB -1.212 40.809 42.059 -0.063 0.000 0.893 487 L HN 0.208 nan 8.230 nan 0.000 0.432 488 G N -1.108 107.693 108.800 0.001 0.000 2.440 488 G HA2 -0.293 3.720 3.960 0.089 0.000 0.218 488 G HA3 -0.293 3.720 3.960 0.089 0.000 0.218 488 G C 1.603 176.549 174.900 0.077 0.000 1.154 488 G CA 0.913 46.096 45.100 0.139 0.000 0.767 488 G HN 0.657 nan 8.290 nan 0.000 0.552 489 A N 0.440 123.195 122.820 -0.107 0.000 1.902 489 A HA 0.112 4.485 4.320 0.089 0.000 0.217 489 A C 2.456 180.073 177.584 0.055 0.000 1.181 489 A CA 1.297 53.303 52.037 -0.052 0.000 0.623 489 A CB -0.377 18.545 19.000 -0.129 0.000 0.818 489 A HN 0.362 nan 8.150 nan 0.000 0.443 490 L N -0.622 120.627 121.223 0.044 0.000 2.056 490 L HA -0.168 4.226 4.340 0.089 0.000 0.207 490 L C 2.479 179.593 176.870 0.407 0.000 1.078 490 L CA 1.264 56.188 54.840 0.140 0.000 0.749 490 L CB -0.529 41.534 42.059 0.007 0.000 0.901 490 L HN 0.377 nan 8.230 nan 0.000 0.433 491 I N -0.070 120.788 120.570 0.481 0.000 2.179 491 I HA -0.275 3.948 4.170 0.089 0.000 0.242 491 I C 2.822 179.285 176.117 0.577 0.000 1.088 491 I CA 1.210 62.925 61.300 0.692 0.000 1.357 491 I CB -0.553 37.786 38.000 0.564 0.000 1.051 491 I HN 0.184 nan 8.210 nan 0.000 0.409 492 A N 0.535 123.553 122.820 0.330 0.000 1.940 492 A HA -0.268 4.106 4.320 0.089 0.000 0.219 492 A C 2.423 179.988 177.584 -0.032 0.000 1.176 492 A CA 1.885 53.944 52.037 0.037 0.000 0.631 492 A CB -0.685 18.255 19.000 -0.100 0.000 0.814 492 A HN 0.475 nan 8.150 nan 0.000 0.446 493 M N -1.832 117.810 119.600 0.070 0.000 2.080 493 M HA -0.204 4.330 4.480 0.089 0.000 0.260 493 M C 1.997 178.230 176.300 -0.112 0.000 1.068 493 M CA 1.959 57.247 55.300 -0.020 0.000 1.109 493 M CB -0.266 32.286 32.600 -0.080 0.000 1.342 493 M HN 0.527 nan 8.290 nan 0.000 0.405 494 Y N 0.502 120.790 120.300 -0.020 0.000 2.263 494 Y HA -0.170 4.433 4.550 0.089 0.000 0.292 494 Y C 2.262 178.148 175.900 -0.024 0.000 1.130 494 Y CA 1.520 59.500 58.100 -0.200 0.000 1.179 494 Y CB -0.202 37.752 38.460 -0.844 0.000 0.998 494 Y HN 0.350 nan 8.280 nan 0.000 0.532 495 E N -0.636 119.740 120.200 0.295 0.000 2.070 495 E HA -0.251 4.152 4.350 0.089 0.000 0.197 495 E C 1.797 178.519 176.600 0.203 0.000 1.004 495 E CA 1.529 58.127 56.400 0.330 0.000 0.805 495 E CB -0.197 29.656 29.700 0.255 0.000 0.744 495 E HN 0.581 nan 8.360 nan 0.000 0.451 496 H N 0.359 119.462 119.070 0.056 0.000 2.428 496 H HA -0.006 4.603 4.556 0.089 0.000 0.296 496 H C 1.988 177.214 175.328 -0.170 0.000 1.062 496 H CA 0.928 56.824 56.048 -0.254 0.000 1.350 496 H CB -0.099 29.103 29.762 -0.933 0.000 1.403 496 H HN 0.105 nan 8.280 nan 0.000 0.533 497 K N 1.128 121.525 120.400 -0.005 0.000 2.044 497 K HA -0.141 4.232 4.320 0.089 0.000 0.210 497 K C 2.098 178.726 176.600 0.047 0.000 1.049 497 K CA 1.479 57.760 56.287 -0.010 0.000 0.927 497 K CB -0.203 32.274 32.500 -0.038 0.000 0.713 497 K HN 0.140 nan 8.250 nan 0.000 0.443 498 I N 0.564 121.211 120.570 0.128 0.000 2.226 498 I HA -0.266 3.957 4.170 0.089 0.000 0.245 498 I C 2.317 178.527 176.117 0.155 0.000 1.100 498 I CA 1.177 62.565 61.300 0.146 0.000 1.374 498 I CB -0.326 37.811 38.000 0.228 0.000 1.057 498 I HN 0.195 nan 8.210 nan 0.000 0.413 499 F N 1.248 121.284 119.950 0.144 0.000 2.069 499 F HA -0.246 4.332 4.527 0.086 0.000 0.298 499 F C 2.373 178.250 175.800 0.128 0.000 1.113 499 F CA 1.837 59.963 58.000 0.210 0.000 1.214 499 F CB -0.486 38.755 39.000 0.402 0.000 0.978 499 F HN -0.221 nan 8.300 nan 0.000 0.474 500 V N 0.683 120.661 119.914 0.106 0.000 2.332 500 V HA -0.347 3.827 4.120 0.089 0.000 0.248 500 V C 2.360 178.293 176.094 -0.269 0.000 1.055 500 V CA 2.360 64.630 62.300 -0.050 0.000 1.038 500 V CB -0.929 30.941 31.823 0.078 0.000 0.651 500 V HN 0.443 nan 8.190 nan 0.000 0.450 501 Q N -0.012 119.594 119.800 -0.323 0.000 2.084 501 Q HA -0.153 4.240 4.340 0.089 0.000 0.202 501 Q C 2.423 178.021 176.000 -0.670 0.000 0.978 501 Q CA 1.715 57.093 55.803 -0.709 0.000 0.844 501 Q CB -0.604 27.671 28.738 -0.772 0.000 0.898 501 Q HN 0.725 nan 8.270 nan 0.000 0.426 502 G N 1.256 109.900 108.800 -0.260 0.000 2.440 502 G HA2 -0.230 3.783 3.960 0.089 0.000 0.218 502 G HA3 -0.230 3.783 3.960 0.089 0.000 0.218 502 G C 1.381 176.222 174.900 -0.097 0.000 1.154 502 G CA 0.613 45.686 45.100 -0.045 0.000 0.767 502 G HN 0.164 nan 8.290 nan 0.000 0.552 503 I N 0.911 121.310 120.570 -0.286 0.000 2.226 503 I HA -0.084 4.140 4.170 0.089 0.000 0.245 503 I C 2.869 178.899 176.117 -0.145 0.000 1.100 503 I CA 0.999 62.163 61.300 -0.227 0.000 1.374 503 I CB -0.980 36.805 38.000 -0.359 0.000 1.057 503 I HN 0.249 nan 8.210 nan 0.000 0.413 504 M N -1.322 118.131 119.600 -0.245 0.000 2.175 504 M HA -0.204 4.330 4.480 0.089 0.000 0.264 504 M C 1.895 178.099 176.300 -0.160 0.000 1.063 504 M CA 1.527 56.675 55.300 -0.255 0.000 1.119 504 M CB -0.370 31.997 32.600 -0.389 0.000 1.377 504 M HN 0.265 nan 8.290 nan 0.000 0.415 505 W N 0.314 121.573 121.300 -0.068 0.000 3.047 505 W HA 0.014 4.726 4.660 0.087 0.000 0.250 505 W C 0.472 177.027 176.519 0.060 0.000 1.314 505 W CA 0.433 57.778 57.345 0.000 0.000 1.540 505 W CB -0.857 28.661 29.460 0.097 0.000 1.127 505 W HN 0.372 nan 8.180 nan 0.000 0.679 506 D N -0.020 120.502 120.400 0.204 0.000 2.981 506 D HA -0.204 4.490 4.640 0.089 0.000 0.223 506 D C 0.020 176.453 176.300 0.220 0.000 1.151 506 D CA 0.938 55.034 54.000 0.160 0.000 0.827 506 D CB -1.395 39.477 40.800 0.119 0.000 1.101 506 D HN 0.277 nan 8.370 nan 0.000 0.426 507 I N -3.991 116.730 120.570 0.252 0.000 2.947 507 I HA 0.538 4.761 4.170 0.089 0.000 0.314 507 I C 0.447 176.699 176.117 0.225 0.000 1.028 507 I CA -1.066 60.382 61.300 0.246 0.000 1.077 507 I CB 1.282 39.407 38.000 0.208 0.000 1.274 507 I HN -0.149 nan 8.210 nan 0.000 0.485 508 N N 1.829 120.606 118.700 0.129 0.000 2.437 508 N HA 0.225 5.019 4.740 0.089 0.000 0.243 508 N C 0.117 175.569 175.510 -0.097 0.000 1.041 508 N CA -0.081 52.933 53.050 -0.060 0.000 0.940 508 N CB 0.992 39.249 38.487 -0.383 0.000 1.133 508 N HN 0.647 nan 8.380 nan 0.000 0.506 509 S N 2.530 118.070 115.700 -0.267 0.000 2.603 509 S HA 0.074 4.598 4.470 0.089 0.000 0.229 509 S C 0.539 174.725 174.600 -0.690 0.000 0.972 509 S CA 0.460 58.319 58.200 -0.570 0.000 0.935 509 S CB -0.207 62.448 63.200 -0.908 0.000 0.769 509 S HN 0.620 nan 8.310 nan 0.000 0.536 510 F N 0.903 120.905 119.950 0.086 0.000 2.706 510 F HA 0.260 4.837 4.527 0.083 0.000 0.313 510 F C 0.599 176.391 175.800 -0.013 0.000 1.096 510 F CA -0.881 57.174 58.000 0.092 0.000 1.219 510 F CB 0.354 39.413 39.000 0.098 0.000 1.051 510 F HN 0.086 nan 8.300 nan 0.000 0.568 511 D N -0.123 120.269 120.400 -0.015 0.000 2.487 511 D HA 0.327 5.021 4.640 0.089 0.000 0.262 511 D C -0.122 176.020 176.300 -0.263 0.000 1.130 511 D CA -0.564 53.289 54.000 -0.244 0.000 1.038 511 D CB 0.566 41.131 40.800 -0.392 0.000 1.142 511 D HN 0.047 nan 8.370 nan 0.000 0.575 512 Q N -0.714 118.801 119.800 -0.476 0.000 3.693 512 Q HA 0.107 4.500 4.340 0.089 0.000 0.226 512 Q C -0.799 175.069 176.000 -0.221 0.000 0.757 512 Q CA -0.533 55.119 55.803 -0.251 0.000 0.891 512 Q CB -1.311 27.338 28.738 -0.148 0.000 1.561 512 Q HN 0.772 nan 8.270 nan 0.000 0.390 513 W N 0.886 122.216 121.300 0.048 0.000 2.525 513 W HA 0.100 4.773 4.660 0.022 0.000 0.259 513 W C 1.924 178.472 176.519 0.048 0.000 1.253 513 W CA 0.865 58.239 57.345 0.050 0.000 1.262 513 W CB 0.266 29.759 29.460 0.056 0.000 1.122 513 W HN 0.618 nan 8.180 nan 0.000 0.607 514 G N 0.410 109.342 108.800 0.220 0.000 2.776 514 G HA2 -0.116 3.897 3.960 0.089 0.000 0.209 514 G HA3 -0.116 3.897 3.960 0.089 0.000 0.209 514 G C 1.247 176.200 174.900 0.088 0.000 1.145 514 G CA 1.075 46.261 45.100 0.143 0.000 0.791 514 G HN 0.297 nan 8.290 nan 0.000 0.530 515 V N -2.828 117.134 119.914 0.079 0.000 3.650 515 V HA 0.268 4.442 4.120 0.089 0.000 0.271 515 V C 1.852 177.987 176.094 0.068 0.000 1.281 515 V CA 1.252 63.581 62.300 0.048 0.000 1.120 515 V CB 0.342 32.174 31.823 0.015 0.000 0.856 515 V HN 0.365 nan 8.190 nan 0.000 0.443 516 E N 0.461 120.729 120.200 0.114 0.000 2.047 516 E HA -0.193 4.211 4.350 0.089 0.000 0.191 516 E C 2.049 178.699 176.600 0.083 0.000 0.987 516 E CA 1.537 58.008 56.400 0.119 0.000 0.799 516 E CB -0.079 29.731 29.700 0.184 0.000 0.752 516 E HN 0.557 nan 8.360 nan 0.000 0.449 517 L N 0.641 121.910 121.223 0.076 0.000 2.046 517 L HA -0.053 4.340 4.340 0.089 0.000 0.208 517 L C 2.206 179.101 176.870 0.042 0.000 1.077 517 L CA 2.397 57.270 54.840 0.055 0.000 0.747 517 L CB -0.950 41.138 42.059 0.048 0.000 0.896 517 L HN 0.207 nan 8.230 nan 0.000 0.432 518 G N -0.846 107.975 108.800 0.034 0.000 2.442 518 G HA2 -0.274 3.740 3.960 0.089 0.000 0.219 518 G HA3 -0.274 3.740 3.960 0.089 0.000 0.219 518 G C 1.685 176.599 174.900 0.024 0.000 1.141 518 G CA 0.909 46.023 45.100 0.022 0.000 0.763 518 G HN 0.431 nan 8.290 nan 0.000 0.554 519 K N -0.004 120.414 120.400 0.031 0.000 2.057 519 K HA -0.076 4.298 4.320 0.089 0.000 0.207 519 K C 2.749 179.369 176.600 0.034 0.000 1.049 519 K CA 1.304 57.608 56.287 0.030 0.000 0.931 519 K CB -0.190 32.331 32.500 0.035 0.000 0.714 519 K HN 0.359 nan 8.250 nan 0.000 0.440 520 Q N 0.666 120.491 119.800 0.041 0.000 2.050 520 Q HA -0.110 4.284 4.340 0.089 0.000 0.202 520 Q C 2.187 178.214 176.000 0.044 0.000 0.980 520 Q CA 1.255 57.084 55.803 0.043 0.000 0.840 520 Q CB -0.102 28.663 28.738 0.045 0.000 0.898 520 Q HN 0.296 nan 8.270 nan 0.000 0.424 521 L N -0.066 121.184 121.223 0.045 0.000 2.141 521 L HA -0.108 4.286 4.340 0.089 0.000 0.209 521 L C 2.432 179.331 176.870 0.048 0.000 1.094 521 L CA 0.682 55.556 54.840 0.056 0.000 0.763 521 L CB -0.554 41.535 42.059 0.050 0.000 0.908 521 L HN 0.217 nan 8.230 nan 0.000 0.437 522 A N -0.199 122.638 122.820 0.030 0.000 1.930 522 A HA -0.149 4.224 4.320 0.089 0.000 0.217 522 A C 2.304 179.905 177.584 0.028 0.000 1.175 522 A CA 1.168 53.217 52.037 0.020 0.000 0.627 522 A CB -0.212 18.795 19.000 0.012 0.000 0.815 522 A HN 0.151 nan 8.150 nan 0.000 0.443 523 K N 0.319 120.739 120.400 0.032 0.000 2.147 523 K HA -0.097 4.276 4.320 0.089 0.000 0.205 523 K C 1.806 178.431 176.600 0.042 0.000 1.049 523 K CA 1.427 57.733 56.287 0.033 0.000 0.936 523 K CB -0.261 32.258 32.500 0.031 0.000 0.722 523 K HN 0.532 nan 8.250 nan 0.000 0.446 524 K N 0.270 120.704 120.400 0.057 0.000 2.103 524 K HA 0.032 4.405 4.320 0.089 0.000 0.204 524 K C 2.210 178.871 176.600 0.101 0.000 1.052 524 K CA 0.779 57.112 56.287 0.077 0.000 0.945 524 K CB -0.012 32.547 32.500 0.098 0.000 0.722 524 K HN 0.069 nan 8.250 nan 0.000 0.443 525 I N 1.000 121.625 120.570 0.092 0.000 2.500 525 I HA -0.182 4.042 4.170 0.089 0.000 0.252 525 I C 2.102 178.247 176.117 0.046 0.000 1.142 525 I CA 0.818 62.162 61.300 0.073 0.000 1.451 525 I CB -0.123 37.873 38.000 -0.007 0.000 1.093 525 I HN 0.186 nan 8.210 nan 0.000 0.430 526 E N 1.269 121.490 120.200 0.035 0.000 2.055 526 E HA -0.256 4.148 4.350 0.089 0.000 0.209 526 E C -0.627 175.989 176.600 0.027 0.000 1.036 526 E CA 2.095 58.510 56.400 0.025 0.000 0.849 526 E CB -1.099 28.614 29.700 0.022 0.000 0.767 526 E HN 0.415 nan 8.360 nan 0.000 0.461 527 P HA -0.102 nan 4.420 nan 0.000 0.229 527 P C 0.458 177.777 177.300 0.032 0.000 1.160 527 P CA 1.166 64.283 63.100 0.028 0.000 0.777 527 P CB 0.015 31.730 31.700 0.026 0.000 0.814 528 E N -0.133 120.095 120.200 0.046 0.000 2.274 528 E HA -0.026 4.377 4.350 0.089 0.000 0.194 528 E C 1.972 178.596 176.600 0.040 0.000 0.996 528 E CA 0.486 56.919 56.400 0.055 0.000 0.840 528 E CB -0.399 29.361 29.700 0.100 0.000 0.772 528 E HN 0.306 nan 8.360 nan 0.000 0.491 529 L N 0.963 122.204 121.223 0.030 0.000 2.217 529 L HA -0.039 4.354 4.340 0.089 0.000 0.211 529 L C 0.815 177.694 176.870 0.015 0.000 1.107 529 L CA 0.480 55.332 54.840 0.020 0.000 0.783 529 L CB -0.162 41.905 42.059 0.014 0.000 0.919 529 L HN 0.019 nan 8.230 nan 0.000 0.442 530 E N 0.243 120.452 120.200 0.015 0.000 2.384 530 E HA 0.350 4.753 4.350 0.089 0.000 0.266 530 E C 0.537 177.143 176.600 0.010 0.000 1.012 530 E CA 0.510 56.916 56.400 0.011 0.000 0.901 530 E CB 0.528 30.235 29.700 0.011 0.000 0.967 530 E HN 0.236 nan 8.360 nan 0.000 0.435 531 G N 1.548 110.351 108.800 0.006 0.000 2.795 531 G HA2 -0.248 3.765 3.960 0.089 0.000 0.664 531 G HA3 -0.248 3.765 3.960 0.089 0.000 0.664 531 G C 0.440 175.342 174.900 0.003 0.000 1.381 531 G CA -0.181 44.922 45.100 0.004 0.000 0.853 531 G HN 0.638 nan 8.290 nan 0.000 0.545 532 S N -1.331 114.370 115.700 0.001 0.000 2.535 532 S HA 0.439 4.962 4.470 0.089 0.000 0.214 532 S C 1.374 175.977 174.600 0.004 0.000 0.980 532 S CA 1.032 59.231 58.200 -0.001 0.000 0.907 532 S CB 0.019 63.216 63.200 -0.005 0.000 0.790 532 S HN 2.265 nan 8.310 nan 0.000 0.510 533 S N 1.763 117.467 115.700 0.008 0.000 2.576 533 S HA 0.661 5.184 4.470 0.089 0.000 0.276 533 S C 0.307 174.918 174.600 0.018 0.000 1.339 533 S CA -0.409 57.798 58.200 0.011 0.000 1.039 533 S CB 0.699 63.905 63.200 0.011 0.000 0.902 533 S HN 0.650 nan 8.310 nan 0.000 0.516 534 A N 2.710 125.542 122.820 0.020 0.000 2.425 534 A HA 0.528 4.901 4.320 0.089 0.000 0.249 534 A C -0.022 177.584 177.584 0.036 0.000 1.084 534 A CA -0.652 51.402 52.037 0.028 0.000 0.781 534 A CB 0.008 19.023 19.000 0.026 0.000 1.019 534 A HN 0.935 nan 8.150 nan 0.000 0.490 535 V N 2.394 122.339 119.914 0.052 0.000 2.394 535 V HA 0.437 4.610 4.120 0.089 0.000 0.282 535 V C 1.120 177.261 176.094 0.078 0.000 1.031 535 V CA 0.546 62.890 62.300 0.074 0.000 0.881 535 V CB 1.333 33.225 31.823 0.115 0.000 0.982 535 V HN 1.132 nan 8.190 nan 0.000 0.451 536 T N -1.611 112.976 114.554 0.055 0.000 3.091 536 T HA 0.011 4.415 4.350 0.089 0.000 0.277 536 T C 1.374 176.081 174.700 0.012 0.000 0.996 536 T CA 0.426 62.550 62.100 0.039 0.000 0.897 536 T CB 0.202 69.082 68.868 0.020 0.000 1.109 536 T HN 0.638 nan 8.240 nan 0.000 0.534 537 S N 0.520 116.205 115.700 -0.025 0.000 2.522 537 S HA 0.099 4.623 4.470 0.089 0.000 0.227 537 S C 0.698 175.104 174.600 -0.324 0.000 0.986 537 S CA -0.250 57.836 58.200 -0.190 0.000 0.929 537 S CB -0.533 62.496 63.200 -0.285 0.000 0.769 537 S HN 0.697 nan 8.310 nan 0.000 0.529 538 H N 1.557 120.631 119.070 0.006 0.000 2.960 538 H HA 0.332 4.940 4.556 0.086 0.000 0.302 538 H C -0.356 174.974 175.328 0.003 0.000 1.515 538 H CA -0.539 55.512 56.048 0.005 0.000 1.431 538 H CB 0.193 29.959 29.762 0.006 0.000 1.890 538 H HN 0.393 nan 8.280 nan 0.000 0.762 539 D N -0.192 120.301 120.400 0.155 0.000 2.362 539 D HA -0.086 4.608 4.640 0.089 0.000 0.238 539 D C 1.019 177.360 176.300 0.068 0.000 1.212 539 D CA 0.326 54.373 54.000 0.078 0.000 0.902 539 D CB 0.947 41.778 40.800 0.053 0.000 1.180 539 D HN 0.552 nan 8.370 nan 0.000 0.445 540 S N 0.386 116.110 115.700 0.039 0.000 2.419 540 S HA -0.220 4.303 4.470 0.089 0.000 0.233 540 S C 1.987 176.598 174.600 0.019 0.000 1.016 540 S CA 1.206 59.423 58.200 0.030 0.000 0.974 540 S CB -0.286 62.925 63.200 0.018 0.000 0.786 540 S HN 0.573 nan 8.310 nan 0.000 0.492 541 S N 1.567 117.272 115.700 0.008 0.000 2.345 541 S HA -0.116 4.408 4.470 0.089 0.000 0.220 541 S C 1.999 176.588 174.600 -0.018 0.000 1.031 541 S CA 1.877 60.070 58.200 -0.011 0.000 0.996 541 S CB -1.329 61.859 63.200 -0.021 0.000 0.882 541 S HN 0.682 nan 8.310 nan 0.000 0.445 542 T N 3.024 117.563 114.554 -0.024 0.000 2.665 542 T HA -0.102 4.301 4.350 0.089 0.000 0.268 542 T C 1.755 176.426 174.700 -0.048 0.000 1.035 542 T CA 1.660 63.712 62.100 -0.080 0.000 1.151 542 T CB -0.701 68.070 68.868 -0.163 0.000 0.862 542 T HN 0.423 nan 8.240 nan 0.000 0.438 543 N N 1.049 119.766 118.700 0.028 0.000 2.069 543 N HA -0.058 4.736 4.740 0.089 0.000 0.191 543 N C 2.192 177.728 175.510 0.044 0.000 1.031 543 N CA 1.465 54.552 53.050 0.061 0.000 0.852 543 N CB -0.960 37.574 38.487 0.079 0.000 1.018 543 N HN 0.513 nan 8.380 nan 0.000 0.423 544 G N 0.989 109.809 108.800 0.033 0.000 2.408 544 G HA2 -0.123 3.890 3.960 0.089 0.000 0.217 544 G HA3 -0.123 3.890 3.960 0.089 0.000 0.217 544 G C 1.705 176.641 174.900 0.060 0.000 1.150 544 G CA 0.300 45.424 45.100 0.040 0.000 0.776 544 G HN 0.221 nan 8.290 nan 0.000 0.542 545 L N 0.036 121.276 121.223 0.029 0.000 2.056 545 L HA 0.030 4.423 4.340 0.089 0.000 0.207 545 L C 2.801 179.731 176.870 0.100 0.000 1.078 545 L CA 0.606 55.474 54.840 0.047 0.000 0.749 545 L CB -0.310 41.743 42.059 -0.009 0.000 0.901 545 L HN 0.174 nan 8.230 nan 0.000 0.433 546 I N -0.888 119.712 120.570 0.050 0.000 2.226 546 I HA -0.281 3.943 4.170 0.089 0.000 0.245 546 I C 2.619 178.777 176.117 0.069 0.000 1.100 546 I CA 1.095 62.423 61.300 0.047 0.000 1.374 546 I CB -0.245 37.768 38.000 0.022 0.000 1.057 546 I HN 0.158 nan 8.210 nan 0.000 0.413 547 S N 0.534 116.282 115.700 0.080 0.000 2.370 547 S HA -0.212 4.312 4.470 0.089 0.000 0.226 547 S C 1.877 176.537 174.600 0.099 0.000 1.033 547 S CA 1.469 59.715 58.200 0.077 0.000 1.011 547 S CB -0.439 62.807 63.200 0.077 0.000 0.852 547 S HN 0.406 nan 8.310 nan 0.000 0.457 548 F N 1.956 121.903 119.950 -0.005 0.000 2.102 548 F HA -0.068 4.512 4.527 0.088 0.000 0.298 548 F C 1.841 177.638 175.800 -0.006 0.000 1.105 548 F CA 1.102 59.099 58.000 -0.006 0.000 1.239 548 F CB -0.366 38.628 39.000 -0.009 0.000 0.991 548 F HN 0.110 nan 8.300 nan 0.000 0.474 549 I N 0.416 121.037 120.570 0.086 0.000 2.163 549 I HA -0.353 3.870 4.170 0.089 0.000 0.243 549 I C 2.337 178.406 176.117 -0.080 0.000 1.085 549 I CA 1.672 62.966 61.300 -0.010 0.000 1.347 549 I CB -0.482 37.547 38.000 0.049 0.000 1.044 549 I HN 0.077 nan 8.210 nan 0.000 0.408 550 K N -0.076 120.297 120.400 -0.044 0.000 2.097 550 K HA -0.202 4.172 4.320 0.089 0.000 0.205 550 K C 2.183 178.733 176.600 -0.083 0.000 1.050 550 K CA 0.967 57.227 56.287 -0.046 0.000 0.938 550 K CB -0.179 32.312 32.500 -0.015 0.000 0.718 550 K HN 0.322 nan 8.250 nan 0.000 0.442 551 Q N 0.393 120.120 119.800 -0.122 0.000 2.230 551 Q HA -0.102 4.291 4.340 0.089 0.000 0.202 551 Q C 1.559 177.429 176.000 -0.215 0.000 0.963 551 Q CA 1.182 56.897 55.803 -0.147 0.000 0.866 551 Q CB 0.442 29.098 28.738 -0.137 0.000 0.931 551 Q HN 0.289 nan 8.270 nan 0.000 0.452 552 Q N -0.347 119.258 119.800 -0.325 0.000 2.352 552 Q HA 0.018 4.411 4.340 0.089 0.000 0.212 552 Q C 1.658 177.542 176.000 -0.193 0.000 0.888 552 Q CA 0.263 55.858 55.803 -0.346 0.000 0.934 552 Q CB 0.316 28.665 28.738 -0.649 0.000 1.093 552 Q HN 0.471 nan 8.270 nan 0.000 0.523 553 R N -0.010 120.406 120.500 -0.140 0.000 2.276 553 R HA 0.015 4.409 4.340 0.089 0.000 0.203 553 R C 0.257 176.521 176.300 -0.059 0.000 1.017 553 R CA 1.052 57.102 56.100 -0.083 0.000 1.010 553 R CB 0.171 30.437 30.300 -0.058 0.000 0.900 553 R HN -0.058 nan 8.270 nan 0.000 0.469 554 D N 0.840 121.202 120.400 -0.063 0.000 2.398 554 D HA 0.047 4.740 4.640 0.089 0.000 0.210 554 D C -0.263 176.012 176.300 -0.042 0.000 1.094 554 D CA 0.231 54.205 54.000 -0.044 0.000 0.839 554 D CB 0.744 41.521 40.800 -0.038 0.000 0.963 554 D HN 0.093 nan 8.370 nan 0.000 0.506 555 T N 1.620 116.141 114.554 -0.055 0.000 2.888 555 T HA 0.092 4.496 4.350 0.089 0.000 0.301 555 T C 0.577 175.258 174.700 -0.030 0.000 1.001 555 T CA 0.046 62.118 62.100 -0.046 0.000 1.147 555 T CB 1.299 70.131 68.868 -0.060 0.000 0.931 555 T HN -0.148 nan 8.240 nan 0.000 0.541 556 K N 3.620 124.008 120.400 -0.021 0.000 2.316 556 K HA 0.474 4.847 4.320 0.089 0.000 0.289 556 K C -0.353 176.241 176.600 -0.010 0.000 1.070 556 K CA -0.162 56.117 56.287 -0.013 0.000 0.928 556 K CB 0.450 32.944 32.500 -0.010 0.000 1.039 556 K HN 0.453 nan 8.250 nan 0.000 0.480 557 L N 0.000 121.219 121.223 -0.007 0.000 2.949 557 L HA 0.000 4.393 4.340 0.089 0.000 0.249 557 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 557 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 557 L HN 0.000 nan 8.230 nan 0.000 0.502