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 2e0i_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDcIFIFRRD LRLEDNTGLN YALSEcDRVI PVFIADPRQL INNPYKSEFA DATA SEQUENCE VSFMINSLLE LDDELRKKGS RLNVFFGEAE KVVSRFFNKV DAIYVNEDYT DATA SEQUENCE PFSISRDEKI RKVCEENGIE FKAYEDYLLT PKSLFHHRNF TSFYNEVSKV DATA SEQUENCE KVREPETMEG SFDVTDSSMN VDFLLTFKKI ESPLFRGGRR EGLYLLHRNV DATA SEQUENCE DFRRRDYPAE NNNYRLSPHL KFGTISMREA YYTQKGKEEF VRELYWRDFF DATA SEQUENCE TLLAYYNPHV FGHCYRREYD NISWENNESY FEAWKEGRTG YPIIDAGMRM DATA SEQUENCE LNSTGYINGR VRMLVAFFLV KVLFVDWRWG ERYFATKLVD YDPAINNGNW DATA SEQUENCE QWIASTGVDY MFRVFNPWKQ QEKFDPEAKF IKEWVEELKD VPPSIIHSIY DATA SEQUENCE KTKVPGYPSP IVNWLERVNY VKSEYKNV 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 0.000 176.327 176.300 0.045 0.000 1.140 1 M CA 0.000 55.330 55.300 0.049 0.000 0.988 1 M CB 0.000 32.647 32.600 0.078 0.000 1.302 2 D N 2.254 122.687 120.400 0.056 0.000 2.454 2 D HA 0.542 5.183 4.640 0.001 0.000 0.225 2 D C -1.013 175.330 176.300 0.072 0.000 1.081 2 D CA 0.005 54.038 54.000 0.055 0.000 0.864 2 D CB 1.018 41.853 40.800 0.058 0.000 1.040 2 D HN 0.726 nan 8.370 nan 0.000 0.517 3 c N 1.539 120.183 118.600 0.075 0.000 2.822 3 c HA 0.779 5.350 4.570 0.001 0.000 0.341 3 c C -0.103 174.038 174.090 0.085 0.000 1.301 3 c CA -0.872 55.527 56.329 0.116 0.000 1.706 3 c CB 0.857 43.515 42.510 0.246 0.000 2.178 3 c HN 0.474 nan 8.230 nan 0.000 0.481 4 I N 1.098 121.721 120.570 0.089 0.000 2.530 4 I HA 0.491 4.661 4.170 0.001 0.000 0.297 4 I C -1.038 175.166 176.117 0.146 0.000 1.011 4 I CA -0.250 61.061 61.300 0.019 0.000 1.107 4 I CB 1.797 39.619 38.000 -0.297 0.000 1.285 4 I HN 0.719 nan 8.210 nan 0.000 0.436 5 F N 7.336 127.300 119.950 0.023 0.000 2.467 5 F HA 0.595 5.122 4.527 0.001 0.000 0.336 5 F C -0.776 175.018 175.800 -0.009 0.000 1.123 5 F CA -0.663 57.337 58.000 -0.001 0.000 0.964 5 F CB 0.992 39.932 39.000 -0.099 0.000 1.136 5 F HN 0.160 nan 8.300 nan 0.000 0.447 6 I N 7.444 127.440 120.570 -0.957 0.000 2.312 6 I HA 0.229 4.399 4.170 0.001 0.000 0.290 6 I C -0.697 175.001 176.117 -0.698 0.000 1.008 6 I CA -0.494 60.487 61.300 -0.531 0.000 1.226 6 I CB 0.623 38.497 38.000 -0.210 0.000 1.371 6 I HN 0.430 nan 8.210 nan 0.000 0.468 7 F N 5.747 125.647 119.950 -0.083 0.000 2.410 7 F HA 0.368 4.896 4.527 0.001 0.000 0.334 7 F C 1.277 177.260 175.800 0.304 0.000 1.134 7 F CA 0.242 58.384 58.000 0.237 0.000 1.227 7 F CB 0.808 40.086 39.000 0.463 0.000 1.194 7 F HN 0.450 nan 8.300 nan 0.000 0.571 8 R N 0.235 121.070 120.500 0.559 0.000 3.969 8 R HA 0.232 4.573 4.340 0.001 0.000 0.120 8 R C 0.896 177.510 176.300 0.524 0.000 0.681 8 R CA -0.368 56.019 56.100 0.479 0.000 1.259 8 R CB 0.276 30.749 30.300 0.288 0.000 1.619 8 R HN 0.495 nan 8.270 nan 0.000 0.452 9 R N 1.261 122.049 120.500 0.479 0.000 2.549 9 R HA 0.075 4.415 4.340 0.001 0.000 0.399 9 R C -1.136 175.438 176.300 0.456 0.000 0.964 9 R CA 0.268 56.570 56.100 0.335 0.000 1.173 9 R CB 0.809 31.062 30.300 -0.077 0.000 1.535 9 R HN 0.160 nan 8.270 nan 0.000 0.551 10 D N 0.643 121.418 120.400 0.624 0.000 3.010 10 D HA 0.069 4.709 4.640 0.001 0.000 0.347 10 D C 0.011 176.681 176.300 0.616 0.000 1.340 10 D CA -0.361 54.011 54.000 0.620 0.000 0.858 10 D CB 0.035 41.188 40.800 0.587 0.000 1.111 10 D HN 0.143 nan 8.370 nan 0.000 0.482 11 L N 1.679 123.197 121.223 0.492 0.000 2.530 11 L HA 0.178 4.518 4.340 0.001 0.000 0.247 11 L C 0.610 177.630 176.870 0.250 0.000 1.416 11 L CA 0.225 55.266 54.840 0.334 0.000 1.202 11 L CB -1.097 41.086 42.059 0.206 0.000 1.415 11 L HN 0.261 nan 8.230 nan 0.000 0.443 12 R N 0.495 121.195 120.500 0.332 0.000 2.712 12 R HA 0.452 4.792 4.340 0.001 0.000 0.272 12 R C -0.576 175.902 176.300 0.296 0.000 1.032 12 R CA -1.045 55.199 56.100 0.239 0.000 0.874 12 R CB 0.968 31.402 30.300 0.223 0.000 1.256 12 R HN 0.068 nan 8.270 nan 0.000 0.468 13 L N -0.335 120.998 121.223 0.183 0.000 2.638 13 L HA 0.311 4.652 4.340 0.001 0.000 0.232 13 L C -0.054 176.886 176.870 0.117 0.000 1.099 13 L CA -0.026 54.921 54.840 0.179 0.000 0.883 13 L CB 0.301 42.433 42.059 0.122 0.000 1.136 13 L HN 0.545 nan 8.230 nan 0.000 0.492 14 E N 0.911 121.173 120.200 0.103 0.000 2.216 14 E HA 0.078 4.428 4.350 0.001 0.000 0.279 14 E C -0.466 176.174 176.600 0.068 0.000 0.997 14 E CA -0.235 56.207 56.400 0.071 0.000 0.817 14 E CB 1.367 31.111 29.700 0.073 0.000 1.096 14 E HN 0.013 nan 8.360 nan 0.000 0.393 15 D N 2.002 122.420 120.400 0.030 0.000 2.704 15 D HA -0.255 4.385 4.640 0.001 0.000 0.232 15 D C -0.671 175.646 176.300 0.029 0.000 1.183 15 D CA 0.835 54.848 54.000 0.022 0.000 0.647 15 D CB -1.413 39.421 40.800 0.056 0.000 1.013 15 D HN 0.487 nan 8.370 nan 0.000 0.415 16 N N -0.445 118.246 118.700 -0.015 0.000 2.558 16 N HA 0.287 5.027 4.740 0.001 0.000 0.242 16 N C 1.297 176.736 175.510 -0.118 0.000 0.979 16 N CA -0.126 52.907 53.050 -0.027 0.000 0.931 16 N CB 0.714 39.177 38.487 -0.039 0.000 1.122 16 N HN 0.019 nan 8.380 nan 0.000 0.508 17 T N 1.959 116.476 114.554 -0.062 0.000 2.544 17 T HA -0.198 4.152 4.350 0.001 0.000 0.264 17 T C 1.866 176.500 174.700 -0.110 0.000 1.096 17 T CA 1.813 63.873 62.100 -0.067 0.000 1.181 17 T CB -0.808 68.091 68.868 0.051 0.000 0.864 17 T HN 0.714 nan 8.240 nan 0.000 0.415 18 G N 1.208 110.005 108.800 -0.005 0.000 2.469 18 G HA2 -0.182 3.778 3.960 0.001 0.000 0.219 18 G HA3 -0.182 3.778 3.960 0.001 0.000 0.219 18 G C 1.551 176.341 174.900 -0.184 0.000 1.150 18 G CA 1.048 46.199 45.100 0.086 0.000 0.763 18 G HN 0.415 nan 8.290 nan 0.000 0.561 19 L N 1.069 121.898 121.223 -0.657 0.000 2.093 19 L HA 0.028 4.369 4.340 0.001 0.000 0.208 19 L C 2.291 178.826 176.870 -0.560 0.000 1.085 19 L CA 1.718 55.918 54.840 -1.066 0.000 0.755 19 L CB -0.649 40.711 42.059 -1.165 0.000 0.904 19 L HN 0.071 nan 8.230 nan 0.000 0.435 20 N N -0.852 117.596 118.700 -0.420 0.000 2.043 20 N HA -0.241 4.500 4.740 0.001 0.000 0.193 20 N C 1.908 177.157 175.510 -0.436 0.000 1.037 20 N CA 2.054 54.864 53.050 -0.400 0.000 0.851 20 N CB -0.629 37.609 38.487 -0.414 0.000 1.027 20 N HN 0.472 nan 8.380 nan 0.000 0.422 21 Y N 1.361 121.396 120.300 -0.442 0.000 2.165 21 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 21 Y C 2.460 178.057 175.900 -0.505 0.000 1.155 21 Y CA 1.283 59.135 58.100 -0.414 0.000 1.164 21 Y CB -0.381 37.723 38.460 -0.594 0.000 0.978 21 Y HN 0.077 nan 8.280 nan 0.000 0.513 22 A N 0.121 122.572 122.820 -0.614 0.000 1.883 22 A HA -0.192 4.129 4.320 0.001 0.000 0.217 22 A C 2.205 179.440 177.584 -0.582 0.000 1.186 22 A CA 1.739 53.139 52.037 -1.061 0.000 0.624 22 A CB -1.110 17.407 19.000 -0.804 0.000 0.822 22 A HN 0.486 nan 8.150 nan 0.000 0.444 23 L N 0.315 121.259 121.223 -0.466 0.000 2.083 23 L HA -0.168 4.172 4.340 0.001 0.000 0.209 23 L C 2.904 179.603 176.870 -0.285 0.000 1.083 23 L CA 1.625 56.227 54.840 -0.397 0.000 0.752 23 L CB -0.323 41.490 42.059 -0.411 0.000 0.899 23 L HN 0.628 nan 8.230 nan 0.000 0.433 24 S N -1.627 113.923 115.700 -0.250 0.000 2.478 24 S HA -0.037 4.433 4.470 0.001 0.000 0.222 24 S C 1.587 176.127 174.600 -0.100 0.000 1.008 24 S CA 0.203 58.304 58.200 -0.165 0.000 0.928 24 S CB -0.027 63.074 63.200 -0.166 0.000 0.781 24 S HN 0.450 nan 8.310 nan 0.000 0.518 25 E N 0.060 120.201 120.200 -0.098 0.000 2.340 25 E HA 0.159 4.509 4.350 0.001 0.000 0.194 25 E C 0.060 176.656 176.600 -0.008 0.000 0.996 25 E CA 0.246 56.645 56.400 -0.000 0.000 0.869 25 E CB 0.327 30.107 29.700 0.133 0.000 0.835 25 E HN 0.525 nan 8.360 nan 0.000 0.493 26 c N 0.517 119.066 118.600 -0.085 0.000 2.630 26 c HA 0.286 4.857 4.570 0.001 0.000 0.346 26 c C 1.320 175.369 174.090 -0.069 0.000 1.245 26 c CA -0.994 55.307 56.329 -0.045 0.000 1.804 26 c CB 1.465 43.952 42.510 -0.040 0.000 2.279 26 c HN 0.276 nan 8.230 nan 0.000 0.498 27 D N 0.156 120.534 120.400 -0.037 0.000 2.120 27 D HA 0.004 4.644 4.640 0.001 0.000 0.202 27 D C 0.494 176.759 176.300 -0.058 0.000 0.972 27 D CA 1.190 55.166 54.000 -0.040 0.000 0.837 27 D CB 0.182 40.974 40.800 -0.012 0.000 0.989 27 D HN 0.552 nan 8.370 nan 0.000 0.469 28 R N 0.053 120.529 120.500 -0.041 0.000 2.750 28 R HA 0.656 4.996 4.340 0.001 0.000 0.281 28 R C -1.024 175.249 176.300 -0.044 0.000 0.972 28 R CA -0.699 55.378 56.100 -0.038 0.000 0.912 28 R CB 2.955 33.263 30.300 0.013 0.000 1.187 28 R HN -0.226 nan 8.270 nan 0.000 0.464 29 V N 3.923 123.800 119.914 -0.062 0.000 2.531 29 V HA 0.401 4.521 4.120 0.001 0.000 0.301 29 V C -0.277 175.910 176.094 0.156 0.000 1.034 29 V CA -0.687 61.602 62.300 -0.020 0.000 0.865 29 V CB 1.985 33.696 31.823 -0.186 0.000 0.995 29 V HN 0.626 nan 8.190 nan 0.000 0.424 30 I N 7.729 128.406 120.570 0.178 0.000 2.297 30 I HA 0.320 4.490 4.170 0.001 0.000 0.291 30 I C -2.162 174.153 176.117 0.331 0.000 1.033 30 I CA -1.827 59.617 61.300 0.241 0.000 1.253 30 I CB 1.977 40.074 38.000 0.162 0.000 1.396 30 I HN 0.392 nan 8.210 nan 0.000 0.476 31 P HA 0.170 nan 4.420 nan 0.000 0.281 31 P C -0.647 176.963 177.300 0.516 0.000 1.286 31 P CA -0.005 63.468 63.100 0.621 0.000 0.772 31 P CB 1.481 33.552 31.700 0.619 0.000 0.862 32 V N 5.566 125.804 119.914 0.541 0.000 2.769 32 V HA 0.542 4.663 4.120 0.001 0.000 0.312 32 V C -0.539 175.906 176.094 0.585 0.000 1.061 32 V CA -0.660 61.937 62.300 0.496 0.000 0.931 32 V CB 2.072 34.108 31.823 0.354 0.000 1.010 32 V HN 0.468 nan 8.190 nan 0.000 0.433 33 F N 4.724 124.908 119.950 0.390 0.000 2.557 33 F HA 0.702 5.229 4.527 0.001 0.000 0.316 33 F C -0.876 175.124 175.800 0.333 0.000 1.141 33 F CA -0.572 57.626 58.000 0.330 0.000 0.922 33 F CB 1.378 40.526 39.000 0.246 0.000 1.194 33 F HN 0.334 nan 8.300 nan 0.000 0.443 34 I N 6.008 126.232 120.570 -0.577 0.000 2.355 34 I HA 0.466 4.637 4.170 0.001 0.000 0.288 34 I C -0.153 175.657 176.117 -0.512 0.000 0.999 34 I CA -0.915 60.216 61.300 -0.281 0.000 1.163 34 I CB 1.686 39.613 38.000 -0.120 0.000 1.316 34 I HN 0.779 nan 8.210 nan 0.000 0.454 35 A N 5.246 128.062 122.820 -0.007 0.000 2.350 35 A HA 0.187 4.508 4.320 0.001 0.000 0.293 35 A C -0.308 177.240 177.584 -0.061 0.000 1.231 35 A CA -0.227 51.910 52.037 0.166 0.000 0.883 35 A CB -0.034 19.363 19.000 0.662 0.000 1.133 35 A HN 0.671 nan 8.150 nan 0.000 0.533 36 D N 4.722 125.040 120.400 -0.137 0.000 2.317 36 D HA 0.270 4.910 4.640 0.001 0.000 0.234 36 D C -1.470 174.737 176.300 -0.155 0.000 1.112 36 D CA -1.925 51.967 54.000 -0.180 0.000 0.840 36 D CB 1.661 42.431 40.800 -0.050 0.000 1.078 36 D HN 0.257 nan 8.370 nan 0.000 0.486 37 P HA -0.141 nan 4.420 nan 0.000 0.219 37 P C 0.966 178.270 177.300 0.006 0.000 1.146 37 P CA 0.751 63.835 63.100 -0.027 0.000 0.808 37 P CB 0.443 32.130 31.700 -0.022 0.000 0.779 38 R N -0.409 120.087 120.500 -0.008 0.000 2.237 38 R HA -0.028 4.313 4.340 0.001 0.000 0.219 38 R C 2.374 178.631 176.300 -0.072 0.000 1.080 38 R CA 1.068 57.174 56.100 0.011 0.000 0.995 38 R CB -0.224 30.146 30.300 0.117 0.000 0.875 38 R HN 0.396 nan 8.270 nan 0.000 0.462 39 Q N -0.653 119.093 119.800 -0.089 0.000 2.423 39 Q HA 0.151 4.492 4.340 0.001 0.000 0.231 39 Q C 1.652 177.607 176.000 -0.076 0.000 0.894 39 Q CA 0.369 56.096 55.803 -0.127 0.000 0.938 39 Q CB 0.621 29.283 28.738 -0.127 0.000 1.079 39 Q HN 0.254 nan 8.270 nan 0.000 0.552 40 L N 0.011 121.180 121.223 -0.090 0.000 2.463 40 L HA 0.285 4.625 4.340 0.001 0.000 0.219 40 L C 0.387 177.281 176.870 0.039 0.000 1.088 40 L CA 0.258 55.017 54.840 -0.134 0.000 0.849 40 L CB 0.678 42.406 42.059 -0.552 0.000 1.012 40 L HN 0.061 nan 8.230 nan 0.000 0.468 41 I N 0.695 121.319 120.570 0.090 0.000 2.410 41 I HA 0.240 4.411 4.170 0.001 0.000 0.286 41 I C -0.544 175.623 176.117 0.082 0.000 1.009 41 I CA -0.620 60.767 61.300 0.144 0.000 1.111 41 I CB 1.482 39.621 38.000 0.232 0.000 1.262 41 I HN 0.117 nan 8.210 nan 0.000 0.443 42 N N 3.580 122.317 118.700 0.061 0.000 2.727 42 N HA -0.206 4.535 4.740 0.001 0.000 0.251 42 N C -0.660 174.861 175.510 0.018 0.000 1.040 42 N CA 0.496 53.566 53.050 0.034 0.000 0.712 42 N CB -1.019 37.492 38.487 0.040 0.000 0.912 42 N HN 0.681 nan 8.380 nan 0.000 0.545 43 N N 0.751 119.456 118.700 0.007 0.000 2.501 43 N HA 0.372 5.112 4.740 0.001 0.000 0.245 43 N C -1.684 173.820 175.510 -0.010 0.000 0.974 43 N CA -1.991 51.061 53.050 0.003 0.000 0.941 43 N CB 1.288 39.767 38.487 -0.013 0.000 1.122 43 N HN -0.081 nan 8.380 nan 0.000 0.507 44 P HA -0.053 nan 4.420 nan 0.000 0.221 44 P C 0.004 177.137 177.300 -0.278 0.000 1.145 44 P CA 1.230 64.253 63.100 -0.129 0.000 0.795 44 P CB 0.022 31.643 31.700 -0.132 0.000 0.775 45 Y N -0.979 119.238 120.300 -0.139 0.000 2.571 45 Y HA 0.181 4.732 4.550 0.001 0.000 0.275 45 Y C 1.135 176.873 175.900 -0.270 0.000 1.179 45 Y CA -0.443 57.522 58.100 -0.225 0.000 1.242 45 Y CB -0.091 38.246 38.460 -0.205 0.000 1.126 45 Y HN -0.167 nan 8.280 nan 0.000 0.524 46 K N 0.917 121.268 120.400 -0.082 0.000 2.174 46 K HA 0.342 4.662 4.320 0.001 0.000 0.275 46 K C -0.249 176.289 176.600 -0.103 0.000 1.015 46 K CA -0.241 56.006 56.287 -0.066 0.000 0.933 46 K CB 1.004 33.486 32.500 -0.030 0.000 1.025 46 K HN 0.042 nan 8.250 nan 0.000 0.463 47 S N 2.664 118.331 115.700 -0.055 0.000 2.478 47 S HA 0.156 4.626 4.470 0.001 0.000 0.312 47 S C 0.459 175.041 174.600 -0.031 0.000 1.094 47 S CA -0.712 57.455 58.200 -0.055 0.000 1.081 47 S CB 1.368 64.578 63.200 0.017 0.000 1.007 47 S HN 0.718 nan 8.310 nan 0.000 0.475 48 E N 3.627 123.746 120.200 -0.136 0.000 2.106 48 E HA -0.060 4.291 4.350 0.001 0.000 0.192 48 E C 1.148 177.714 176.600 -0.057 0.000 0.984 48 E CA 1.246 57.558 56.400 -0.146 0.000 0.806 48 E CB -0.254 29.273 29.700 -0.287 0.000 0.750 48 E HN 0.794 nan 8.360 nan 0.000 0.458 49 F N 1.225 121.186 119.950 0.019 0.000 2.102 49 F HA -0.122 4.405 4.527 0.001 0.000 0.298 49 F C 2.479 178.309 175.800 0.050 0.000 1.105 49 F CA 0.951 58.975 58.000 0.040 0.000 1.239 49 F CB -1.205 37.813 39.000 0.030 0.000 0.991 49 F HN -0.009 nan 8.300 nan 0.000 0.474 50 A N -0.017 122.951 122.820 0.247 0.000 1.908 50 A HA -0.144 4.176 4.320 0.001 0.000 0.218 50 A C 2.418 180.077 177.584 0.125 0.000 1.181 50 A CA 2.057 54.226 52.037 0.221 0.000 0.627 50 A CB -1.275 17.909 19.000 0.307 0.000 0.818 50 A HN 0.189 nan 8.150 nan 0.000 0.445 51 V N -0.089 119.889 119.914 0.108 0.000 2.343 51 V HA -0.226 3.894 4.120 0.001 0.000 0.247 51 V C 2.784 178.876 176.094 -0.004 0.000 1.051 51 V CA 2.318 64.644 62.300 0.042 0.000 1.036 51 V CB -0.861 30.996 31.823 0.057 0.000 0.654 51 V HN 0.568 nan 8.190 nan 0.000 0.451 52 S N -0.254 115.477 115.700 0.052 0.000 2.356 52 S HA -0.193 4.277 4.470 0.001 0.000 0.223 52 S C 1.798 176.389 174.600 -0.016 0.000 1.032 52 S CA 1.788 60.011 58.200 0.037 0.000 1.005 52 S CB -0.494 62.771 63.200 0.109 0.000 0.867 52 S HN 0.572 nan 8.310 nan 0.000 0.449 53 F N 1.987 121.844 119.950 -0.156 0.000 2.126 53 F HA -0.094 4.434 4.527 0.001 0.000 0.299 53 F C 2.288 177.804 175.800 -0.474 0.000 1.096 53 F CA 1.567 59.406 58.000 -0.267 0.000 1.255 53 F CB -0.344 38.481 39.000 -0.292 0.000 0.997 53 F HN 0.145 nan 8.300 nan 0.000 0.479 54 M N -0.221 119.134 119.600 -0.408 0.000 2.099 54 M HA -0.188 4.292 4.480 0.001 0.000 0.262 54 M C 1.993 178.070 176.300 -0.372 0.000 1.067 54 M CA 1.719 56.631 55.300 -0.648 0.000 1.124 54 M CB -0.278 31.879 32.600 -0.739 0.000 1.353 54 M HN 0.112 nan 8.290 nan 0.000 0.410 55 I N 1.070 121.485 120.570 -0.257 0.000 2.163 55 I HA -0.313 3.857 4.170 0.001 0.000 0.243 55 I C 1.997 177.982 176.117 -0.219 0.000 1.085 55 I CA 1.469 62.645 61.300 -0.206 0.000 1.347 55 I CB -2.147 35.791 38.000 -0.104 0.000 1.044 55 I HN 0.406 nan 8.210 nan 0.000 0.408 56 N N 1.060 119.622 118.700 -0.230 0.000 2.104 56 N HA -0.126 4.615 4.740 0.001 0.000 0.190 56 N C 2.022 177.367 175.510 -0.276 0.000 1.024 56 N CA 1.490 54.395 53.050 -0.241 0.000 0.853 56 N CB -0.271 38.050 38.487 -0.277 0.000 1.008 56 N HN 0.278 nan 8.380 nan 0.000 0.424 57 S N 1.036 116.527 115.700 -0.348 0.000 2.383 57 S HA 0.044 4.515 4.470 0.001 0.000 0.227 57 S C 2.117 176.585 174.600 -0.220 0.000 1.026 57 S CA 0.481 58.519 58.200 -0.270 0.000 0.981 57 S CB -0.117 62.946 63.200 -0.228 0.000 0.818 57 S HN 0.258 nan 8.310 nan 0.000 0.472 58 L N 0.910 121.970 121.223 -0.272 0.000 2.093 58 L HA -0.042 4.298 4.340 0.001 0.000 0.208 58 L C 2.137 178.866 176.870 -0.234 0.000 1.085 58 L CA 0.864 55.519 54.840 -0.309 0.000 0.755 58 L CB -0.471 41.324 42.059 -0.440 0.000 0.904 58 L HN 0.300 nan 8.230 nan 0.000 0.435 59 L N -0.689 120.418 121.223 -0.193 0.000 2.056 59 L HA -0.213 4.128 4.340 0.001 0.000 0.207 59 L C 2.577 179.366 176.870 -0.136 0.000 1.078 59 L CA 1.258 56.011 54.840 -0.146 0.000 0.749 59 L CB -0.472 41.511 42.059 -0.125 0.000 0.901 59 L HN 0.296 nan 8.230 nan 0.000 0.433 60 E N 0.296 120.411 120.200 -0.140 0.000 2.077 60 E HA -0.263 4.088 4.350 0.001 0.000 0.193 60 E C 2.199 178.728 176.600 -0.119 0.000 0.989 60 E CA 1.144 57.476 56.400 -0.113 0.000 0.800 60 E CB -0.023 29.617 29.700 -0.099 0.000 0.746 60 E HN 0.260 nan 8.360 nan 0.000 0.452 61 L N 1.415 122.546 121.223 -0.154 0.000 2.079 61 L HA -0.194 4.147 4.340 0.001 0.000 0.210 61 L C 1.822 178.567 176.870 -0.209 0.000 1.081 61 L CA 2.158 56.881 54.840 -0.195 0.000 0.752 61 L CB -0.386 41.498 42.059 -0.292 0.000 0.896 61 L HN 0.075 nan 8.230 nan 0.000 0.433 62 D N -1.107 119.182 120.400 -0.184 0.000 2.178 62 D HA -0.197 4.444 4.640 0.001 0.000 0.202 62 D C 1.599 177.826 176.300 -0.121 0.000 0.974 62 D CA 1.243 55.152 54.000 -0.151 0.000 0.841 62 D CB 0.043 40.773 40.800 -0.117 0.000 0.953 62 D HN 0.417 nan 8.370 nan 0.000 0.478 63 D N 0.166 120.502 120.400 -0.107 0.000 2.117 63 D HA -0.114 4.527 4.640 0.001 0.000 0.198 63 D C 1.950 178.198 176.300 -0.086 0.000 0.982 63 D CA 0.689 54.639 54.000 -0.083 0.000 0.828 63 D CB -0.257 40.501 40.800 -0.070 0.000 0.967 63 D HN 0.268 nan 8.370 nan 0.000 0.464 64 E N 0.415 120.556 120.200 -0.099 0.000 2.160 64 E HA -0.107 4.244 4.350 0.001 0.000 0.195 64 E C 2.391 178.908 176.600 -0.139 0.000 0.991 64 E CA 0.317 56.659 56.400 -0.097 0.000 0.810 64 E CB -0.212 29.434 29.700 -0.090 0.000 0.742 64 E HN 0.376 nan 8.360 nan 0.000 0.466 65 L N 0.047 121.156 121.223 -0.191 0.000 2.109 65 L HA -0.073 4.267 4.340 0.001 0.000 0.207 65 L C 2.542 179.326 176.870 -0.143 0.000 1.086 65 L CA 0.776 55.461 54.840 -0.258 0.000 0.760 65 L CB -0.176 41.716 42.059 -0.279 0.000 0.910 65 L HN 0.006 nan 8.230 nan 0.000 0.437 66 R N 0.241 120.684 120.500 -0.095 0.000 2.148 66 R HA -0.107 4.233 4.340 0.001 0.000 0.227 66 R C 1.765 178.044 176.300 -0.035 0.000 1.103 66 R CA 0.800 56.869 56.100 -0.052 0.000 0.983 66 R CB -0.072 30.201 30.300 -0.045 0.000 0.874 66 R HN 0.292 nan 8.270 nan 0.000 0.451 67 K N 0.513 120.888 120.400 -0.042 0.000 2.525 67 K HA -0.021 4.299 4.320 0.001 0.000 0.192 67 K C 0.669 177.267 176.600 -0.003 0.000 1.029 67 K CA 0.709 56.983 56.287 -0.021 0.000 1.029 67 K CB 0.302 32.788 32.500 -0.024 0.000 0.814 67 K HN 0.063 nan 8.250 nan 0.000 0.503 68 K N -0.197 120.200 120.400 -0.004 0.000 2.592 68 K HA 0.113 4.434 4.320 0.001 0.000 0.203 68 K C 0.103 176.744 176.600 0.068 0.000 1.070 68 K CA 0.046 56.361 56.287 0.048 0.000 1.062 68 K CB 1.492 34.039 32.500 0.080 0.000 0.814 68 K HN 0.192 nan 8.250 nan 0.000 0.502 69 G N 1.784 110.606 108.800 0.037 0.000 2.323 69 G HA2 -0.271 3.689 3.960 0.001 0.000 0.292 69 G HA3 -0.271 3.689 3.960 0.001 0.000 0.292 69 G C -0.067 174.869 174.900 0.060 0.000 1.040 69 G CA 0.990 46.117 45.100 0.044 0.000 0.942 69 G HN 0.375 nan 8.290 nan 0.000 0.506 70 S N -0.914 114.806 115.700 0.033 0.000 2.973 70 S HA 0.938 5.409 4.470 0.001 0.000 0.317 70 S C -0.228 174.367 174.600 -0.008 0.000 1.196 70 S CA 0.406 58.630 58.200 0.041 0.000 0.894 70 S CB 1.404 64.645 63.200 0.068 0.000 1.292 70 S HN 1.662 nan 8.310 nan 0.000 0.614 71 R N -0.069 120.424 120.500 -0.012 0.000 2.828 71 R HA 0.495 4.835 4.340 0.001 0.000 0.280 71 R C -2.237 174.059 176.300 -0.007 0.000 1.020 71 R CA -0.888 55.193 56.100 -0.031 0.000 0.855 71 R CB -0.098 30.194 30.300 -0.013 0.000 1.278 71 R HN 0.495 nan 8.270 nan 0.000 0.495 72 L N 1.991 123.198 121.223 -0.026 0.000 2.410 72 L HA 0.311 4.651 4.340 0.001 0.000 0.273 72 L C -0.652 176.255 176.870 0.062 0.000 1.144 72 L CA 0.163 55.015 54.840 0.020 0.000 0.863 72 L CB 0.561 42.596 42.059 -0.039 0.000 1.140 72 L HN 0.550 nan 8.230 nan 0.000 0.463 73 N N 4.908 123.688 118.700 0.134 0.000 2.462 73 N HA 0.219 4.959 4.740 0.001 0.000 0.242 73 N C -1.002 174.531 175.510 0.038 0.000 1.010 73 N CA -0.301 52.786 53.050 0.061 0.000 0.939 73 N CB 1.501 40.101 38.487 0.188 0.000 1.127 73 N HN 0.336 nan 8.380 nan 0.000 0.509 74 V N 3.495 123.331 119.914 -0.131 0.000 2.539 74 V HA 0.529 4.650 4.120 0.001 0.000 0.292 74 V C -0.226 175.613 176.094 -0.425 0.000 1.045 74 V CA -0.348 61.940 62.300 -0.019 0.000 0.945 74 V CB 0.547 32.486 31.823 0.192 0.000 0.993 74 V HN 0.395 nan 8.190 nan 0.000 0.464 75 F N 3.128 123.139 119.950 0.102 0.000 2.620 75 F HA 0.685 5.212 4.527 0.001 0.000 0.320 75 F C -0.648 175.221 175.800 0.115 0.000 1.069 75 F CA -0.768 57.199 58.000 -0.054 0.000 0.953 75 F CB 2.029 40.919 39.000 -0.183 0.000 1.322 75 F HN 0.398 nan 8.300 nan 0.000 0.479 76 F N 0.701 120.722 119.950 0.117 0.000 2.551 76 F HA 0.827 5.354 4.527 0.001 0.000 0.316 76 F C -0.111 175.779 175.800 0.151 0.000 1.089 76 F CA -0.375 57.720 58.000 0.158 0.000 0.915 76 F CB 1.736 40.798 39.000 0.103 0.000 1.186 76 F HN 0.718 nan 8.300 nan 0.000 0.456 77 G N 3.944 112.272 108.800 -0.787 0.000 2.347 77 G HA2 0.051 4.011 3.960 0.001 0.000 0.341 77 G HA3 0.051 4.011 3.960 0.001 0.000 0.341 77 G C -1.711 172.999 174.900 -0.317 0.000 1.287 77 G CA -1.185 43.610 45.100 -0.508 0.000 0.984 77 G HN 0.700 nan 8.290 nan 0.000 0.526 78 E N 0.606 120.692 120.200 -0.190 0.000 2.290 78 E HA 0.435 4.786 4.350 0.001 0.000 0.277 78 E C 1.566 178.097 176.600 -0.114 0.000 1.035 78 E CA 0.175 56.502 56.400 -0.122 0.000 0.873 78 E CB 1.491 31.139 29.700 -0.086 0.000 1.029 78 E HN 0.955 nan 8.360 nan 0.000 0.419 79 A N 5.237 127.995 122.820 -0.103 0.000 1.894 79 A HA -0.350 3.971 4.320 0.001 0.000 0.220 79 A C 1.991 179.506 177.584 -0.114 0.000 1.237 79 A CA 2.324 54.301 52.037 -0.099 0.000 0.660 79 A CB -0.617 18.325 19.000 -0.097 0.000 0.835 79 A HN 0.844 nan 8.150 nan 0.000 0.461 80 E N 0.329 120.446 120.200 -0.139 0.000 2.085 80 E HA -0.260 4.090 4.350 0.001 0.000 0.194 80 E C 1.830 178.349 176.600 -0.134 0.000 0.994 80 E CA 1.729 58.040 56.400 -0.149 0.000 0.801 80 E CB -0.563 29.041 29.700 -0.160 0.000 0.743 80 E HN 0.734 nan 8.360 nan 0.000 0.453 81 K N 0.694 121.022 120.400 -0.119 0.000 2.148 81 K HA -0.022 4.299 4.320 0.001 0.000 0.204 81 K C 2.374 178.900 176.600 -0.124 0.000 1.050 81 K CA 1.123 57.343 56.287 -0.112 0.000 0.942 81 K CB -0.039 32.409 32.500 -0.087 0.000 0.724 81 K HN -0.032 nan 8.250 nan 0.000 0.446 82 V N 0.925 120.769 119.914 -0.118 0.000 2.307 82 V HA -0.229 3.892 4.120 0.001 0.000 0.245 82 V C 2.248 178.126 176.094 -0.360 0.000 1.045 82 V CA 1.469 63.691 62.300 -0.131 0.000 1.024 82 V CB -0.318 31.414 31.823 -0.153 0.000 0.651 82 V HN 0.071 nan 8.190 nan 0.000 0.449 83 V N -0.269 119.461 119.914 -0.306 0.000 2.282 83 V HA -0.312 3.808 4.120 0.001 0.000 0.249 83 V C 2.704 178.655 176.094 -0.238 0.000 1.057 83 V CA 2.533 64.689 62.300 -0.240 0.000 1.032 83 V CB -0.823 31.003 31.823 0.004 0.000 0.645 83 V HN 0.624 nan 8.190 nan 0.000 0.447 84 S N -0.420 115.168 115.700 -0.186 0.000 2.365 84 S HA -0.241 4.229 4.470 0.001 0.000 0.225 84 S C 2.156 176.621 174.600 -0.224 0.000 1.039 84 S CA 1.846 59.947 58.200 -0.165 0.000 1.033 84 S CB -0.221 62.892 63.200 -0.145 0.000 0.887 84 S HN 0.596 nan 8.310 nan 0.000 0.447 85 R N -0.832 119.478 120.500 -0.316 0.000 2.073 85 R HA 0.014 4.354 4.340 0.001 0.000 0.229 85 R C 1.904 177.818 176.300 -0.643 0.000 1.120 85 R CA 1.492 57.284 56.100 -0.513 0.000 0.967 85 R CB -0.545 29.320 30.300 -0.725 0.000 0.862 85 R HN 0.507 nan 8.270 nan 0.000 0.436 86 F N -1.046 118.618 119.950 -0.477 0.000 2.622 86 F HA 0.163 4.690 4.527 0.001 0.000 0.288 86 F C 1.201 176.844 175.800 -0.261 0.000 1.120 86 F CA 0.133 57.848 58.000 -0.475 0.000 1.423 86 F CB 0.162 38.682 39.000 -0.801 0.000 1.127 86 F HN -0.160 nan 8.300 nan 0.000 0.588 87 F N 0.492 120.461 119.950 0.032 0.000 2.641 87 F HA 0.174 4.702 4.527 0.001 0.000 0.302 87 F C 1.365 177.166 175.800 0.003 0.000 1.098 87 F CA -1.046 56.960 58.000 0.010 0.000 1.318 87 F CB -1.876 37.109 39.000 -0.024 0.000 1.035 87 F HN -0.002 nan 8.300 nan 0.000 0.551 88 N N 1.234 119.995 118.700 0.103 0.000 2.322 88 N HA -0.240 4.500 4.740 0.001 0.000 0.189 88 N C 1.014 176.565 175.510 0.069 0.000 1.012 88 N CA 1.455 54.536 53.050 0.052 0.000 0.880 88 N CB -0.543 37.939 38.487 -0.009 0.000 0.967 88 N HN 0.271 nan 8.380 nan 0.000 0.439 89 K N -0.292 120.167 120.400 0.099 0.000 2.373 89 K HA 0.231 4.551 4.320 0.001 0.000 0.202 89 K C -0.159 176.498 176.600 0.095 0.000 1.025 89 K CA -0.243 56.095 56.287 0.085 0.000 1.115 89 K CB 0.855 33.403 32.500 0.078 0.000 0.858 89 K HN 0.043 nan 8.250 nan 0.000 0.525 90 V N 1.404 121.389 119.914 0.118 0.000 3.083 90 V HA -0.032 4.088 4.120 0.001 0.000 0.306 90 V C 0.593 176.735 176.094 0.080 0.000 1.077 90 V CA 0.332 62.690 62.300 0.097 0.000 1.073 90 V CB 1.475 33.348 31.823 0.082 0.000 1.081 90 V HN 0.137 nan 8.190 nan 0.000 0.474 91 D N 2.075 122.521 120.400 0.076 0.000 2.110 91 D HA 0.255 4.895 4.640 0.001 0.000 0.202 91 D C 0.311 176.656 176.300 0.076 0.000 0.975 91 D CA 1.729 55.773 54.000 0.074 0.000 0.839 91 D CB 0.038 40.886 40.800 0.079 0.000 0.996 91 D HN 0.758 nan 8.370 nan 0.000 0.464 92 A N -0.698 122.184 122.820 0.103 0.000 2.569 92 A HA 0.729 5.049 4.320 0.001 0.000 0.290 92 A C -1.437 176.220 177.584 0.121 0.000 1.136 92 A CA -0.564 51.524 52.037 0.085 0.000 0.710 92 A CB 1.376 20.430 19.000 0.090 0.000 1.303 92 A HN 0.050 nan 8.150 nan 0.000 0.413 93 I N 0.630 121.236 120.570 0.061 0.000 2.499 93 I HA 0.414 4.584 4.170 0.001 0.000 0.288 93 I C -1.635 174.482 176.117 0.001 0.000 1.048 93 I CA -0.332 61.042 61.300 0.124 0.000 1.062 93 I CB 1.902 40.020 38.000 0.197 0.000 1.238 93 I HN 0.646 nan 8.210 nan 0.000 0.426 94 Y N 5.404 125.727 120.300 0.039 0.000 2.446 94 Y HA 0.748 5.299 4.550 0.001 0.000 0.338 94 Y C 0.107 175.973 175.900 -0.056 0.000 1.055 94 Y CA -0.763 57.385 58.100 0.080 0.000 1.101 94 Y CB 2.099 40.747 38.460 0.314 0.000 1.221 94 Y HN 0.318 nan 8.280 nan 0.000 0.460 95 V N -0.856 119.101 119.914 0.071 0.000 3.253 95 V HA 0.590 4.711 4.120 0.001 0.000 0.300 95 V C -1.652 174.488 176.094 0.076 0.000 1.398 95 V CA -1.367 60.883 62.300 -0.082 0.000 1.067 95 V CB 2.302 34.037 31.823 -0.146 0.000 1.102 95 V HN 0.762 nan 8.190 nan 0.000 0.455 96 N N 1.603 120.315 118.700 0.020 0.000 2.446 96 N HA 0.431 5.171 4.740 0.001 0.000 0.265 96 N C -0.583 174.844 175.510 -0.138 0.000 0.975 96 N CA -0.682 52.326 53.050 -0.071 0.000 0.928 96 N CB 1.403 39.744 38.487 -0.243 0.000 1.160 96 N HN 0.957 nan 8.380 nan 0.000 0.495 97 E N 1.523 121.611 120.200 -0.187 0.000 2.436 97 E HA 0.009 4.359 4.350 0.001 0.000 0.262 97 E C -0.827 175.566 176.600 -0.344 0.000 1.063 97 E CA -0.025 56.227 56.400 -0.247 0.000 0.944 97 E CB 0.845 30.360 29.700 -0.307 0.000 0.950 97 E HN 0.350 nan 8.360 nan 0.000 0.444 98 D N 0.550 120.721 120.400 -0.382 0.000 2.654 98 D HA 0.226 4.867 4.640 0.001 0.000 0.255 98 D C -0.943 174.835 176.300 -0.869 0.000 1.101 98 D CA -0.805 52.940 54.000 -0.426 0.000 1.116 98 D CB 0.896 41.675 40.800 -0.034 0.000 1.348 98 D HN 0.571 nan 8.370 nan 0.000 0.609 99 Y N -0.552 119.761 120.300 0.022 0.000 2.715 99 Y HA 0.203 4.753 4.550 0.001 0.000 0.255 99 Y C 0.382 176.383 175.900 0.168 0.000 1.139 99 Y CA -0.533 57.579 58.100 0.021 0.000 1.151 99 Y CB 0.518 38.881 38.460 -0.161 0.000 1.201 99 Y HN 0.087 nan 8.280 nan 0.000 0.556 100 T N -4.155 110.500 114.554 0.168 0.000 2.940 100 T HA 0.359 4.710 4.350 0.001 0.000 0.288 100 T C -2.123 172.631 174.700 0.089 0.000 1.033 100 T CA -2.499 59.676 62.100 0.126 0.000 1.033 100 T CB 2.438 71.270 68.868 -0.059 0.000 1.079 100 T HN -0.286 nan 8.240 nan 0.000 0.496 101 P HA -0.129 nan 4.420 nan 0.000 0.215 101 P C 1.242 178.556 177.300 0.023 0.000 1.163 101 P CA 0.984 64.112 63.100 0.046 0.000 0.894 101 P CB -0.142 31.578 31.700 0.033 0.000 0.791 102 F N 0.057 119.937 119.950 -0.118 0.000 2.126 102 F HA -0.221 4.306 4.527 0.001 0.000 0.299 102 F C 2.460 178.217 175.800 -0.073 0.000 1.096 102 F CA 2.047 59.985 58.000 -0.102 0.000 1.255 102 F CB -0.832 38.088 39.000 -0.135 0.000 0.997 102 F HN -0.116 nan 8.300 nan 0.000 0.479 103 S N 0.157 115.866 115.700 0.016 0.000 2.387 103 S HA -0.114 4.357 4.470 0.001 0.000 0.226 103 S C 2.048 176.576 174.600 -0.119 0.000 1.026 103 S CA 1.429 59.589 58.200 -0.066 0.000 0.972 103 S CB -0.573 62.651 63.200 0.040 0.000 0.814 103 S HN 0.450 nan 8.310 nan 0.000 0.477 104 I N 1.848 122.382 120.570 -0.061 0.000 2.252 104 I HA -0.123 4.047 4.170 0.001 0.000 0.245 104 I C 2.758 178.823 176.117 -0.086 0.000 1.102 104 I CA 1.409 62.688 61.300 -0.035 0.000 1.385 104 I CB -0.368 37.656 38.000 0.040 0.000 1.064 104 I HN 0.467 nan 8.210 nan 0.000 0.414 105 S N 0.818 116.438 115.700 -0.134 0.000 2.428 105 S HA -0.181 4.289 4.470 0.001 0.000 0.230 105 S C 2.179 176.640 174.600 -0.232 0.000 1.014 105 S CA 0.642 58.748 58.200 -0.156 0.000 0.957 105 S CB -0.414 62.699 63.200 -0.145 0.000 0.784 105 S HN 0.387 nan 8.310 nan 0.000 0.499 106 R N 1.145 121.434 120.500 -0.353 0.000 2.096 106 R HA -0.102 4.238 4.340 0.001 0.000 0.235 106 R C 1.098 177.246 176.300 -0.254 0.000 1.127 106 R CA 1.932 57.797 56.100 -0.391 0.000 0.968 106 R CB -0.449 29.498 30.300 -0.589 0.000 0.861 106 R HN 0.363 nan 8.270 nan 0.000 0.440 107 D N 0.205 120.500 120.400 -0.174 0.000 2.194 107 D HA -0.089 4.552 4.640 0.001 0.000 0.204 107 D C 1.597 177.791 176.300 -0.176 0.000 0.964 107 D CA 0.963 54.900 54.000 -0.105 0.000 0.846 107 D CB 0.022 40.869 40.800 0.078 0.000 0.962 107 D HN 0.401 nan 8.370 nan 0.000 0.490 108 E N 0.698 120.817 120.200 -0.134 0.000 2.077 108 E HA -0.132 4.219 4.350 0.001 0.000 0.193 108 E C 1.861 178.351 176.600 -0.183 0.000 0.989 108 E CA 0.790 57.115 56.400 -0.125 0.000 0.800 108 E CB 0.025 29.672 29.700 -0.088 0.000 0.746 108 E HN 0.270 nan 8.360 nan 0.000 0.452 109 K N 0.596 120.878 120.400 -0.196 0.000 2.097 109 K HA -0.088 4.232 4.320 0.001 0.000 0.205 109 K C 2.198 178.642 176.600 -0.260 0.000 1.050 109 K CA 0.943 57.111 56.287 -0.197 0.000 0.938 109 K CB -0.118 32.274 32.500 -0.180 0.000 0.718 109 K HN 0.144 nan 8.250 nan 0.000 0.442 110 I N 0.791 121.146 120.570 -0.358 0.000 2.286 110 I HA -0.266 3.905 4.170 0.001 0.000 0.248 110 I C 2.716 178.443 176.117 -0.650 0.000 1.115 110 I CA 1.017 62.019 61.300 -0.497 0.000 1.392 110 I CB -0.235 37.381 38.000 -0.639 0.000 1.065 110 I HN 0.165 nan 8.210 nan 0.000 0.418 111 R N 1.519 121.605 120.500 -0.691 0.000 2.073 111 R HA -0.185 4.155 4.340 0.001 0.000 0.234 111 R C 2.308 178.459 176.300 -0.247 0.000 1.134 111 R CA 1.549 57.357 56.100 -0.487 0.000 0.952 111 R CB -0.043 30.123 30.300 -0.222 0.000 0.850 111 R HN 0.228 nan 8.270 nan 0.000 0.433 112 K N -0.169 120.112 120.400 -0.198 0.000 2.009 112 K HA -0.139 4.182 4.320 0.001 0.000 0.210 112 K C 1.999 178.523 176.600 -0.127 0.000 1.049 112 K CA 1.876 58.084 56.287 -0.132 0.000 0.929 112 K CB -0.217 32.214 32.500 -0.115 0.000 0.714 112 K HN 0.068 nan 8.250 nan 0.000 0.440 113 V N 0.964 120.785 119.914 -0.155 0.000 2.469 113 V HA -0.318 3.802 4.120 0.001 0.000 0.251 113 V C 2.394 178.424 176.094 -0.108 0.000 1.064 113 V CA 1.472 63.695 62.300 -0.127 0.000 1.066 113 V CB -0.505 31.233 31.823 -0.142 0.000 0.667 113 V HN 0.456 nan 8.190 nan 0.000 0.461 114 C N -0.303 118.913 119.300 -0.141 0.000 2.466 114 C HA -0.091 4.369 4.460 0.001 0.000 0.278 114 C C 2.686 177.649 174.990 -0.045 0.000 1.288 114 C CA 0.836 59.803 59.018 -0.085 0.000 1.722 114 C CB -0.773 26.905 27.740 -0.103 0.000 2.017 114 C HN 0.621 nan 8.230 nan 0.000 0.488 115 E N 0.480 120.647 120.200 -0.055 0.000 2.150 115 E HA -0.151 4.199 4.350 0.001 0.000 0.193 115 E C 1.296 177.878 176.600 -0.031 0.000 0.985 115 E CA 0.830 57.209 56.400 -0.034 0.000 0.814 115 E CB -0.129 29.548 29.700 -0.038 0.000 0.752 115 E HN 0.683 nan 8.360 nan 0.000 0.466 116 E N 0.376 120.551 120.200 -0.041 0.000 2.320 116 E HA 0.084 4.434 4.350 0.001 0.000 0.189 116 E C 0.229 176.811 176.600 -0.030 0.000 1.100 116 E CA -0.086 56.293 56.400 -0.036 0.000 1.009 116 E CB 0.195 29.868 29.700 -0.045 0.000 1.145 116 E HN 0.177 nan 8.360 nan 0.000 0.454 117 N N -0.723 117.965 118.700 -0.021 0.000 1.899 117 N HA 0.012 4.752 4.740 0.001 0.000 0.223 117 N C 0.573 176.085 175.510 0.003 0.000 1.411 117 N CA 0.575 53.619 53.050 -0.009 0.000 0.737 117 N CB 1.647 40.129 38.487 -0.009 0.000 1.100 117 N HN 0.262 nan 8.380 nan 0.000 0.527 118 G N 2.055 110.855 108.800 0.001 0.000 2.176 118 G HA2 -0.258 3.702 3.960 0.001 0.000 0.252 118 G HA3 -0.258 3.702 3.960 0.001 0.000 0.252 118 G C -0.088 174.823 174.900 0.019 0.000 1.024 118 G CA 0.187 45.292 45.100 0.008 0.000 0.755 118 G HN 0.308 nan 8.290 nan 0.000 0.507 119 I N 0.326 120.908 120.570 0.021 0.000 2.336 119 I HA 0.311 4.482 4.170 0.001 0.000 0.292 119 I C 0.675 176.814 176.117 0.036 0.000 0.991 119 I CA -0.669 60.653 61.300 0.037 0.000 1.227 119 I CB 1.546 39.577 38.000 0.052 0.000 1.366 119 I HN 0.131 nan 8.210 nan 0.000 0.466 120 E N 5.271 125.486 120.200 0.025 0.000 2.316 120 E HA 0.144 4.495 4.350 0.001 0.000 0.275 120 E C -1.432 175.173 176.600 0.009 0.000 1.029 120 E CA -0.387 56.010 56.400 -0.005 0.000 0.871 120 E CB 0.912 30.583 29.700 -0.048 0.000 1.022 120 E HN 0.349 nan 8.360 nan 0.000 0.418 121 F N 5.083 124.930 119.950 -0.172 0.000 2.375 121 F HA 0.326 4.853 4.527 0.001 0.000 0.361 121 F C -0.854 174.775 175.800 -0.285 0.000 1.117 121 F CA -0.851 57.027 58.000 -0.203 0.000 1.037 121 F CB 0.562 39.476 39.000 -0.144 0.000 1.192 121 F HN 0.196 nan 8.300 nan 0.000 0.452 122 K N 5.894 125.798 120.400 -0.827 0.000 2.339 122 K HA 0.765 5.085 4.320 0.001 0.000 0.264 122 K C -0.885 175.128 176.600 -0.980 0.000 0.986 122 K CA -0.825 54.924 56.287 -0.898 0.000 0.866 122 K CB 1.748 33.729 32.500 -0.864 0.000 1.103 122 K HN 0.580 nan 8.250 nan 0.000 0.441 123 A N 3.479 125.702 122.820 -0.995 0.000 2.337 123 A HA 0.708 5.029 4.320 0.001 0.000 0.329 123 A C -1.403 175.735 177.584 -0.744 0.000 1.146 123 A CA -0.572 51.040 52.037 -0.708 0.000 0.800 123 A CB 0.501 19.167 19.000 -0.556 0.000 1.220 123 A HN 0.655 nan 8.150 nan 0.000 0.472 124 Y N -0.004 120.191 120.300 -0.175 0.000 2.570 124 Y HA 0.431 4.981 4.550 0.001 0.000 0.345 124 Y C 0.328 176.173 175.900 -0.090 0.000 1.014 124 Y CA -0.708 57.325 58.100 -0.112 0.000 1.063 124 Y CB 1.667 40.107 38.460 -0.035 0.000 1.272 124 Y HN 0.685 nan 8.280 nan 0.000 0.477 125 E N 0.821 121.101 120.200 0.135 0.000 2.289 125 E HA 0.129 4.480 4.350 0.001 0.000 0.278 125 E C -0.622 176.020 176.600 0.069 0.000 1.032 125 E CA 0.270 56.729 56.400 0.100 0.000 0.854 125 E CB 1.175 30.957 29.700 0.135 0.000 1.046 125 E HN 0.809 nan 8.360 nan 0.000 0.409 126 D N 1.293 121.672 120.400 -0.034 0.000 1.927 126 D HA -0.014 4.627 4.640 0.001 0.000 0.390 126 D C 0.634 176.933 176.300 -0.002 0.000 1.045 126 D CA -0.023 53.938 54.000 -0.066 0.000 0.947 126 D CB -0.194 40.500 40.800 -0.177 0.000 1.818 126 D HN 0.517 nan 8.370 nan 0.000 0.543 127 Y N 0.874 121.284 120.300 0.182 0.000 2.293 127 Y HA 0.111 4.662 4.550 0.001 0.000 0.291 127 Y C 0.713 176.680 175.900 0.111 0.000 1.137 127 Y CA 0.165 58.362 58.100 0.162 0.000 1.202 127 Y CB 0.131 38.715 38.460 0.207 0.000 0.990 127 Y HN -0.043 nan 8.280 nan 0.000 0.537 128 L N -0.102 121.255 121.223 0.224 0.000 2.399 128 L HA 0.074 4.415 4.340 0.001 0.000 0.266 128 L C 0.806 177.712 176.870 0.060 0.000 1.114 128 L CA -0.445 54.452 54.840 0.094 0.000 0.804 128 L CB 0.872 42.929 42.059 -0.002 0.000 1.146 128 L HN 0.052 nan 8.230 nan 0.000 0.451 129 L N 0.783 122.011 121.223 0.009 0.000 2.270 129 L HA 0.079 4.420 4.340 0.001 0.000 0.210 129 L C 0.981 177.841 176.870 -0.016 0.000 1.104 129 L CA 1.064 55.856 54.840 -0.080 0.000 0.804 129 L CB -0.037 41.847 42.059 -0.292 0.000 0.937 129 L HN 0.850 nan 8.230 nan 0.000 0.450 130 T N -3.398 111.204 114.554 0.080 0.000 2.907 130 T HA 0.591 4.942 4.350 0.001 0.000 0.292 130 T C -2.767 172.003 174.700 0.117 0.000 1.043 130 T CA -2.195 59.976 62.100 0.118 0.000 1.003 130 T CB 1.579 70.571 68.868 0.206 0.000 1.084 130 T HN -0.257 nan 8.240 nan 0.000 0.483 131 P HA 0.177 nan 4.420 nan 0.000 0.268 131 P C 0.722 178.121 177.300 0.164 0.000 1.204 131 P CA -0.558 62.616 63.100 0.123 0.000 0.768 131 P CB 0.594 32.364 31.700 0.118 0.000 0.842 132 K N 1.345 121.827 120.400 0.137 0.000 2.280 132 K HA -0.126 4.194 4.320 0.001 0.000 0.202 132 K C 1.541 178.375 176.600 0.390 0.000 1.047 132 K CA 1.721 58.126 56.287 0.195 0.000 0.942 132 K CB -0.553 31.962 32.500 0.024 0.000 0.739 132 K HN 0.385 nan 8.250 nan 0.000 0.457 133 S N 1.758 117.641 115.700 0.305 0.000 2.419 133 S HA -0.073 4.397 4.470 0.001 0.000 0.233 133 S C 1.877 176.656 174.600 0.300 0.000 1.016 133 S CA 0.690 59.074 58.200 0.306 0.000 0.974 133 S CB -0.639 62.688 63.200 0.211 0.000 0.786 133 S HN 0.362 nan 8.310 nan 0.000 0.492 134 L N 0.077 121.474 121.223 0.290 0.000 2.622 134 L HA 0.276 4.616 4.340 0.001 0.000 0.233 134 L C 0.616 177.677 176.870 0.318 0.000 1.156 134 L CA 0.046 55.050 54.840 0.273 0.000 0.866 134 L CB -0.526 41.655 42.059 0.204 0.000 0.980 134 L HN 0.306 nan 8.230 nan 0.000 0.448 135 F N 1.911 122.005 119.950 0.240 0.000 2.404 135 F HA 0.233 4.760 4.527 0.001 0.000 0.345 135 F C 0.974 176.764 175.800 -0.016 0.000 1.110 135 F CA -0.552 57.571 58.000 0.206 0.000 1.130 135 F CB 0.268 39.428 39.000 0.267 0.000 1.129 135 F HN 0.146 nan 8.300 nan 0.000 0.500 136 H N 2.961 121.594 119.070 -0.728 0.000 3.943 136 H HA 0.142 4.699 4.556 0.001 0.000 0.229 136 H C -1.481 173.323 175.328 -0.874 0.000 1.215 136 H CA -0.655 54.956 56.048 -0.728 0.000 1.179 136 H CB -1.229 28.244 29.762 -0.482 0.000 3.217 136 H HN 0.618 nan 8.280 nan 0.000 0.594 137 H N 1.111 119.665 119.070 -0.861 0.000 2.569 137 H HA 0.348 4.904 4.556 0.001 0.000 0.357 137 H C 1.473 176.786 175.328 -0.025 0.000 1.153 137 H CA -0.574 55.292 56.048 -0.303 0.000 1.193 137 H CB 1.978 31.635 29.762 -0.176 0.000 1.602 137 H HN 0.348 nan 8.280 nan 0.000 0.523 138 R N 1.734 122.385 120.500 0.251 0.000 2.075 138 R HA 0.026 4.366 4.340 0.001 0.000 0.226 138 R C -0.232 176.361 176.300 0.489 0.000 1.114 138 R CA 1.087 57.412 56.100 0.375 0.000 0.972 138 R CB -0.142 30.344 30.300 0.310 0.000 0.869 138 R HN 0.761 nan 8.270 nan 0.000 0.437 139 N N -2.122 116.793 118.700 0.359 0.000 2.629 139 N HA 0.120 4.860 4.740 0.001 0.000 0.279 139 N C -0.183 175.226 175.510 -0.168 0.000 1.344 139 N CA -0.900 52.289 53.050 0.232 0.000 0.789 139 N CB 0.818 39.450 38.487 0.242 0.000 1.508 139 N HN -0.095 nan 8.380 nan 0.000 0.516 140 F N 0.811 120.289 119.950 -0.785 0.000 2.102 140 F HA -0.157 4.370 4.527 0.001 0.000 0.298 140 F C 2.729 178.206 175.800 -0.540 0.000 1.105 140 F CA 2.288 59.526 58.000 -1.269 0.000 1.239 140 F CB -0.570 37.311 39.000 -1.865 0.000 0.991 140 F HN 0.772 nan 8.300 nan 0.000 0.474 141 T N -2.607 111.721 114.554 -0.376 0.000 2.759 141 T HA -0.229 4.121 4.350 0.001 0.000 0.269 141 T C 2.314 176.840 174.700 -0.290 0.000 1.042 141 T CA 1.720 63.644 62.100 -0.293 0.000 1.140 141 T CB -1.095 67.760 68.868 -0.021 0.000 0.864 141 T HN 0.325 nan 8.240 nan 0.000 0.455 142 S N 0.177 115.770 115.700 -0.178 0.000 2.356 142 S HA -0.069 4.402 4.470 0.001 0.000 0.223 142 S C 1.640 176.093 174.600 -0.245 0.000 1.032 142 S CA 1.232 59.380 58.200 -0.087 0.000 1.005 142 S CB -0.849 62.402 63.200 0.085 0.000 0.867 142 S HN 0.575 nan 8.310 nan 0.000 0.449 143 F N 1.295 120.879 119.950 -0.609 0.000 2.069 143 F HA -0.110 4.418 4.527 0.001 0.000 0.298 143 F C 2.068 177.372 175.800 -0.827 0.000 1.113 143 F CA 1.992 59.369 58.000 -1.039 0.000 1.214 143 F CB -1.144 37.455 39.000 -0.668 0.000 0.978 143 F HN 0.392 nan 8.300 nan 0.000 0.474 144 Y N 1.655 121.228 120.300 -1.211 0.000 2.097 144 Y HA -0.261 4.290 4.550 0.001 0.000 0.282 144 Y C 2.277 177.657 175.900 -0.866 0.000 1.152 144 Y CA 2.356 59.709 58.100 -1.244 0.000 1.136 144 Y CB -1.281 36.411 38.460 -1.280 0.000 0.975 144 Y HN 0.245 nan 8.280 nan 0.000 0.498 145 N N -0.290 117.989 118.700 -0.703 0.000 2.149 145 N HA -0.235 4.505 4.740 0.001 0.000 0.188 145 N C 1.871 177.071 175.510 -0.517 0.000 1.019 145 N CA 1.277 53.986 53.050 -0.568 0.000 0.857 145 N CB -0.239 38.067 38.487 -0.303 0.000 0.997 145 N HN 0.537 nan 8.380 nan 0.000 0.426 146 E N 0.658 120.568 120.200 -0.484 0.000 2.051 146 E HA -0.069 4.282 4.350 0.001 0.000 0.189 146 E C 1.926 178.263 176.600 -0.439 0.000 0.979 146 E CA 0.504 56.699 56.400 -0.341 0.000 0.803 146 E CB 0.135 29.756 29.700 -0.131 0.000 0.761 146 E HN 0.036 nan 8.360 nan 0.000 0.451 147 V N 0.774 120.262 119.914 -0.710 0.000 2.719 147 V HA -0.147 3.974 4.120 0.001 0.000 0.252 147 V C 2.168 177.879 176.094 -0.639 0.000 1.065 147 V CA 1.825 63.725 62.300 -0.668 0.000 1.086 147 V CB -0.121 31.123 31.823 -0.965 0.000 0.700 147 V HN 0.497 nan 8.190 nan 0.000 0.467 148 S N -0.623 114.531 115.700 -0.910 0.000 2.474 148 S HA -0.187 4.283 4.470 0.001 0.000 0.235 148 S C 1.811 176.152 174.600 -0.432 0.000 0.997 148 S CA 1.218 58.921 58.200 -0.829 0.000 0.949 148 S CB -0.486 61.926 63.200 -1.312 0.000 0.766 148 S HN 0.686 nan 8.310 nan 0.000 0.517 149 K N 0.833 121.007 120.400 -0.376 0.000 2.288 149 K HA 0.135 4.455 4.320 0.001 0.000 0.201 149 K C 0.246 176.762 176.600 -0.140 0.000 1.048 149 K CA 0.322 56.477 56.287 -0.220 0.000 0.956 149 K CB -0.217 32.168 32.500 -0.193 0.000 0.746 149 K HN 0.284 nan 8.250 nan 0.000 0.461 150 V N 2.213 122.036 119.914 -0.153 0.000 2.924 150 V HA 0.017 4.137 4.120 0.001 0.000 0.305 150 V C 0.461 176.526 176.094 -0.050 0.000 1.073 150 V CA -0.509 61.742 62.300 -0.081 0.000 1.098 150 V CB 1.106 32.885 31.823 -0.075 0.000 1.000 150 V HN 0.106 nan 8.190 nan 0.000 0.484 151 K N 2.633 123.029 120.400 -0.007 0.000 2.248 151 K HA 0.367 4.687 4.320 0.001 0.000 0.281 151 K C -0.846 175.768 176.600 0.024 0.000 1.054 151 K CA -0.419 55.887 56.287 0.031 0.000 0.903 151 K CB 1.336 33.879 32.500 0.071 0.000 1.077 151 K HN 0.510 nan 8.250 nan 0.000 0.474 152 V N 5.105 124.999 119.914 -0.033 0.000 2.585 152 V HA 0.057 4.178 4.120 0.001 0.000 0.296 152 V C 0.959 177.153 176.094 0.165 0.000 1.035 152 V CA -0.102 62.146 62.300 -0.086 0.000 1.084 152 V CB 0.627 32.119 31.823 -0.551 0.000 0.953 152 V HN 0.757 nan 8.190 nan 0.000 0.483 153 R N 3.634 124.212 120.500 0.130 0.000 2.623 153 R HA 0.099 4.440 4.340 0.001 0.000 0.271 153 R C 0.096 176.546 176.300 0.250 0.000 1.043 153 R CA -0.161 56.031 56.100 0.153 0.000 1.083 153 R CB 0.444 30.801 30.300 0.095 0.000 0.974 153 R HN 0.777 nan 8.270 nan 0.000 0.436 154 E N 4.593 124.866 120.200 0.122 0.000 2.343 154 E HA 0.179 4.530 4.350 0.001 0.000 0.269 154 E C -2.170 174.423 176.600 -0.012 0.000 1.047 154 E CA -1.802 54.566 56.400 -0.054 0.000 0.874 154 E CB 0.817 30.365 29.700 -0.253 0.000 1.033 154 E HN 0.502 nan 8.360 nan 0.000 0.409 155 P HA -0.051 nan 4.420 nan 0.000 0.268 155 P C -0.990 176.291 177.300 -0.032 0.000 1.208 155 P CA 0.368 63.479 63.100 0.018 0.000 0.777 155 P CB 0.449 32.176 31.700 0.044 0.000 0.875 156 E N -0.831 119.349 120.200 -0.033 0.000 2.396 156 E HA 0.510 4.861 4.350 0.001 0.000 0.280 156 E C -1.755 174.803 176.600 -0.069 0.000 1.065 156 E CA -0.906 55.459 56.400 -0.060 0.000 0.831 156 E CB 1.022 30.672 29.700 -0.083 0.000 1.272 156 E HN 0.155 nan 8.360 nan 0.000 0.443 157 T N 1.880 116.389 114.554 -0.074 0.000 2.928 157 T HA 0.439 4.790 4.350 0.001 0.000 0.296 157 T C -0.762 173.877 174.700 -0.103 0.000 1.000 157 T CA -0.680 61.372 62.100 -0.079 0.000 0.989 157 T CB 1.135 69.983 68.868 -0.034 0.000 1.005 157 T HN 0.427 nan 8.240 nan 0.000 0.442 158 M N 2.328 121.840 119.600 -0.145 0.000 2.342 158 M HA 0.403 4.884 4.480 0.001 0.000 0.332 158 M C 0.352 176.572 176.300 -0.134 0.000 1.166 158 M CA -0.378 54.827 55.300 -0.158 0.000 1.086 158 M CB 0.663 33.127 32.600 -0.225 0.000 1.541 158 M HN 0.489 nan 8.290 nan 0.000 0.462 159 E N 0.153 120.282 120.200 -0.118 0.000 2.283 159 E HA 0.702 5.053 4.350 0.001 0.000 0.271 159 E C -0.112 176.397 176.600 -0.152 0.000 1.031 159 E CA -0.365 55.974 56.400 -0.102 0.000 0.868 159 E CB 1.351 31.011 29.700 -0.068 0.000 1.094 159 E HN 0.830 nan 8.360 nan 0.000 0.401 160 G N 0.386 109.079 108.800 -0.178 0.000 2.588 160 G HA2 0.348 4.308 3.960 0.001 0.000 0.281 160 G HA3 0.348 4.308 3.960 0.001 0.000 0.281 160 G C -1.278 173.482 174.900 -0.233 0.000 1.223 160 G CA -0.484 44.474 45.100 -0.237 0.000 0.871 160 G HN 0.357 nan 8.290 nan 0.000 0.492 161 S N -0.459 115.064 115.700 -0.296 0.000 2.614 161 S HA 0.636 5.107 4.470 0.001 0.000 0.288 161 S C -1.568 172.888 174.600 -0.239 0.000 1.137 161 S CA -0.338 57.752 58.200 -0.184 0.000 0.992 161 S CB 0.989 64.143 63.200 -0.078 0.000 1.026 161 S HN 0.382 nan 8.310 nan 0.000 0.486 162 F N 2.461 122.421 119.950 0.018 0.000 2.405 162 F HA 0.416 4.943 4.527 0.001 0.000 0.355 162 F C 0.758 176.587 175.800 0.049 0.000 1.121 162 F CA -0.596 57.430 58.000 0.042 0.000 1.112 162 F CB 0.957 39.991 39.000 0.057 0.000 1.126 162 F HN 0.467 nan 8.300 nan 0.000 0.481 163 D N 1.570 122.110 120.400 0.235 0.000 2.494 163 D HA 0.754 5.394 4.640 0.001 0.000 0.259 163 D C -1.150 175.257 176.300 0.179 0.000 1.109 163 D CA -0.258 53.841 54.000 0.165 0.000 1.040 163 D CB 1.828 42.698 40.800 0.116 0.000 1.175 163 D HN 0.181 nan 8.370 nan 0.000 0.584 164 V N -0.532 119.465 119.914 0.140 0.000 3.130 164 V HA 0.529 4.650 4.120 0.001 0.000 0.310 164 V C -0.563 175.611 176.094 0.133 0.000 1.158 164 V CA -0.765 61.615 62.300 0.133 0.000 1.029 164 V CB 2.352 34.233 31.823 0.097 0.000 1.057 164 V HN 0.639 nan 8.190 nan 0.000 0.436 165 T N 1.235 115.875 114.554 0.142 0.000 2.833 165 T HA 0.230 4.581 4.350 0.001 0.000 0.297 165 T C 0.311 175.074 174.700 0.105 0.000 1.015 165 T CA -0.343 61.854 62.100 0.161 0.000 0.963 165 T CB 1.127 70.156 68.868 0.269 0.000 0.955 165 T HN 0.720 nan 8.240 nan 0.000 0.449 166 D N 1.808 122.263 120.400 0.091 0.000 2.158 166 D HA -0.150 4.491 4.640 0.001 0.000 0.197 166 D C 2.344 178.671 176.300 0.044 0.000 0.995 166 D CA 1.722 55.757 54.000 0.059 0.000 0.846 166 D CB -0.098 40.738 40.800 0.060 0.000 0.941 166 D HN 0.605 nan 8.370 nan 0.000 0.456 167 S N 0.619 116.368 115.700 0.081 0.000 2.359 167 S HA -0.184 4.287 4.470 0.001 0.000 0.223 167 S C 1.286 175.862 174.600 -0.040 0.000 1.039 167 S CA 1.087 59.332 58.200 0.076 0.000 1.042 167 S CB -0.944 62.369 63.200 0.188 0.000 0.915 167 S HN 0.319 nan 8.310 nan 0.000 0.439 168 S N 1.832 117.446 115.700 -0.143 0.000 2.542 168 S HA 0.114 4.585 4.470 0.001 0.000 0.287 168 S C 0.322 174.717 174.600 -0.342 0.000 1.315 168 S CA -0.280 57.611 58.200 -0.516 0.000 1.037 168 S CB -0.432 62.341 63.200 -0.712 0.000 0.822 168 S HN 0.513 nan 8.310 nan 0.000 0.513 169 M N 2.391 121.741 119.600 -0.417 0.000 2.114 169 M HA 0.329 4.809 4.480 0.001 0.000 0.280 169 M C 0.276 176.497 176.300 -0.133 0.000 1.209 169 M CA -0.706 54.460 55.300 -0.224 0.000 1.044 169 M CB 0.278 32.725 32.600 -0.254 0.000 1.404 169 M HN 0.953 nan 8.290 nan 0.000 0.499 170 N N -1.404 117.280 118.700 -0.027 0.000 2.453 170 N HA 0.406 5.147 4.740 0.001 0.000 0.290 170 N C 0.432 175.989 175.510 0.078 0.000 1.250 170 N CA -0.971 52.085 53.050 0.011 0.000 0.815 170 N CB 0.435 38.920 38.487 -0.003 0.000 1.381 170 N HN 0.461 nan 8.380 nan 0.000 0.510 171 V N -3.291 116.652 119.914 0.048 0.000 2.511 171 V HA -0.305 3.815 4.120 0.001 0.000 0.257 171 V C 1.190 177.315 176.094 0.052 0.000 1.088 171 V CA 2.041 64.368 62.300 0.045 0.000 1.098 171 V CB -0.844 30.962 31.823 -0.029 0.000 0.674 171 V HN 0.585 nan 8.190 nan 0.000 0.470 172 D N 0.296 120.723 120.400 0.045 0.000 2.149 172 D HA -0.226 4.414 4.640 0.001 0.000 0.194 172 D C 1.740 178.073 176.300 0.056 0.000 1.001 172 D CA 1.935 55.954 54.000 0.031 0.000 0.849 172 D CB -0.451 40.366 40.800 0.029 0.000 0.939 172 D HN 0.620 nan 8.370 nan 0.000 0.449 173 F N 1.248 121.189 119.950 -0.015 0.000 2.154 173 F HA -0.179 4.349 4.527 0.001 0.000 0.301 173 F C 2.003 177.822 175.800 0.030 0.000 1.087 173 F CA 1.148 59.142 58.000 -0.010 0.000 1.274 173 F CB -0.425 38.586 39.000 0.019 0.000 1.009 173 F HN -0.045 nan 8.300 nan 0.000 0.485 174 L N -0.221 120.934 121.223 -0.113 0.000 2.362 174 L HA -0.201 4.139 4.340 0.001 0.000 0.219 174 L C 2.144 178.947 176.870 -0.111 0.000 1.134 174 L CA -0.003 54.789 54.840 -0.080 0.000 0.807 174 L CB -0.695 41.404 42.059 0.065 0.000 0.927 174 L HN 0.190 nan 8.230 nan 0.000 0.447 175 L N -0.220 120.911 121.223 -0.154 0.000 2.353 175 L HA -0.160 4.180 4.340 0.001 0.000 0.220 175 L C 2.513 179.253 176.870 -0.218 0.000 1.133 175 L CA 1.650 56.407 54.840 -0.139 0.000 0.798 175 L CB -1.771 40.223 42.059 -0.107 0.000 0.922 175 L HN 0.309 nan 8.230 nan 0.000 0.445 176 T N -0.579 113.723 114.554 -0.420 0.000 2.788 176 T HA -0.164 4.186 4.350 0.001 0.000 0.268 176 T C 1.581 175.974 174.700 -0.510 0.000 1.044 176 T CA 1.218 62.985 62.100 -0.555 0.000 1.139 176 T CB -0.324 67.989 68.868 -0.925 0.000 0.867 176 T HN 0.146 nan 8.240 nan 0.000 0.454 177 F N 1.151 120.992 119.950 -0.182 0.000 2.710 177 F HA 0.271 4.798 4.527 0.001 0.000 0.298 177 F C 1.219 176.969 175.800 -0.082 0.000 1.137 177 F CA -0.077 57.858 58.000 -0.109 0.000 1.444 177 F CB -0.199 38.752 39.000 -0.082 0.000 1.111 177 F HN -0.055 nan 8.300 nan 0.000 0.580 178 K N 1.671 122.094 120.400 0.038 0.000 2.250 178 K HA 0.116 4.437 4.320 0.001 0.000 0.285 178 K C 0.560 177.152 176.600 -0.014 0.000 1.097 178 K CA 0.019 56.315 56.287 0.014 0.000 0.913 178 K CB 0.328 32.819 32.500 -0.015 0.000 1.179 178 K HN 0.164 nan 8.250 nan 0.000 0.462 179 K N 3.123 123.519 120.400 -0.007 0.000 2.329 179 K HA 0.211 4.531 4.320 0.001 0.000 0.198 179 K C 0.348 176.934 176.600 -0.023 0.000 1.085 179 K CA 0.201 56.472 56.287 -0.027 0.000 0.961 179 K CB 0.651 33.129 32.500 -0.037 0.000 0.971 179 K HN 0.474 nan 8.250 nan 0.000 0.502 180 I N 2.017 122.575 120.570 -0.019 0.000 2.563 180 I HA 0.162 4.332 4.170 0.001 0.000 0.285 180 I C -1.608 174.587 176.117 0.131 0.000 1.123 180 I CA -0.470 60.835 61.300 0.008 0.000 1.059 180 I CB 1.568 39.504 38.000 -0.107 0.000 1.229 180 I HN 0.039 nan 8.210 nan 0.000 0.442 181 E N 4.335 124.652 120.200 0.195 0.000 2.313 181 E HA 0.217 4.567 4.350 0.001 0.000 0.272 181 E C -0.364 176.470 176.600 0.390 0.000 1.038 181 E CA -0.469 56.094 56.400 0.272 0.000 0.863 181 E CB 1.685 31.470 29.700 0.143 0.000 1.060 181 E HN 0.539 nan 8.360 nan 0.000 0.402 182 S N 2.756 118.660 115.700 0.339 0.000 2.531 182 S HA 0.092 4.562 4.470 0.001 0.000 0.279 182 S C -1.418 173.245 174.600 0.106 0.000 1.305 182 S CA -1.411 56.816 58.200 0.046 0.000 1.058 182 S CB 0.586 63.784 63.200 -0.003 0.000 0.899 182 S HN 0.360 nan 8.310 nan 0.000 0.493 183 P HA -0.016 nan 4.420 nan 0.000 0.234 183 P C 0.974 178.275 177.300 0.001 0.000 1.167 183 P CA 0.285 63.416 63.100 0.052 0.000 0.763 183 P CB 0.163 31.903 31.700 0.066 0.000 0.835 184 L N -1.848 119.359 121.223 -0.027 0.000 2.554 184 L HA 0.394 4.734 4.340 0.001 0.000 0.225 184 L C 0.157 176.710 176.870 -0.529 0.000 1.104 184 L CA 0.433 55.117 54.840 -0.260 0.000 0.866 184 L CB -0.228 41.640 42.059 -0.318 0.000 1.047 184 L HN -0.290 nan 8.230 nan 0.000 0.468 185 F N -1.691 118.288 119.950 0.048 0.000 2.613 185 F HA 0.518 5.046 4.527 0.001 0.000 0.314 185 F C 1.133 176.962 175.800 0.048 0.000 1.075 185 F CA -0.751 57.325 58.000 0.127 0.000 0.945 185 F CB 1.416 40.606 39.000 0.318 0.000 1.310 185 F HN -0.421 nan 8.300 nan 0.000 0.467 186 R N 0.441 121.047 120.500 0.177 0.000 2.521 186 R HA 0.419 4.759 4.340 0.001 0.000 0.289 186 R C 0.283 176.422 176.300 -0.269 0.000 0.936 186 R CA 0.140 56.224 56.100 -0.026 0.000 1.089 186 R CB 1.194 31.477 30.300 -0.029 0.000 1.348 186 R HN 0.928 nan 8.270 nan 0.000 0.536 187 G N 0.800 109.252 108.800 -0.582 0.000 2.855 187 G HA2 0.094 4.055 3.960 0.001 0.000 0.352 187 G HA3 0.094 4.055 3.960 0.001 0.000 0.352 187 G C 0.111 174.747 174.900 -0.439 0.000 1.415 187 G CA -0.447 43.851 45.100 -1.337 0.000 0.871 187 G HN 0.643 nan 8.290 nan 0.000 0.543 188 G N -1.349 107.249 108.800 -0.336 0.000 2.705 188 G HA2 0.210 4.170 3.960 0.001 0.000 0.686 188 G HA3 0.210 4.170 3.960 0.001 0.000 0.686 188 G C 0.713 175.722 174.900 0.182 0.000 1.285 188 G CA 0.794 45.868 45.100 -0.043 0.000 0.800 188 G HN 1.841 nan 8.290 nan 0.000 0.611 189 R N 0.726 121.310 120.500 0.141 0.000 2.096 189 R HA -0.022 4.319 4.340 0.001 0.000 0.235 189 R C 2.600 178.962 176.300 0.103 0.000 1.127 189 R CA 1.808 58.004 56.100 0.161 0.000 0.968 189 R CB -0.175 30.196 30.300 0.119 0.000 0.861 189 R HN 0.614 nan 8.270 nan 0.000 0.440 190 R N 0.339 120.880 120.500 0.068 0.000 2.081 190 R HA -0.160 4.181 4.340 0.001 0.000 0.235 190 R C 2.285 178.622 176.300 0.061 0.000 1.131 190 R CA 1.959 58.090 56.100 0.051 0.000 0.960 190 R CB -0.167 30.142 30.300 0.015 0.000 0.856 190 R HN 0.376 nan 8.270 nan 0.000 0.436 191 E N -0.674 119.562 120.200 0.060 0.000 2.106 191 E HA -0.135 4.216 4.350 0.001 0.000 0.192 191 E C 1.840 178.410 176.600 -0.051 0.000 0.984 191 E CA 1.230 57.670 56.400 0.066 0.000 0.806 191 E CB -0.152 29.637 29.700 0.148 0.000 0.750 191 E HN 0.447 nan 8.360 nan 0.000 0.458 192 G N 1.650 110.270 108.800 -0.300 0.000 2.459 192 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 192 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 192 G C 1.608 176.425 174.900 -0.139 0.000 1.183 192 G CA 0.952 45.673 45.100 -0.632 0.000 0.776 192 G HN 0.233 nan 8.290 nan 0.000 0.552 193 L N -1.003 120.233 121.223 0.022 0.000 2.141 193 L HA -0.045 4.295 4.340 0.001 0.000 0.209 193 L C 2.580 179.561 176.870 0.186 0.000 1.094 193 L CA 1.088 56.001 54.840 0.122 0.000 0.763 193 L CB -0.497 41.653 42.059 0.152 0.000 0.908 193 L HN 0.312 nan 8.230 nan 0.000 0.437 194 Y N 0.901 121.221 120.300 0.034 0.000 2.145 194 Y HA -0.257 4.294 4.550 0.001 0.000 0.286 194 Y C 2.330 178.259 175.900 0.047 0.000 1.145 194 Y CA 1.593 59.718 58.100 0.042 0.000 1.148 194 Y CB -0.190 38.273 38.460 0.004 0.000 0.981 194 Y HN -0.014 nan 8.280 nan 0.000 0.507 195 L N -0.722 120.549 121.223 0.080 0.000 2.046 195 L HA -0.208 4.133 4.340 0.001 0.000 0.208 195 L C 2.390 179.261 176.870 0.003 0.000 1.077 195 L CA 0.992 55.843 54.840 0.017 0.000 0.747 195 L CB -0.735 41.377 42.059 0.089 0.000 0.896 195 L HN 0.309 nan 8.230 nan 0.000 0.432 196 L N -0.866 120.335 121.223 -0.036 0.000 2.187 196 L HA -0.233 4.108 4.340 0.001 0.000 0.213 196 L C 2.203 178.887 176.870 -0.309 0.000 1.100 196 L CA 1.887 56.623 54.840 -0.173 0.000 0.765 196 L CB -0.695 41.233 42.059 -0.219 0.000 0.904 196 L HN 0.320 nan 8.230 nan 0.000 0.437 197 H N -0.870 118.130 119.070 -0.117 0.000 2.549 197 H HA 0.248 4.804 4.556 0.001 0.000 0.279 197 H C 0.336 175.546 175.328 -0.197 0.000 1.018 197 H CA -0.262 55.699 56.048 -0.145 0.000 1.175 197 H CB 0.206 29.883 29.762 -0.142 0.000 1.485 197 H HN 0.306 nan 8.280 nan 0.000 0.543 198 R N 1.771 122.177 120.500 -0.156 0.000 2.543 198 R HA 0.078 4.418 4.340 0.001 0.000 0.277 198 R C 0.009 176.212 176.300 -0.161 0.000 1.074 198 R CA -0.163 55.808 56.100 -0.214 0.000 1.076 198 R CB 0.585 30.738 30.300 -0.244 0.000 0.993 198 R HN 0.143 nan 8.270 nan 0.000 0.459 199 N N 2.594 121.209 118.700 -0.141 0.000 2.457 199 N HA 0.177 4.917 4.740 0.001 0.000 0.250 199 N C -0.454 174.966 175.510 -0.150 0.000 0.982 199 N CA -0.220 52.758 53.050 -0.120 0.000 0.941 199 N CB 1.746 40.192 38.487 -0.069 0.000 1.120 199 N HN 0.302 nan 8.380 nan 0.000 0.505 200 V N -0.996 118.790 119.914 -0.214 0.000 3.113 200 V HA 0.514 4.634 4.120 0.001 0.000 0.316 200 V C -0.173 175.879 176.094 -0.070 0.000 1.125 200 V CA -1.021 61.170 62.300 -0.183 0.000 1.026 200 V CB 2.321 33.950 31.823 -0.324 0.000 1.080 200 V HN 0.311 nan 8.190 nan 0.000 0.444 201 D N 1.070 121.463 120.400 -0.012 0.000 2.522 201 D HA 0.252 4.893 4.640 0.001 0.000 0.218 201 D C 0.545 176.925 176.300 0.133 0.000 1.149 201 D CA -0.523 53.509 54.000 0.053 0.000 0.981 201 D CB 0.146 40.958 40.800 0.021 0.000 1.041 201 D HN 0.538 nan 8.370 nan 0.000 0.518 202 F N 3.015 122.964 119.950 -0.001 0.000 2.287 202 F HA -0.144 4.384 4.527 0.001 0.000 0.301 202 F C 1.989 177.837 175.800 0.080 0.000 1.069 202 F CA 0.947 58.986 58.000 0.065 0.000 1.372 202 F CB 0.197 39.303 39.000 0.177 0.000 1.056 202 F HN 0.316 nan 8.300 nan 0.000 0.523 203 R N 0.185 120.759 120.500 0.123 0.000 2.081 203 R HA -0.073 4.267 4.340 0.001 0.000 0.235 203 R C 1.439 177.766 176.300 0.044 0.000 1.131 203 R CA 1.156 57.290 56.100 0.056 0.000 0.960 203 R CB -0.493 29.855 30.300 0.080 0.000 0.856 203 R HN 0.289 nan 8.270 nan 0.000 0.436 204 R N 1.242 121.785 120.500 0.073 0.000 2.721 204 R HA 0.099 4.440 4.340 0.001 0.000 0.296 204 R C 1.379 177.781 176.300 0.170 0.000 1.174 204 R CA -0.118 56.098 56.100 0.193 0.000 1.129 204 R CB 0.169 30.502 30.300 0.055 0.000 1.316 204 R HN 0.237 nan 8.270 nan 0.000 0.571 205 R N -0.211 120.257 120.500 -0.054 0.000 2.328 205 R HA -0.054 4.287 4.340 0.001 0.000 0.207 205 R C 0.321 176.493 176.300 -0.213 0.000 1.056 205 R CA 1.152 57.156 56.100 -0.161 0.000 1.016 205 R CB 0.036 30.054 30.300 -0.470 0.000 0.872 205 R HN 0.142 nan 8.270 nan 0.000 0.471 206 D N 0.354 120.598 120.400 -0.260 0.000 2.249 206 D HA -0.057 4.583 4.640 0.001 0.000 0.205 206 D C -0.274 175.653 176.300 -0.622 0.000 0.962 206 D CA 0.691 54.309 54.000 -0.637 0.000 0.860 206 D CB 0.063 40.248 40.800 -1.024 0.000 0.955 206 D HN 0.277 nan 8.370 nan 0.000 0.505 207 Y N 0.977 121.198 120.300 -0.131 0.000 2.539 207 Y HA 0.135 4.685 4.550 0.001 0.000 0.352 207 Y C -1.429 174.392 175.900 -0.132 0.000 1.004 207 Y CA -1.896 56.178 58.100 -0.042 0.000 1.278 207 Y CB 0.720 39.208 38.460 0.046 0.000 1.136 207 Y HN -0.068 nan 8.280 nan 0.000 0.528 208 P HA -0.242 nan 4.420 nan 0.000 0.215 208 P C 1.385 178.638 177.300 -0.078 0.000 1.153 208 P CA 1.997 64.870 63.100 -0.379 0.000 0.853 208 P CB 0.310 31.291 31.700 -1.198 0.000 0.788 209 A N -0.372 122.501 122.820 0.088 0.000 1.908 209 A HA -0.184 4.137 4.320 0.001 0.000 0.218 209 A C 1.315 178.985 177.584 0.144 0.000 1.181 209 A CA 1.296 53.462 52.037 0.215 0.000 0.627 209 A CB -1.069 18.066 19.000 0.226 0.000 0.818 209 A HN 0.215 nan 8.150 nan 0.000 0.445 210 E N -0.877 119.393 120.200 0.116 0.000 2.421 210 E HA 0.129 4.480 4.350 0.001 0.000 0.253 210 E C -0.219 176.418 176.600 0.062 0.000 1.277 210 E CA -0.203 56.241 56.400 0.072 0.000 0.968 210 E CB 0.230 29.964 29.700 0.056 0.000 1.040 210 E HN 0.463 nan 8.360 nan 0.000 0.512 211 N N 0.848 119.567 118.700 0.032 0.000 2.735 211 N HA 0.110 4.851 4.740 0.001 0.000 0.312 211 N C -0.688 174.814 175.510 -0.012 0.000 1.843 211 N CA -0.055 53.006 53.050 0.018 0.000 0.945 211 N CB 0.134 38.624 38.487 0.004 0.000 1.299 211 N HN 0.281 nan 8.380 nan 0.000 0.489 212 N N 0.952 119.657 118.700 0.008 0.000 2.279 212 N HA 0.098 4.838 4.740 0.001 0.000 0.226 212 N C -1.091 174.446 175.510 0.046 0.000 1.126 212 N CA 0.101 53.150 53.050 -0.001 0.000 0.846 212 N CB 0.307 38.812 38.487 0.030 0.000 1.050 212 N HN 0.392 nan 8.380 nan 0.000 0.502 213 N N -0.751 117.983 118.700 0.056 0.000 2.361 213 N HA 0.224 4.964 4.740 0.001 0.000 0.302 213 N C 0.186 175.763 175.510 0.112 0.000 1.074 213 N CA -0.597 52.572 53.050 0.199 0.000 0.850 213 N CB 0.954 39.590 38.487 0.248 0.000 1.228 213 N HN -0.027 nan 8.380 nan 0.000 0.491 214 Y N 0.919 121.356 120.300 0.229 0.000 2.509 214 Y HA 0.102 4.653 4.550 0.001 0.000 0.293 214 Y C 0.557 176.532 175.900 0.125 0.000 1.133 214 Y CA 0.346 58.516 58.100 0.116 0.000 1.283 214 Y CB 0.016 38.531 38.460 0.091 0.000 1.001 214 Y HN 0.405 nan 8.280 nan 0.000 0.555 215 R N -0.125 120.563 120.500 0.313 0.000 3.416 215 R HA -0.233 4.107 4.340 0.001 0.000 0.263 215 R C 0.457 176.996 176.300 0.399 0.000 1.053 215 R CA 0.315 56.555 56.100 0.234 0.000 0.705 215 R CB -1.855 28.420 30.300 -0.041 0.000 1.124 215 R HN 0.419 nan 8.270 nan 0.000 0.444 216 L N -0.735 120.718 121.223 0.384 0.000 2.477 216 L HA -0.046 4.295 4.340 0.001 0.000 0.220 216 L C 2.247 179.288 176.870 0.286 0.000 1.106 216 L CA 0.949 56.004 54.840 0.359 0.000 0.851 216 L CB 0.016 42.249 42.059 0.290 0.000 0.994 216 L HN 0.410 nan 8.230 nan 0.000 0.462 217 S N 1.021 116.849 115.700 0.213 0.000 2.378 217 S HA -0.160 4.310 4.470 0.001 0.000 0.229 217 S C -0.332 174.242 174.600 -0.043 0.000 1.052 217 S CA 1.487 59.737 58.200 0.084 0.000 1.084 217 S CB -2.173 61.074 63.200 0.078 0.000 0.950 217 S HN 0.307 nan 8.310 nan 0.000 0.440 218 P HA -0.125 nan 4.420 nan 0.000 0.218 218 P C 1.151 178.235 177.300 -0.360 0.000 1.149 218 P CA 1.464 64.225 63.100 -0.566 0.000 0.817 218 P CB -0.340 30.569 31.700 -1.319 0.000 0.785 219 H N -0.455 118.649 119.070 0.056 0.000 2.428 219 H HA 0.079 4.636 4.556 0.001 0.000 0.296 219 H C 2.243 177.698 175.328 0.211 0.000 1.062 219 H CA 0.905 57.130 56.048 0.294 0.000 1.350 219 H CB -0.315 29.646 29.762 0.331 0.000 1.403 219 H HN 0.163 nan 8.280 nan 0.000 0.533 220 L N 0.639 121.996 121.223 0.224 0.000 2.044 220 L HA -0.142 4.198 4.340 0.001 0.000 0.205 220 L C 2.659 179.561 176.870 0.053 0.000 1.075 220 L CA 1.144 56.072 54.840 0.146 0.000 0.747 220 L CB -0.255 41.864 42.059 0.100 0.000 0.903 220 L HN 0.121 nan 8.230 nan 0.000 0.435 221 K N 0.817 121.176 120.400 -0.067 0.000 2.063 221 K HA -0.191 4.129 4.320 0.001 0.000 0.208 221 K C 1.538 177.932 176.600 -0.343 0.000 1.048 221 K CA 1.966 58.089 56.287 -0.273 0.000 0.928 221 K CB -0.483 31.768 32.500 -0.416 0.000 0.713 221 K HN 0.116 nan 8.250 nan 0.000 0.442 222 F N 0.214 120.153 119.950 -0.019 0.000 2.765 222 F HA 0.311 4.838 4.527 0.001 0.000 0.302 222 F C 1.218 177.125 175.800 0.179 0.000 1.111 222 F CA 0.423 58.469 58.000 0.077 0.000 1.359 222 F CB 0.391 39.465 39.000 0.124 0.000 1.097 222 F HN 0.339 nan 8.300 nan 0.000 0.577 223 G N 0.792 109.783 108.800 0.317 0.000 2.221 223 G HA2 -0.371 3.589 3.960 0.001 0.000 0.265 223 G HA3 -0.371 3.589 3.960 0.001 0.000 0.265 223 G C 1.147 176.254 174.900 0.346 0.000 1.041 223 G CA 0.715 46.020 45.100 0.342 0.000 0.807 223 G HN 0.432 nan 8.290 nan 0.000 0.502 224 T N -2.076 112.702 114.554 0.372 0.000 2.962 224 T HA 0.307 4.657 4.350 0.001 0.000 0.270 224 T C 1.280 176.148 174.700 0.279 0.000 1.088 224 T CA 1.342 63.645 62.100 0.338 0.000 1.127 224 T CB -0.038 69.105 68.868 0.458 0.000 0.883 224 T HN 1.594 nan 8.240 nan 0.000 0.493 225 I N -0.846 119.891 120.570 0.277 0.000 2.769 225 I HA 0.714 4.885 4.170 0.001 0.000 0.298 225 I C -0.405 175.838 176.117 0.210 0.000 1.128 225 I CA -1.411 60.017 61.300 0.212 0.000 1.031 225 I CB 2.435 40.542 38.000 0.179 0.000 1.235 225 I HN 0.050 nan 8.210 nan 0.000 0.423 226 S N 4.637 120.447 115.700 0.183 0.000 2.601 226 S HA 0.264 4.735 4.470 0.001 0.000 0.271 226 S C 0.845 175.544 174.600 0.165 0.000 1.305 226 S CA -0.532 57.777 58.200 0.182 0.000 1.022 226 S CB 1.583 64.879 63.200 0.159 0.000 0.940 226 S HN 0.840 nan 8.310 nan 0.000 0.525 227 M N 1.924 121.615 119.600 0.153 0.000 2.144 227 M HA -0.031 4.450 4.480 0.001 0.000 0.260 227 M C 2.145 178.514 176.300 0.114 0.000 1.067 227 M CA 1.722 57.086 55.300 0.108 0.000 1.095 227 M CB -0.715 31.932 32.600 0.079 0.000 1.365 227 M HN 0.836 nan 8.290 nan 0.000 0.406 228 R N -0.789 119.795 120.500 0.141 0.000 2.115 228 R HA -0.097 4.243 4.340 0.001 0.000 0.230 228 R C 2.094 178.586 176.300 0.319 0.000 1.111 228 R CA 1.523 57.751 56.100 0.214 0.000 0.976 228 R CB -0.326 30.099 30.300 0.209 0.000 0.870 228 R HN 0.543 nan 8.270 nan 0.000 0.445 229 E N 0.579 120.917 120.200 0.230 0.000 2.046 229 E HA -0.128 4.223 4.350 0.001 0.000 0.190 229 E C 2.119 178.819 176.600 0.167 0.000 0.982 229 E CA 1.008 57.531 56.400 0.205 0.000 0.800 229 E CB -0.098 29.691 29.700 0.150 0.000 0.756 229 E HN 0.322 nan 8.360 nan 0.000 0.449 230 A N 1.086 123.994 122.820 0.148 0.000 1.908 230 A HA -0.249 4.072 4.320 0.001 0.000 0.218 230 A C 2.067 179.735 177.584 0.140 0.000 1.181 230 A CA 1.644 53.755 52.037 0.122 0.000 0.627 230 A CB -0.889 18.215 19.000 0.173 0.000 0.818 230 A HN 0.413 nan 8.150 nan 0.000 0.445 231 Y N -1.050 119.267 120.300 0.027 0.000 2.070 231 Y HA -0.294 4.257 4.550 0.001 0.000 0.280 231 Y C 2.220 178.050 175.900 -0.116 0.000 1.148 231 Y CA 2.140 60.197 58.100 -0.072 0.000 1.125 231 Y CB -0.680 37.655 38.460 -0.208 0.000 0.975 231 Y HN 0.378 nan 8.280 nan 0.000 0.492 232 Y N -0.265 120.026 120.300 -0.015 0.000 2.293 232 Y HA -0.203 4.348 4.550 0.001 0.000 0.291 232 Y C 2.561 178.375 175.900 -0.143 0.000 1.137 232 Y CA 1.796 59.825 58.100 -0.118 0.000 1.202 232 Y CB -0.481 38.011 38.460 0.054 0.000 0.990 232 Y HN 0.108 nan 8.280 nan 0.000 0.537 233 T N -0.652 113.911 114.554 0.015 0.000 2.867 233 T HA -0.126 4.225 4.350 0.001 0.000 0.268 233 T C 1.342 175.931 174.700 -0.185 0.000 1.057 233 T CA 1.100 63.155 62.100 -0.075 0.000 1.136 233 T CB -0.083 68.694 68.868 -0.151 0.000 0.874 233 T HN 0.284 nan 8.240 nan 0.000 0.466 234 Q N 0.065 119.718 119.800 -0.245 0.000 2.179 234 Q HA 0.273 4.614 4.340 0.001 0.000 0.213 234 Q C 1.611 177.469 176.000 -0.238 0.000 0.833 234 Q CA -0.117 55.508 55.803 -0.298 0.000 0.990 234 Q CB 0.361 28.802 28.738 -0.495 0.000 1.132 234 Q HN 0.453 nan 8.270 nan 0.000 0.493 235 K N 0.996 121.194 120.400 -0.338 0.000 2.144 235 K HA -0.192 4.129 4.320 0.001 0.000 0.209 235 K C 1.702 178.188 176.600 -0.190 0.000 1.047 235 K CA 1.685 57.706 56.287 -0.442 0.000 0.927 235 K CB -0.166 32.080 32.500 -0.424 0.000 0.716 235 K HN 0.323 nan 8.250 nan 0.000 0.454 236 G N 0.453 109.186 108.800 -0.111 0.000 2.650 236 G HA2 -0.118 3.842 3.960 0.001 0.000 0.214 236 G HA3 -0.118 3.842 3.960 0.001 0.000 0.214 236 G C -0.080 174.818 174.900 -0.004 0.000 1.136 236 G CA 0.067 45.142 45.100 -0.042 0.000 0.789 236 G HN 0.234 nan 8.290 nan 0.000 0.536 237 K N 1.749 122.143 120.400 -0.010 0.000 2.244 237 K HA 0.138 4.458 4.320 0.001 0.000 0.263 237 K C 1.080 177.763 176.600 0.138 0.000 1.103 237 K CA -0.344 55.976 56.287 0.055 0.000 0.966 237 K CB 1.142 33.641 32.500 -0.003 0.000 1.429 237 K HN 0.182 nan 8.250 nan 0.000 0.434 238 E N 2.931 123.219 120.200 0.147 0.000 2.086 238 E HA -0.294 4.057 4.350 0.001 0.000 0.200 238 E C 0.774 177.511 176.600 0.229 0.000 1.012 238 E CA 1.669 58.182 56.400 0.189 0.000 0.812 238 E CB -0.006 29.794 29.700 0.166 0.000 0.743 238 E HN 0.450 nan 8.360 nan 0.000 0.453 239 E N 0.170 120.532 120.200 0.271 0.000 2.058 239 E HA -0.138 4.213 4.350 0.001 0.000 0.194 239 E C 2.002 178.878 176.600 0.460 0.000 0.997 239 E CA 1.095 57.712 56.400 0.361 0.000 0.801 239 E CB -0.621 29.372 29.700 0.489 0.000 0.746 239 E HN 0.415 nan 8.360 nan 0.000 0.450 240 F N 1.283 121.350 119.950 0.195 0.000 2.146 240 F HA -0.167 4.360 4.527 0.001 0.000 0.298 240 F C 2.237 178.047 175.800 0.017 0.000 1.096 240 F CA 0.886 58.839 58.000 -0.078 0.000 1.275 240 F CB -0.130 38.534 39.000 -0.560 0.000 1.008 240 F HN -0.213 nan 8.300 nan 0.000 0.480 241 V N 0.952 120.956 119.914 0.149 0.000 2.407 241 V HA -0.276 3.845 4.120 0.001 0.000 0.248 241 V C 2.592 178.822 176.094 0.226 0.000 1.055 241 V CA 2.192 64.588 62.300 0.161 0.000 1.049 241 V CB -0.796 31.210 31.823 0.306 0.000 0.662 241 V HN 0.306 nan 8.190 nan 0.000 0.455 242 R N -0.089 120.506 120.500 0.158 0.000 2.075 242 R HA -0.170 4.171 4.340 0.001 0.000 0.232 242 R C 2.301 178.669 176.300 0.115 0.000 1.126 242 R CA 1.727 57.788 56.100 -0.065 0.000 0.963 242 R CB -0.131 30.029 30.300 -0.232 0.000 0.858 242 R HN 0.588 nan 8.270 nan 0.000 0.435 243 E N 0.071 120.336 120.200 0.108 0.000 2.204 243 E HA -0.171 4.179 4.350 0.001 0.000 0.194 243 E C 1.765 178.380 176.600 0.026 0.000 0.989 243 E CA 0.498 56.980 56.400 0.137 0.000 0.824 243 E CB 0.076 29.820 29.700 0.073 0.000 0.756 243 E HN 0.141 nan 8.360 nan 0.000 0.477 244 L N -0.201 120.923 121.223 -0.164 0.000 2.141 244 L HA -0.162 4.178 4.340 0.001 0.000 0.209 244 L C 1.583 178.420 176.870 -0.054 0.000 1.094 244 L CA 1.593 56.289 54.840 -0.239 0.000 0.763 244 L CB -0.329 41.498 42.059 -0.386 0.000 0.908 244 L HN 0.168 nan 8.230 nan 0.000 0.437 245 Y N -2.781 117.580 120.300 0.101 0.000 2.497 245 Y HA -0.222 4.329 4.550 0.001 0.000 0.292 245 Y C 1.880 177.955 175.900 0.293 0.000 1.137 245 Y CA 1.074 59.317 58.100 0.238 0.000 1.285 245 Y CB -0.539 38.105 38.460 0.306 0.000 0.991 245 Y HN 0.203 nan 8.280 nan 0.000 0.556 246 W N -0.087 121.285 121.300 0.122 0.000 2.519 246 W HA -0.085 4.576 4.660 0.001 0.000 0.266 246 W C 2.190 178.728 176.519 0.031 0.000 1.253 246 W CA 0.843 58.100 57.345 -0.147 0.000 1.274 246 W CB -0.070 29.128 29.460 -0.437 0.000 1.114 246 W HN -0.114 nan 8.180 nan 0.000 0.596 247 R N -0.146 120.511 120.500 0.263 0.000 2.075 247 R HA -0.123 4.217 4.340 0.001 0.000 0.232 247 R C 1.464 177.849 176.300 0.141 0.000 1.126 247 R CA 1.756 57.969 56.100 0.187 0.000 0.963 247 R CB -0.627 29.725 30.300 0.087 0.000 0.858 247 R HN 0.115 nan 8.270 nan 0.000 0.435 248 D N 0.256 120.749 120.400 0.155 0.000 2.097 248 D HA -0.158 4.482 4.640 0.001 0.000 0.195 248 D C 1.484 177.751 176.300 -0.055 0.000 0.989 248 D CA 0.972 55.035 54.000 0.106 0.000 0.827 248 D CB -0.187 40.797 40.800 0.307 0.000 0.966 248 D HN 0.022 nan 8.370 nan 0.000 0.456 249 F N 0.348 120.180 119.950 -0.198 0.000 2.043 249 F HA -0.233 4.295 4.527 0.001 0.000 0.297 249 F C 1.869 177.412 175.800 -0.427 0.000 1.121 249 F CA 1.399 59.052 58.000 -0.579 0.000 1.199 249 F CB -0.457 38.224 39.000 -0.532 0.000 0.968 249 F HN -0.094 nan 8.300 nan 0.000 0.478 250 F N 0.419 120.283 119.950 -0.144 0.000 2.186 250 F HA -0.143 4.384 4.527 0.001 0.000 0.299 250 F C 2.593 178.204 175.800 -0.314 0.000 1.090 250 F CA 1.694 59.545 58.000 -0.248 0.000 1.307 250 F CB -1.551 37.442 39.000 -0.013 0.000 1.019 250 F HN -0.072 nan 8.300 nan 0.000 0.489 251 T N 0.560 115.075 114.554 -0.065 0.000 2.674 251 T HA -0.155 4.196 4.350 0.001 0.000 0.265 251 T C 2.295 176.831 174.700 -0.274 0.000 1.039 251 T CA 1.263 63.295 62.100 -0.113 0.000 1.150 251 T CB -0.558 68.242 68.868 -0.113 0.000 0.864 251 T HN 0.153 nan 8.240 nan 0.000 0.427 252 L N 0.349 121.266 121.223 -0.509 0.000 2.093 252 L HA -0.037 4.304 4.340 0.001 0.000 0.208 252 L C 2.447 178.828 176.870 -0.815 0.000 1.085 252 L CA 0.608 55.031 54.840 -0.695 0.000 0.755 252 L CB -0.523 40.962 42.059 -0.955 0.000 0.904 252 L HN 0.218 nan 8.230 nan 0.000 0.435 253 L N 0.365 121.008 121.223 -0.967 0.000 2.012 253 L HA -0.194 4.146 4.340 0.001 0.000 0.210 253 L C 2.636 179.341 176.870 -0.275 0.000 1.073 253 L CA 2.165 56.603 54.840 -0.669 0.000 0.748 253 L CB -0.644 40.993 42.059 -0.703 0.000 0.891 253 L HN 0.153 nan 8.230 nan 0.000 0.431 254 A N -1.816 120.860 122.820 -0.241 0.000 1.969 254 A HA -0.258 4.063 4.320 0.001 0.000 0.218 254 A C 2.267 179.853 177.584 0.004 0.000 1.169 254 A CA 1.558 53.494 52.037 -0.168 0.000 0.635 254 A CB -1.114 17.788 19.000 -0.163 0.000 0.810 254 A HN 0.644 nan 8.150 nan 0.000 0.445 255 Y N -0.855 119.350 120.300 -0.159 0.000 2.181 255 Y HA -0.202 4.349 4.550 0.001 0.000 0.288 255 Y C 1.647 177.424 175.900 -0.205 0.000 1.146 255 Y CA 1.622 59.620 58.100 -0.171 0.000 1.164 255 Y CB -0.361 37.891 38.460 -0.347 0.000 0.982 255 Y HN 0.379 nan 8.280 nan 0.000 0.515 256 Y N -0.148 120.093 120.300 -0.098 0.000 2.466 256 Y HA 0.182 4.733 4.550 0.001 0.000 0.272 256 Y C 0.139 176.058 175.900 0.032 0.000 1.169 256 Y CA 0.165 58.218 58.100 -0.079 0.000 1.285 256 Y CB 0.048 38.570 38.460 0.103 0.000 1.078 256 Y HN 0.100 nan 8.280 nan 0.000 0.523 257 N N -0.323 118.461 118.700 0.139 0.000 2.711 257 N HA 0.159 4.900 4.740 0.001 0.000 0.263 257 N C -2.502 172.997 175.510 -0.018 0.000 1.667 257 N CA -0.876 52.270 53.050 0.161 0.000 0.785 257 N CB 1.153 39.778 38.487 0.230 0.000 1.231 257 N HN 0.025 nan 8.380 nan 0.000 0.503 258 P HA -0.197 nan 4.420 nan 0.000 0.218 258 P C 1.471 178.806 177.300 0.059 0.000 1.146 258 P CA 1.271 64.433 63.100 0.103 0.000 0.813 258 P CB -0.082 31.694 31.700 0.126 0.000 0.778 259 H N -0.651 118.437 119.070 0.030 0.000 2.518 259 H HA -0.054 4.502 4.556 0.001 0.000 0.289 259 H C 1.479 176.813 175.328 0.009 0.000 1.051 259 H CA 1.494 57.514 56.048 -0.046 0.000 1.280 259 H CB -1.215 28.528 29.762 -0.032 0.000 1.380 259 H HN 0.126 nan 8.280 nan 0.000 0.566 260 V N -1.477 118.135 119.914 -0.503 0.000 2.594 260 V HA -0.126 3.995 4.120 0.001 0.000 0.253 260 V C 0.895 176.917 176.094 -0.120 0.000 1.069 260 V CA 0.833 62.938 62.300 -0.325 0.000 1.082 260 V CB -1.461 30.075 31.823 -0.478 0.000 0.680 260 V HN 0.043 nan 8.190 nan 0.000 0.469 261 F N 2.652 122.634 119.950 0.055 0.000 2.619 261 F HA 0.663 5.191 4.527 0.001 0.000 0.350 261 F C 1.409 177.257 175.800 0.081 0.000 1.259 261 F CA 0.177 58.221 58.000 0.074 0.000 1.204 261 F CB 0.092 39.096 39.000 0.007 0.000 1.556 261 F HN 0.337 nan 8.300 nan 0.000 0.650 262 G N 0.595 109.589 108.800 0.324 0.000 2.705 262 G HA2 -0.142 3.819 3.960 0.001 0.000 0.193 262 G HA3 -0.142 3.819 3.960 0.001 0.000 0.193 262 G C 0.002 175.228 174.900 0.544 0.000 1.015 262 G CA -0.562 44.728 45.100 0.316 0.000 0.743 262 G HN 0.546 nan 8.290 nan 0.000 0.476 263 H N -0.992 118.258 119.070 0.300 0.000 2.855 263 H HA 0.567 5.124 4.556 0.001 0.000 0.363 263 H C -0.344 175.323 175.328 0.565 0.000 1.185 263 H CA -0.857 55.414 56.048 0.371 0.000 1.174 263 H CB 1.776 31.755 29.762 0.361 0.000 1.857 263 H HN 0.250 nan 8.280 nan 0.000 0.565 264 C N 1.627 121.363 119.300 0.727 0.000 2.601 264 C HA -0.063 4.398 4.460 0.001 0.000 0.409 264 C C 1.837 177.152 174.990 0.542 0.000 1.293 264 C CA -0.176 59.238 59.018 0.660 0.000 2.101 264 C CB -0.707 27.409 27.740 0.626 0.000 2.639 264 C HN 0.810 nan 8.230 nan 0.000 0.592 265 Y N 2.318 122.775 120.300 0.262 0.000 2.081 265 Y HA -0.125 4.426 4.550 0.001 0.000 0.280 265 Y C 1.624 177.779 175.900 0.425 0.000 1.163 265 Y CA 1.759 60.017 58.100 0.263 0.000 1.135 265 Y CB -0.072 38.457 38.460 0.115 0.000 0.970 265 Y HN 0.574 nan 8.280 nan 0.000 0.498 266 R N 1.686 122.360 120.500 0.290 0.000 2.593 266 R HA 0.140 4.480 4.340 0.001 0.000 0.282 266 R C 1.270 177.737 176.300 0.277 0.000 1.300 266 R CA -0.179 56.061 56.100 0.234 0.000 1.221 266 R CB 0.236 30.800 30.300 0.440 0.000 1.157 266 R HN 0.447 nan 8.270 nan 0.000 0.555 267 R N 1.616 122.219 120.500 0.172 0.000 2.196 267 R HA -0.288 4.052 4.340 0.001 0.000 0.259 267 R C 1.871 178.218 176.300 0.079 0.000 1.154 267 R CA 2.162 58.349 56.100 0.144 0.000 0.976 267 R CB -0.194 30.126 30.300 0.033 0.000 0.888 267 R HN 0.613 nan 8.270 nan 0.000 0.453 268 E N 0.773 120.952 120.200 -0.034 0.000 2.147 268 E HA -0.254 4.096 4.350 0.001 0.000 0.199 268 E C 1.387 177.867 176.600 -0.201 0.000 1.005 268 E CA 1.639 57.929 56.400 -0.183 0.000 0.810 268 E CB -0.742 28.747 29.700 -0.351 0.000 0.736 268 E HN 0.541 nan 8.360 nan 0.000 0.460 269 Y N 1.506 121.851 120.300 0.075 0.000 2.619 269 Y HA -0.005 4.545 4.550 0.001 0.000 0.308 269 Y C 1.300 177.248 175.900 0.080 0.000 1.192 269 Y CA 0.634 58.759 58.100 0.041 0.000 1.319 269 Y CB -0.155 38.375 38.460 0.117 0.000 1.030 269 Y HN -0.026 nan 8.280 nan 0.000 0.517 270 D N -0.442 120.070 120.400 0.187 0.000 2.378 270 D HA -0.073 4.568 4.640 0.001 0.000 0.227 270 D C 0.752 177.078 176.300 0.043 0.000 1.012 270 D CA 0.685 54.773 54.000 0.146 0.000 0.905 270 D CB -0.275 40.562 40.800 0.061 0.000 0.895 270 D HN 0.507 nan 8.370 nan 0.000 0.532 271 N N -0.730 117.962 118.700 -0.014 0.000 2.236 271 N HA 0.151 4.891 4.740 0.001 0.000 0.196 271 N C 0.205 175.616 175.510 -0.164 0.000 1.114 271 N CA -0.253 52.749 53.050 -0.080 0.000 0.859 271 N CB 1.092 39.525 38.487 -0.090 0.000 0.982 271 N HN 0.064 nan 8.380 nan 0.000 0.493 272 I N 1.362 121.775 120.570 -0.262 0.000 2.710 272 I HA -0.079 4.091 4.170 0.001 0.000 0.286 272 I C 0.158 175.891 176.117 -0.640 0.000 1.181 272 I CA 0.532 61.485 61.300 -0.578 0.000 1.430 272 I CB 0.719 38.045 38.000 -1.124 0.000 1.367 272 I HN 0.031 nan 8.210 nan 0.000 0.577 273 S N 6.226 121.654 115.700 -0.453 0.000 3.170 273 S HA 0.182 4.653 4.470 0.001 0.000 0.257 273 S C -0.652 173.668 174.600 -0.467 0.000 1.284 273 S CA -0.656 57.364 58.200 -0.300 0.000 0.973 273 S CB -0.299 62.850 63.200 -0.085 0.000 1.330 273 S HN 0.328 nan 8.310 nan 0.000 0.493 274 W N 2.186 123.161 121.300 -0.541 0.000 2.347 274 W HA 0.084 4.745 4.660 0.001 0.000 0.333 274 W C 1.563 177.623 176.519 -0.764 0.000 1.383 274 W CA -0.350 56.357 57.345 -1.064 0.000 1.283 274 W CB 0.307 29.260 29.460 -0.844 0.000 1.253 274 W HN 0.605 nan 8.180 nan 0.000 0.563 275 E N 2.841 122.670 120.200 -0.617 0.000 2.204 275 E HA -0.321 4.029 4.350 0.001 0.000 0.195 275 E C 0.457 176.960 176.600 -0.161 0.000 0.990 275 E CA 0.859 57.219 56.400 -0.067 0.000 0.821 275 E CB -0.145 29.756 29.700 0.335 0.000 0.750 275 E HN 0.501 nan 8.360 nan 0.000 0.477 276 N N 2.132 120.611 118.700 -0.368 0.000 2.701 276 N HA -0.257 4.484 4.740 0.001 0.000 0.257 276 N C -0.646 174.692 175.510 -0.285 0.000 0.969 276 N CA 1.029 53.716 53.050 -0.605 0.000 0.786 276 N CB -1.958 36.036 38.487 -0.821 0.000 0.917 276 N HN 0.289 nan 8.380 nan 0.000 0.541 277 N N 0.773 119.396 118.700 -0.130 0.000 2.406 277 N HA 0.012 4.753 4.740 0.001 0.000 0.269 277 N C 1.003 176.522 175.510 0.015 0.000 1.210 277 N CA 0.148 53.130 53.050 -0.113 0.000 0.966 277 N CB 0.291 38.566 38.487 -0.354 0.000 1.293 277 N HN 0.233 nan 8.380 nan 0.000 0.491 278 E N 1.350 121.628 120.200 0.130 0.000 2.301 278 E HA -0.277 4.074 4.350 0.001 0.000 0.202 278 E C 1.208 177.957 176.600 0.249 0.000 1.017 278 E CA 1.230 57.813 56.400 0.304 0.000 0.831 278 E CB 0.099 29.943 29.700 0.240 0.000 0.742 278 E HN 0.662 nan 8.360 nan 0.000 0.491 279 S N -1.100 114.653 115.700 0.088 0.000 2.345 279 S HA -0.135 4.335 4.470 0.001 0.000 0.219 279 S C 1.605 176.334 174.600 0.214 0.000 1.031 279 S CA 0.817 59.062 58.200 0.074 0.000 0.984 279 S CB -0.185 62.972 63.200 -0.070 0.000 0.874 279 S HN 0.318 nan 8.310 nan 0.000 0.451 280 Y N 0.890 121.307 120.300 0.196 0.000 2.145 280 Y HA -0.028 4.522 4.550 0.001 0.000 0.286 280 Y C 2.185 178.268 175.900 0.305 0.000 1.145 280 Y CA 0.563 58.797 58.100 0.224 0.000 1.148 280 Y CB -1.440 37.128 38.460 0.181 0.000 0.981 280 Y HN 0.405 nan 8.280 nan 0.000 0.507 281 F N 1.368 121.510 119.950 0.319 0.000 2.154 281 F HA -0.229 4.298 4.527 0.001 0.000 0.301 281 F C 2.243 178.224 175.800 0.302 0.000 1.087 281 F CA 1.951 60.127 58.000 0.293 0.000 1.274 281 F CB -0.341 38.847 39.000 0.314 0.000 1.009 281 F HN 0.021 nan 8.300 nan 0.000 0.485 282 E N 0.443 120.738 120.200 0.158 0.000 2.072 282 E HA -0.095 4.256 4.350 0.001 0.000 0.191 282 E C 2.243 178.852 176.600 0.015 0.000 0.985 282 E CA 1.344 57.734 56.400 -0.017 0.000 0.801 282 E CB -0.660 29.084 29.700 0.074 0.000 0.750 282 E HN 0.377 nan 8.360 nan 0.000 0.452 283 A N -0.347 122.566 122.820 0.155 0.000 1.933 283 A HA -0.156 4.164 4.320 0.001 0.000 0.218 283 A C 2.140 179.828 177.584 0.172 0.000 1.175 283 A CA 1.451 53.590 52.037 0.171 0.000 0.628 283 A CB -1.191 17.965 19.000 0.261 0.000 0.814 283 A HN 0.566 nan 8.150 nan 0.000 0.444 284 W N 0.928 122.248 121.300 0.033 0.000 2.379 284 W HA -0.124 4.537 4.660 0.001 0.000 0.307 284 W C 1.983 178.436 176.519 -0.110 0.000 1.200 284 W CA 2.019 59.382 57.345 0.029 0.000 1.297 284 W CB -0.044 29.494 29.460 0.129 0.000 1.140 284 W HN 0.224 nan 8.180 nan 0.000 0.507 285 K N -0.072 120.151 120.400 -0.295 0.000 2.148 285 K HA -0.156 4.164 4.320 0.001 0.000 0.204 285 K C 1.633 178.048 176.600 -0.308 0.000 1.050 285 K CA 1.718 57.621 56.287 -0.640 0.000 0.942 285 K CB -0.230 31.738 32.500 -0.887 0.000 0.724 285 K HN 0.267 nan 8.250 nan 0.000 0.446 286 E N -0.510 119.589 120.200 -0.169 0.000 2.442 286 E HA 0.030 4.380 4.350 0.001 0.000 0.195 286 E C 0.546 177.116 176.600 -0.051 0.000 1.030 286 E CA 0.239 56.596 56.400 -0.072 0.000 0.869 286 E CB 0.534 30.220 29.700 -0.023 0.000 0.857 286 E HN 0.416 nan 8.360 nan 0.000 0.505 287 G N 2.202 110.950 108.800 -0.087 0.000 2.225 287 G HA2 -0.312 3.649 3.960 0.001 0.000 0.264 287 G HA3 -0.312 3.649 3.960 0.001 0.000 0.264 287 G C 0.333 175.252 174.900 0.032 0.000 1.060 287 G CA 0.028 45.099 45.100 -0.049 0.000 0.833 287 G HN 0.179 nan 8.290 nan 0.000 0.498 288 R N -0.076 120.446 120.500 0.036 0.000 2.696 288 R HA 0.216 4.557 4.340 0.001 0.000 0.355 288 R C 0.755 177.084 176.300 0.049 0.000 1.138 288 R CA 0.117 56.239 56.100 0.036 0.000 1.059 288 R CB 0.594 30.919 30.300 0.041 0.000 1.380 288 R HN 0.310 nan 8.270 nan 0.000 0.578 289 T N -1.145 113.457 114.554 0.079 0.000 2.816 289 T HA 0.270 4.621 4.350 0.001 0.000 0.282 289 T C 1.408 176.178 174.700 0.116 0.000 0.993 289 T CA -0.065 62.133 62.100 0.162 0.000 0.994 289 T CB 1.370 70.305 68.868 0.111 0.000 1.025 289 T HN 0.385 nan 8.240 nan 0.000 0.529 290 G N 0.679 109.642 108.800 0.272 0.000 2.920 290 G HA2 0.088 4.048 3.960 0.001 0.000 0.208 290 G HA3 0.088 4.048 3.960 0.001 0.000 0.208 290 G C -0.353 174.667 174.900 0.199 0.000 1.159 290 G CA 0.191 45.352 45.100 0.101 0.000 0.784 290 G HN 0.631 nan 8.290 nan 0.000 0.535 291 Y N 0.128 120.460 120.300 0.054 0.000 2.385 291 Y HA 0.343 4.894 4.550 0.001 0.000 0.341 291 Y C -1.407 174.492 175.900 -0.001 0.000 0.965 291 Y CA -3.066 54.960 58.100 -0.122 0.000 1.180 291 Y CB 1.647 39.800 38.460 -0.512 0.000 1.139 291 Y HN -0.055 nan 8.280 nan 0.000 0.502 292 P HA -0.281 nan 4.420 nan 0.000 0.217 292 P C 1.823 179.175 177.300 0.087 0.000 1.162 292 P CA 1.524 64.713 63.100 0.147 0.000 0.901 292 P CB 0.321 32.073 31.700 0.087 0.000 0.793 293 I N -1.287 119.322 120.570 0.066 0.000 2.286 293 I HA -0.191 3.979 4.170 0.001 0.000 0.248 293 I C 1.822 177.968 176.117 0.049 0.000 1.115 293 I CA 1.521 62.879 61.300 0.098 0.000 1.392 293 I CB -0.735 37.305 38.000 0.066 0.000 1.065 293 I HN -0.170 nan 8.210 nan 0.000 0.418 294 I N 0.301 120.835 120.570 -0.060 0.000 2.286 294 I HA -0.215 3.956 4.170 0.001 0.000 0.245 294 I C 2.086 178.154 176.117 -0.082 0.000 1.104 294 I CA 1.245 62.466 61.300 -0.132 0.000 1.397 294 I CB -1.626 36.117 38.000 -0.428 0.000 1.072 294 I HN 0.230 nan 8.210 nan 0.000 0.417 295 D N 1.329 121.717 120.400 -0.020 0.000 2.117 295 D HA -0.115 4.525 4.640 0.001 0.000 0.197 295 D C 2.289 178.583 176.300 -0.011 0.000 0.987 295 D CA 1.582 55.593 54.000 0.019 0.000 0.829 295 D CB -0.034 40.867 40.800 0.169 0.000 0.961 295 D HN 0.285 nan 8.370 nan 0.000 0.460 296 A N 0.984 123.799 122.820 -0.009 0.000 1.877 296 A HA -0.053 4.268 4.320 0.001 0.000 0.216 296 A C 2.391 179.873 177.584 -0.170 0.000 1.186 296 A CA 2.252 54.218 52.037 -0.119 0.000 0.620 296 A CB -1.184 17.688 19.000 -0.213 0.000 0.822 296 A HN 0.301 nan 8.150 nan 0.000 0.443 297 G N -0.603 108.212 108.800 0.026 0.000 2.480 297 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 297 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 297 G C 1.524 176.333 174.900 -0.152 0.000 1.200 297 G CA 1.512 46.620 45.100 0.013 0.000 0.782 297 G HN 0.329 nan 8.290 nan 0.000 0.554 298 M N 0.440 119.941 119.600 -0.165 0.000 2.080 298 M HA -0.020 4.460 4.480 0.001 0.000 0.260 298 M C 2.587 178.782 176.300 -0.175 0.000 1.068 298 M CA 1.183 56.353 55.300 -0.218 0.000 1.109 298 M CB -1.203 31.198 32.600 -0.333 0.000 1.342 298 M HN 0.232 nan 8.290 nan 0.000 0.405 299 R N -0.486 119.927 120.500 -0.145 0.000 2.081 299 R HA -0.133 4.207 4.340 0.001 0.000 0.235 299 R C 2.319 178.488 176.300 -0.219 0.000 1.131 299 R CA 1.609 57.658 56.100 -0.086 0.000 0.960 299 R CB -0.467 29.849 30.300 0.027 0.000 0.856 299 R HN 0.393 nan 8.270 nan 0.000 0.436 300 M N 0.818 120.076 119.600 -0.570 0.000 2.059 300 M HA -0.189 4.292 4.480 0.001 0.000 0.259 300 M C 2.237 178.190 176.300 -0.579 0.000 1.072 300 M CA 1.588 56.173 55.300 -1.191 0.000 1.117 300 M CB -0.200 31.466 32.600 -1.557 0.000 1.320 300 M HN 0.181 nan 8.290 nan 0.000 0.408 301 L N 1.604 122.596 121.223 -0.384 0.000 2.021 301 L HA -0.296 4.044 4.340 0.001 0.000 0.215 301 L C 1.877 178.674 176.870 -0.121 0.000 1.074 301 L CA 2.081 56.762 54.840 -0.264 0.000 0.760 301 L CB -1.217 40.672 42.059 -0.284 0.000 0.889 301 L HN 0.405 nan 8.230 nan 0.000 0.433 302 N N -0.327 118.334 118.700 -0.064 0.000 2.120 302 N HA -0.152 4.589 4.740 0.001 0.000 0.188 302 N C 1.914 177.548 175.510 0.206 0.000 1.024 302 N CA 1.762 54.857 53.050 0.076 0.000 0.852 302 N CB -0.360 38.167 38.487 0.066 0.000 1.003 302 N HN 0.697 nan 8.380 nan 0.000 0.424 303 S N -1.938 113.833 115.700 0.118 0.000 2.503 303 S HA 0.092 4.562 4.470 0.001 0.000 0.217 303 S C 1.723 176.373 174.600 0.084 0.000 0.999 303 S CA 0.656 58.985 58.200 0.216 0.000 0.914 303 S CB 0.429 63.773 63.200 0.240 0.000 0.782 303 S HN 0.191 nan 8.310 nan 0.000 0.520 304 T N -0.122 114.344 114.554 -0.147 0.000 2.978 304 T HA 0.435 4.785 4.350 0.001 0.000 0.248 304 T C 1.282 175.603 174.700 -0.631 0.000 1.018 304 T CA 1.024 62.934 62.100 -0.317 0.000 1.026 304 T CB -0.435 68.367 68.868 -0.111 0.000 1.032 304 T HN 1.002 nan 8.240 nan 0.000 0.485 305 G N 0.650 109.195 108.800 -0.425 0.000 2.143 305 G HA2 -0.234 3.727 3.960 0.001 0.000 0.248 305 G HA3 -0.234 3.727 3.960 0.001 0.000 0.248 305 G C -0.112 174.741 174.900 -0.078 0.000 0.991 305 G CA 0.600 45.555 45.100 -0.243 0.000 0.689 305 G HN 0.734 nan 8.290 nan 0.000 0.522 306 Y N -0.123 120.072 120.300 -0.175 0.000 2.571 306 Y HA 0.683 5.233 4.550 0.001 0.000 0.341 306 Y C -0.689 175.127 175.900 -0.141 0.000 1.076 306 Y CA -0.976 57.072 58.100 -0.087 0.000 1.029 306 Y CB 1.499 40.062 38.460 0.172 0.000 1.308 306 Y HN 0.728 nan 8.280 nan 0.000 0.461 307 I N 2.466 122.312 120.570 -1.207 0.000 2.785 307 I HA 0.399 4.570 4.170 0.001 0.000 0.293 307 I C -1.487 174.026 176.117 -1.008 0.000 1.446 307 I CA -1.251 59.560 61.300 -0.815 0.000 1.028 307 I CB 1.886 39.618 38.000 -0.447 0.000 1.349 307 I HN 0.714 nan 8.210 nan 0.000 0.438 308 N N 3.293 121.642 118.700 -0.585 0.000 2.371 308 N HA 0.140 4.881 4.740 0.001 0.000 0.243 308 N C 1.106 176.395 175.510 -0.368 0.000 1.287 308 N CA 0.418 53.245 53.050 -0.373 0.000 0.911 308 N CB 0.963 39.332 38.487 -0.197 0.000 1.142 308 N HN 0.913 nan 8.380 nan 0.000 0.451 309 G N 0.345 108.963 108.800 -0.302 0.000 2.475 309 G HA2 -0.338 3.623 3.960 0.001 0.000 0.220 309 G HA3 -0.338 3.623 3.960 0.001 0.000 0.220 309 G C 1.580 176.249 174.900 -0.386 0.000 1.125 309 G CA 0.962 45.865 45.100 -0.327 0.000 0.755 309 G HN 0.651 nan 8.290 nan 0.000 0.565 310 R N 0.108 120.338 120.500 -0.450 0.000 2.062 310 R HA 0.023 4.364 4.340 0.001 0.000 0.231 310 R C 2.704 178.728 176.300 -0.461 0.000 1.136 310 R CA 1.449 57.214 56.100 -0.558 0.000 0.948 310 R CB -0.985 28.863 30.300 -0.752 0.000 0.845 310 R HN 0.198 nan 8.270 nan 0.000 0.430 311 V N 0.587 120.262 119.914 -0.398 0.000 2.427 311 V HA -0.187 3.934 4.120 0.001 0.000 0.248 311 V C 2.418 178.408 176.094 -0.173 0.000 1.051 311 V CA 2.019 64.155 62.300 -0.274 0.000 1.048 311 V CB -0.506 31.157 31.823 -0.267 0.000 0.666 311 V HN 0.293 nan 8.190 nan 0.000 0.456 312 R N 0.320 120.701 120.500 -0.199 0.000 2.096 312 R HA -0.234 4.107 4.340 0.001 0.000 0.240 312 R C 2.404 178.658 176.300 -0.078 0.000 1.139 312 R CA 2.516 58.572 56.100 -0.074 0.000 0.952 312 R CB -0.383 29.829 30.300 -0.147 0.000 0.854 312 R HN 0.723 nan 8.270 nan 0.000 0.436 313 M N -1.079 118.402 119.600 -0.197 0.000 2.419 313 M HA 0.002 4.482 4.480 0.001 0.000 0.264 313 M C 1.585 177.847 176.300 -0.064 0.000 1.082 313 M CA 1.477 56.676 55.300 -0.169 0.000 1.119 313 M CB -0.078 32.409 32.600 -0.188 0.000 1.398 313 M HN 0.067 nan 8.290 nan 0.000 0.453 314 L N 0.330 121.469 121.223 -0.140 0.000 2.056 314 L HA -0.101 4.239 4.340 0.001 0.000 0.207 314 L C 2.619 179.616 176.870 0.210 0.000 1.078 314 L CA 0.719 55.530 54.840 -0.048 0.000 0.749 314 L CB -0.537 41.426 42.059 -0.159 0.000 0.901 314 L HN 0.205 nan 8.230 nan 0.000 0.433 315 V N 0.010 120.037 119.914 0.188 0.000 2.358 315 V HA -0.279 3.841 4.120 0.001 0.000 0.246 315 V C 2.700 179.121 176.094 0.546 0.000 1.047 315 V CA 1.838 64.382 62.300 0.407 0.000 1.035 315 V CB -0.478 31.568 31.823 0.372 0.000 0.658 315 V HN 0.477 nan 8.190 nan 0.000 0.452 316 A N -0.655 122.279 122.820 0.189 0.000 1.902 316 A HA -0.240 4.081 4.320 0.001 0.000 0.217 316 A C 2.097 179.755 177.584 0.124 0.000 1.181 316 A CA 2.028 53.971 52.037 -0.157 0.000 0.623 316 A CB -0.727 17.730 19.000 -0.906 0.000 0.818 316 A HN 0.575 nan 8.150 nan 0.000 0.443 317 F N -0.451 119.547 119.950 0.080 0.000 2.069 317 F HA -0.190 4.337 4.527 0.001 0.000 0.298 317 F C 1.919 177.818 175.800 0.164 0.000 1.113 317 F CA 2.022 60.105 58.000 0.138 0.000 1.214 317 F CB -0.633 38.519 39.000 0.253 0.000 0.978 317 F HN 0.254 nan 8.300 nan 0.000 0.474 318 F N 0.368 120.330 119.950 0.021 0.000 2.154 318 F HA -0.219 4.308 4.527 0.001 0.000 0.301 318 F C 2.069 177.764 175.800 -0.175 0.000 1.087 318 F CA 1.789 59.719 58.000 -0.117 0.000 1.274 318 F CB -0.546 38.504 39.000 0.083 0.000 1.009 318 F HN 0.150 nan 8.300 nan 0.000 0.485 319 L N -0.671 120.531 121.223 -0.034 0.000 2.072 319 L HA -0.091 4.249 4.340 0.001 0.000 0.205 319 L C 1.984 178.706 176.870 -0.246 0.000 1.079 319 L CA 1.516 56.131 54.840 -0.374 0.000 0.752 319 L CB -0.652 40.857 42.059 -0.916 0.000 0.906 319 L HN 0.028 nan 8.230 nan 0.000 0.436 320 V N -0.716 119.129 119.914 -0.115 0.000 2.331 320 V HA -0.115 4.005 4.120 0.001 0.000 0.242 320 V C 2.113 178.271 176.094 0.105 0.000 1.034 320 V CA 1.582 63.903 62.300 0.035 0.000 1.027 320 V CB -0.510 31.412 31.823 0.165 0.000 0.667 320 V HN 0.330 nan 8.190 nan 0.000 0.457 321 K N -0.645 119.626 120.400 -0.215 0.000 2.417 321 K HA 0.208 4.529 4.320 0.001 0.000 0.196 321 K C 1.124 177.513 176.600 -0.351 0.000 1.023 321 K CA 0.191 56.311 56.287 -0.277 0.000 1.122 321 K CB 0.793 32.963 32.500 -0.550 0.000 0.850 321 K HN 0.303 nan 8.250 nan 0.000 0.521 322 V N -0.348 119.303 119.914 -0.439 0.000 3.159 322 V HA 0.017 4.137 4.120 0.001 0.000 0.234 322 V C 1.261 177.118 176.094 -0.394 0.000 1.313 322 V CA 0.201 62.214 62.300 -0.478 0.000 1.271 322 V CB 0.339 31.613 31.823 -0.915 0.000 1.053 322 V HN 0.146 nan 8.190 nan 0.000 0.476 323 L N -0.213 120.769 121.223 -0.401 0.000 2.592 323 L HA 0.274 4.614 4.340 0.001 0.000 0.227 323 L C 0.882 177.832 176.870 0.133 0.000 1.127 323 L CA 0.095 54.815 54.840 -0.200 0.000 0.884 323 L CB 0.010 41.975 42.059 -0.156 0.000 1.065 323 L HN 0.365 nan 8.230 nan 0.000 0.457 324 F N 1.139 121.057 119.950 -0.053 0.000 2.943 324 F HA -0.227 4.301 4.527 0.001 0.000 0.258 324 F C -0.534 175.318 175.800 0.087 0.000 0.995 324 F CA -0.116 57.953 58.000 0.116 0.000 0.896 324 F CB -1.225 37.876 39.000 0.168 0.000 0.821 324 F HN -0.217 nan 8.300 nan 0.000 0.828 325 V N 2.099 121.931 119.914 -0.136 0.000 2.513 325 V HA 0.253 4.373 4.120 0.001 0.000 0.299 325 V C 0.421 175.954 176.094 -0.934 0.000 1.035 325 V CA -1.007 60.936 62.300 -0.596 0.000 0.889 325 V CB 1.725 33.197 31.823 -0.584 0.000 0.988 325 V HN 0.279 nan 8.190 nan 0.000 0.440 326 D N 4.255 123.729 120.400 -1.543 0.000 2.583 326 D HA -0.105 4.535 4.640 0.001 0.000 0.232 326 D C 1.341 176.809 176.300 -1.387 0.000 1.128 326 D CA -0.035 52.636 54.000 -2.215 0.000 0.859 326 D CB 0.598 40.247 40.800 -1.918 0.000 1.169 326 D HN 0.682 nan 8.370 nan 0.000 0.481 327 W N 4.697 125.297 121.300 -1.167 0.000 2.387 327 W HA -0.152 4.508 4.660 0.001 0.000 0.272 327 W C 1.230 177.354 176.519 -0.658 0.000 1.224 327 W CA -0.035 56.922 57.345 -0.648 0.000 1.210 327 W CB -0.677 28.642 29.460 -0.235 0.000 1.125 327 W HN 0.386 nan 8.180 nan 0.000 0.572 328 R N -0.415 119.454 120.500 -1.051 0.000 2.115 328 R HA -0.139 4.202 4.340 0.001 0.000 0.230 328 R C 2.003 178.078 176.300 -0.374 0.000 1.111 328 R CA 2.067 57.730 56.100 -0.728 0.000 0.976 328 R CB -0.738 29.084 30.300 -0.796 0.000 0.870 328 R HN 0.108 nan 8.270 nan 0.000 0.445 329 W N 0.273 121.128 121.300 -0.742 0.000 2.355 329 W HA 0.018 4.679 4.660 0.001 0.000 0.309 329 W C 2.446 178.689 176.519 -0.460 0.000 1.206 329 W CA 1.377 58.333 57.345 -0.649 0.000 1.284 329 W CB -1.185 27.689 29.460 -0.976 0.000 1.145 329 W HN 0.165 nan 8.180 nan 0.000 0.502 330 G N -0.435 108.069 108.800 -0.493 0.000 2.408 330 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 330 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 330 G C 1.422 175.747 174.900 -0.959 0.000 1.150 330 G CA 1.080 45.750 45.100 -0.717 0.000 0.776 330 G HN 0.366 nan 8.290 nan 0.000 0.542 331 E N 0.210 119.610 120.200 -1.333 0.000 2.058 331 E HA -0.193 4.157 4.350 0.001 0.000 0.194 331 E C 2.499 179.073 176.600 -0.043 0.000 0.997 331 E CA 0.815 56.745 56.400 -0.785 0.000 0.801 331 E CB -0.207 29.328 29.700 -0.274 0.000 0.746 331 E HN 0.329 nan 8.360 nan 0.000 0.450 332 R N -0.543 119.921 120.500 -0.059 0.000 2.075 332 R HA -0.173 4.168 4.340 0.001 0.000 0.232 332 R C 2.376 178.662 176.300 -0.023 0.000 1.126 332 R CA 1.482 57.498 56.100 -0.141 0.000 0.963 332 R CB -0.493 29.563 30.300 -0.406 0.000 0.858 332 R HN 0.323 nan 8.270 nan 0.000 0.435 333 Y N 0.378 120.733 120.300 0.092 0.000 2.165 333 Y HA -0.252 4.298 4.550 0.001 0.000 0.286 333 Y C 1.898 178.019 175.900 0.369 0.000 1.155 333 Y CA 1.543 59.803 58.100 0.265 0.000 1.164 333 Y CB -0.517 38.271 38.460 0.546 0.000 0.978 333 Y HN -0.038 nan 8.280 nan 0.000 0.513 334 F N 0.022 120.094 119.950 0.204 0.000 2.134 334 F HA -0.157 4.370 4.527 0.001 0.000 0.299 334 F C 2.625 178.426 175.800 0.001 0.000 1.097 334 F CA 1.111 59.226 58.000 0.192 0.000 1.264 334 F CB -1.387 37.960 39.000 0.578 0.000 1.001 334 F HN 0.139 nan 8.300 nan 0.000 0.479 335 A N -1.544 121.334 122.820 0.097 0.000 2.076 335 A HA -0.178 4.143 4.320 0.001 0.000 0.220 335 A C 2.236 179.568 177.584 -0.420 0.000 1.160 335 A CA 2.108 53.830 52.037 -0.525 0.000 0.653 335 A CB -1.094 17.503 19.000 -0.672 0.000 0.801 335 A HN 0.345 nan 8.150 nan 0.000 0.455 336 T N -1.401 112.988 114.554 -0.275 0.000 3.067 336 T HA 0.047 4.398 4.350 0.001 0.000 0.257 336 T C 1.736 176.288 174.700 -0.247 0.000 1.105 336 T CA 1.049 62.983 62.100 -0.277 0.000 1.104 336 T CB 0.012 68.697 68.868 -0.304 0.000 0.925 336 T HN 0.340 nan 8.240 nan 0.000 0.498 337 K N -0.005 120.255 120.400 -0.233 0.000 2.403 337 K HA 0.283 4.604 4.320 0.001 0.000 0.199 337 K C 0.221 176.845 176.600 0.040 0.000 1.199 337 K CA -0.156 56.064 56.287 -0.111 0.000 0.924 337 K CB -0.181 32.167 32.500 -0.252 0.000 1.137 337 K HN 0.147 nan 8.250 nan 0.000 0.510 338 L N 2.361 123.555 121.223 -0.047 0.000 2.601 338 L HA -0.047 4.294 4.340 0.001 0.000 0.277 338 L C 1.644 178.551 176.870 0.062 0.000 1.219 338 L CA 0.485 55.314 54.840 -0.018 0.000 0.915 338 L CB 0.241 42.323 42.059 0.038 0.000 1.160 338 L HN -0.124 nan 8.230 nan 0.000 0.494 339 V N 3.259 123.164 119.914 -0.016 0.000 2.871 339 V HA -0.097 4.023 4.120 0.001 0.000 0.256 339 V C 1.214 177.208 176.094 -0.166 0.000 1.082 339 V CA 1.594 63.841 62.300 -0.087 0.000 1.105 339 V CB -0.282 31.324 31.823 -0.361 0.000 0.713 339 V HN 1.028 nan 8.190 nan 0.000 0.473 340 D N -1.867 118.448 120.400 -0.142 0.000 2.463 340 D HA 0.008 4.649 4.640 0.001 0.000 0.224 340 D C 0.557 176.811 176.300 -0.076 0.000 1.174 340 D CA -0.754 53.148 54.000 -0.163 0.000 0.829 340 D CB -0.999 39.706 40.800 -0.158 0.000 0.993 340 D HN 0.540 nan 8.370 nan 0.000 0.497 341 Y N 1.816 122.066 120.300 -0.083 0.000 2.916 341 Y HA 0.012 4.563 4.550 0.001 0.000 0.344 341 Y C -0.271 175.566 175.900 -0.105 0.000 1.282 341 Y CA 0.544 58.620 58.100 -0.039 0.000 1.604 341 Y CB 0.393 38.867 38.460 0.023 0.000 1.207 341 Y HN -0.018 nan 8.280 nan 0.000 0.561 342 D N 8.824 128.760 120.400 -0.773 0.000 2.542 342 D HA 0.217 4.858 4.640 0.001 0.000 0.252 342 D C -2.177 173.653 176.300 -0.783 0.000 1.222 342 D CA -2.005 51.568 54.000 -0.711 0.000 0.895 342 D CB 2.242 42.838 40.800 -0.340 0.000 1.207 342 D HN 0.297 nan 8.370 nan 0.000 0.558 343 P HA -0.211 nan 4.420 nan 0.000 0.216 343 P C 1.062 178.476 177.300 0.190 0.000 1.167 343 P CA 1.994 64.944 63.100 -0.251 0.000 0.914 343 P CB 0.335 31.889 31.700 -0.242 0.000 0.793 344 A N -1.223 121.708 122.820 0.186 0.000 1.898 344 A HA -0.145 4.175 4.320 0.001 0.000 0.216 344 A C 2.250 179.821 177.584 -0.022 0.000 1.181 344 A CA 1.449 53.587 52.037 0.168 0.000 0.620 344 A CB -1.546 17.550 19.000 0.160 0.000 0.819 344 A HN 0.107 nan 8.150 nan 0.000 0.442 345 I N -0.218 120.322 120.570 -0.050 0.000 2.252 345 I HA -0.225 3.945 4.170 0.001 0.000 0.245 345 I C 2.427 178.423 176.117 -0.202 0.000 1.102 345 I CA 1.617 62.850 61.300 -0.111 0.000 1.385 345 I CB -0.429 37.549 38.000 -0.036 0.000 1.064 345 I HN 0.419 nan 8.210 nan 0.000 0.414 346 N N 1.419 120.099 118.700 -0.033 0.000 2.106 346 N HA -0.235 4.505 4.740 0.001 0.000 0.188 346 N C 1.712 177.363 175.510 0.235 0.000 1.029 346 N CA 1.539 54.704 53.050 0.192 0.000 0.848 346 N CB -0.287 38.477 38.487 0.462 0.000 1.007 346 N HN 0.203 nan 8.380 nan 0.000 0.423 347 N N 0.025 118.829 118.700 0.174 0.000 2.043 347 N HA -0.125 4.615 4.740 0.001 0.000 0.193 347 N C 1.775 177.192 175.510 -0.157 0.000 1.037 347 N CA 1.653 54.772 53.050 0.115 0.000 0.851 347 N CB -0.747 37.757 38.487 0.028 0.000 1.027 347 N HN 0.393 nan 8.380 nan 0.000 0.422 348 G N 1.288 109.838 108.800 -0.417 0.000 2.476 348 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 348 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 348 G C 1.615 176.015 174.900 -0.834 0.000 1.164 348 G CA 0.636 45.274 45.100 -0.770 0.000 0.768 348 G HN 0.402 nan 8.290 nan 0.000 0.560 349 N N -0.101 118.063 118.700 -0.894 0.000 2.142 349 N HA -0.106 4.634 4.740 0.001 0.000 0.186 349 N C 2.023 177.389 175.510 -0.241 0.000 1.023 349 N CA 1.111 53.835 53.050 -0.542 0.000 0.852 349 N CB -0.245 37.938 38.487 -0.507 0.000 0.998 349 N HN 0.540 nan 8.380 nan 0.000 0.424 350 W N 2.257 123.437 121.300 -0.200 0.000 2.355 350 W HA -0.080 4.580 4.660 0.001 0.000 0.309 350 W C 2.653 178.985 176.519 -0.312 0.000 1.206 350 W CA 0.680 57.932 57.345 -0.156 0.000 1.284 350 W CB -0.348 29.089 29.460 -0.038 0.000 1.145 350 W HN 0.127 nan 8.180 nan 0.000 0.502 351 Q N -1.488 118.138 119.800 -0.290 0.000 2.124 351 Q HA -0.260 4.081 4.340 0.001 0.000 0.202 351 Q C 1.947 177.844 176.000 -0.173 0.000 0.977 351 Q CA 1.812 57.306 55.803 -0.514 0.000 0.850 351 Q CB -0.965 27.465 28.738 -0.513 0.000 0.901 351 Q HN 0.478 nan 8.270 nan 0.000 0.429 352 W N 1.341 122.516 121.300 -0.207 0.000 2.333 352 W HA -0.217 4.444 4.660 0.001 0.000 0.316 352 W C 1.926 178.369 176.519 -0.127 0.000 1.215 352 W CA 1.042 58.324 57.345 -0.106 0.000 1.278 352 W CB -0.130 29.314 29.460 -0.027 0.000 1.154 352 W HN 0.028 nan 8.180 nan 0.000 0.486 353 I N 0.686 121.382 120.570 0.211 0.000 2.286 353 I HA -0.204 3.966 4.170 0.001 0.000 0.248 353 I C 2.284 178.369 176.117 -0.055 0.000 1.115 353 I CA 1.819 63.187 61.300 0.115 0.000 1.392 353 I CB -1.673 36.389 38.000 0.103 0.000 1.065 353 I HN 0.110 nan 8.210 nan 0.000 0.418 354 A N 0.305 123.096 122.820 -0.048 0.000 2.235 354 A HA 0.021 4.342 4.320 0.001 0.000 0.208 354 A C 1.253 178.767 177.584 -0.116 0.000 1.172 354 A CA 0.838 52.878 52.037 0.006 0.000 0.786 354 A CB -0.614 18.452 19.000 0.110 0.000 0.804 354 A HN 0.612 nan 8.150 nan 0.000 0.479 355 S N -1.717 113.817 115.700 -0.277 0.000 3.631 355 S HA -0.226 4.245 4.470 0.001 0.000 0.366 355 S C 0.568 175.038 174.600 -0.216 0.000 0.993 355 S CA 1.394 59.389 58.200 -0.343 0.000 1.167 355 S CB -2.912 60.003 63.200 -0.476 0.000 0.909 355 S HN 1.673 nan 8.310 nan 0.000 0.478 356 T N -3.768 110.697 114.554 -0.148 0.000 3.145 356 T HA 0.624 4.974 4.350 0.001 0.000 0.281 356 T C 0.886 175.642 174.700 0.093 0.000 1.003 356 T CA 0.329 62.414 62.100 -0.026 0.000 0.901 356 T CB 0.740 69.653 68.868 0.076 0.000 1.112 356 T HN 1.088 nan 8.240 nan 0.000 0.535 357 G N 0.723 109.517 108.800 -0.010 0.000 3.264 357 G HA2 0.484 4.445 3.960 0.001 0.000 0.168 357 G HA3 0.484 4.445 3.960 0.001 0.000 0.168 357 G C 0.670 175.541 174.900 -0.048 0.000 1.145 357 G CA 0.006 45.156 45.100 0.084 0.000 0.855 357 G HN -0.003 nan 8.290 nan 0.000 0.629 358 V N 0.847 120.736 119.914 -0.042 0.000 2.469 358 V HA -0.058 4.063 4.120 0.001 0.000 0.251 358 V C 0.944 176.866 176.094 -0.287 0.000 1.064 358 V CA 1.954 64.228 62.300 -0.044 0.000 1.066 358 V CB -0.359 31.717 31.823 0.421 0.000 0.667 358 V HN 0.545 nan 8.190 nan 0.000 0.461 359 D N -1.547 118.614 120.400 -0.398 0.000 2.316 359 D HA 0.091 4.731 4.640 0.001 0.000 0.245 359 D C 0.407 176.421 176.300 -0.476 0.000 1.171 359 D CA -0.074 53.592 54.000 -0.557 0.000 0.856 359 D CB 0.759 40.689 40.800 -1.449 0.000 1.090 359 D HN 0.308 nan 8.370 nan 0.000 0.476 360 Y N 2.491 122.777 120.300 -0.024 0.000 2.519 360 Y HA 0.054 4.605 4.550 0.001 0.000 0.287 360 Y C 1.341 177.241 175.900 0.001 0.000 1.128 360 Y CA 0.091 58.215 58.100 0.040 0.000 1.282 360 Y CB -0.397 38.127 38.460 0.108 0.000 1.027 360 Y HN 0.451 nan 8.280 nan 0.000 0.551 361 M N -1.432 118.194 119.600 0.043 0.000 2.247 361 M HA 0.233 4.714 4.480 0.001 0.000 0.326 361 M C -0.835 175.422 176.300 -0.070 0.000 1.134 361 M CA -0.378 54.933 55.300 0.018 0.000 1.136 361 M CB 0.545 33.140 32.600 -0.009 0.000 1.454 361 M HN 0.078 nan 8.290 nan 0.000 0.467 362 F N 2.883 122.743 119.950 -0.150 0.000 2.451 362 F HA 0.426 4.953 4.527 0.001 0.000 0.356 362 F C 0.250 175.917 175.800 -0.222 0.000 1.178 362 F CA -0.448 57.417 58.000 -0.224 0.000 1.210 362 F CB 0.076 38.947 39.000 -0.214 0.000 1.504 362 F HN 0.701 nan 8.300 nan 0.000 0.598 363 R N 4.156 124.377 120.500 -0.465 0.000 2.438 363 R HA 0.572 4.913 4.340 0.001 0.000 0.287 363 R C -1.478 174.511 176.300 -0.519 0.000 1.077 363 R CA -0.262 55.555 56.100 -0.472 0.000 1.034 363 R CB 1.207 31.162 30.300 -0.574 0.000 0.993 363 R HN 0.499 nan 8.270 nan 0.000 0.459 364 V N 5.548 125.157 119.914 -0.509 0.000 2.841 364 V HA 0.600 4.720 4.120 0.001 0.000 0.310 364 V C -1.684 173.894 176.094 -0.859 0.000 1.090 364 V CA -0.702 61.362 62.300 -0.393 0.000 0.930 364 V CB 1.734 33.682 31.823 0.208 0.000 1.014 364 V HN 0.696 nan 8.190 nan 0.000 0.425 365 F N 3.877 123.271 119.950 -0.927 0.000 2.546 365 F HA 0.543 5.071 4.527 0.001 0.000 0.320 365 F C 0.291 175.755 175.800 -0.560 0.000 1.076 365 F CA -0.833 56.742 58.000 -0.708 0.000 0.928 365 F CB 1.721 40.183 39.000 -0.896 0.000 1.189 365 F HN 0.488 nan 8.300 nan 0.000 0.465 366 N N 3.699 122.253 118.700 -0.242 0.000 2.437 366 N HA 0.244 4.984 4.740 0.001 0.000 0.243 366 N C -2.108 173.103 175.510 -0.499 0.000 1.041 366 N CA -2.023 50.646 53.050 -0.636 0.000 0.940 366 N CB 1.480 39.864 38.487 -0.171 0.000 1.133 366 N HN 0.174 nan 8.380 nan 0.000 0.506 367 P HA -0.130 nan 4.420 nan 0.000 0.215 367 P C 0.695 177.758 177.300 -0.396 0.000 1.163 367 P CA 1.792 64.597 63.100 -0.491 0.000 0.894 367 P CB 0.002 31.357 31.700 -0.576 0.000 0.791 368 W N -0.081 121.202 121.300 -0.028 0.000 2.381 368 W HA -0.001 4.660 4.660 0.001 0.000 0.301 368 W C 2.459 179.000 176.519 0.037 0.000 1.205 368 W CA 0.804 58.208 57.345 0.098 0.000 1.285 368 W CB -0.880 28.688 29.460 0.179 0.000 1.133 368 W HN -0.098 nan 8.180 nan 0.000 0.521 369 K N 0.185 120.684 120.400 0.164 0.000 2.026 369 K HA -0.233 4.087 4.320 0.001 0.000 0.208 369 K C 2.077 178.653 176.600 -0.039 0.000 1.048 369 K CA 1.700 58.025 56.287 0.064 0.000 0.929 369 K CB -0.309 32.224 32.500 0.056 0.000 0.713 369 K HN 0.004 nan 8.250 nan 0.000 0.439 370 Q N 1.109 120.876 119.800 -0.055 0.000 2.030 370 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 370 Q C 2.051 178.040 176.000 -0.018 0.000 0.986 370 Q CA 1.834 57.604 55.803 -0.055 0.000 0.843 370 Q CB -0.104 28.589 28.738 -0.075 0.000 0.904 370 Q HN 0.272 nan 8.270 nan 0.000 0.420 371 Q N -0.044 119.761 119.800 0.009 0.000 2.077 371 Q HA -0.279 4.062 4.340 0.001 0.000 0.206 371 Q C 1.865 177.908 176.000 0.071 0.000 0.989 371 Q CA 2.014 57.873 55.803 0.093 0.000 0.853 371 Q CB -0.192 28.634 28.738 0.147 0.000 0.907 371 Q HN 0.535 nan 8.270 nan 0.000 0.418 372 E N -0.157 119.995 120.200 -0.081 0.000 2.274 372 E HA -0.169 4.182 4.350 0.001 0.000 0.194 372 E C 1.853 178.293 176.600 -0.268 0.000 0.996 372 E CA 0.859 57.019 56.400 -0.399 0.000 0.840 372 E CB 0.116 29.593 29.700 -0.371 0.000 0.772 372 E HN 0.251 nan 8.360 nan 0.000 0.491 373 K N -0.568 119.664 120.400 -0.281 0.000 2.098 373 K HA -0.040 4.281 4.320 0.001 0.000 0.203 373 K C 1.001 177.338 176.600 -0.439 0.000 1.051 373 K CA 0.770 56.796 56.287 -0.436 0.000 0.957 373 K CB 0.070 32.115 32.500 -0.758 0.000 0.738 373 K HN 0.079 nan 8.250 nan 0.000 0.447 374 F N 0.419 120.305 119.950 -0.107 0.000 2.765 374 F HA 0.171 4.699 4.527 0.001 0.000 0.302 374 F C 0.124 175.952 175.800 0.046 0.000 1.111 374 F CA -0.021 57.848 58.000 -0.218 0.000 1.359 374 F CB 0.539 39.280 39.000 -0.433 0.000 1.097 374 F HN -0.020 nan 8.300 nan 0.000 0.577 375 D N -0.436 120.109 120.400 0.241 0.000 3.220 375 D HA 0.146 4.787 4.640 0.001 0.000 0.309 375 D C -1.742 174.740 176.300 0.304 0.000 1.276 375 D CA -1.540 52.636 54.000 0.294 0.000 0.736 375 D CB 0.565 41.561 40.800 0.327 0.000 1.304 375 D HN -0.121 nan 8.370 nan 0.000 0.582 376 P HA -0.169 nan 4.420 nan 0.000 0.216 376 P C 0.614 178.099 177.300 0.308 0.000 1.150 376 P CA 1.231 64.440 63.100 0.182 0.000 0.843 376 P CB 0.497 32.255 31.700 0.096 0.000 0.787 377 E N -1.062 119.269 120.200 0.219 0.000 2.479 377 E HA 0.247 4.598 4.350 0.001 0.000 0.193 377 E C 1.252 177.926 176.600 0.123 0.000 1.049 377 E CA 0.323 56.813 56.400 0.152 0.000 0.870 377 E CB -0.411 29.348 29.700 0.098 0.000 0.944 377 E HN 0.218 nan 8.360 nan 0.000 0.492 378 A N 1.428 124.355 122.820 0.179 0.000 2.816 378 A HA -0.349 3.972 4.320 0.001 0.000 0.270 378 A C 1.443 179.082 177.584 0.092 0.000 1.413 378 A CA 1.635 53.730 52.037 0.097 0.000 0.866 378 A CB -2.158 16.780 19.000 -0.102 0.000 1.032 378 A HN 0.301 nan 8.150 nan 0.000 0.642 379 K N -1.801 118.680 120.400 0.135 0.000 2.057 379 K HA -0.102 4.218 4.320 0.001 0.000 0.207 379 K C 1.606 178.300 176.600 0.158 0.000 1.049 379 K CA 1.691 58.044 56.287 0.111 0.000 0.931 379 K CB -0.218 32.354 32.500 0.120 0.000 0.714 379 K HN 0.685 nan 8.250 nan 0.000 0.440 380 F N 2.049 122.065 119.950 0.111 0.000 2.102 380 F HA -0.148 4.379 4.527 0.001 0.000 0.298 380 F C 1.912 177.835 175.800 0.206 0.000 1.105 380 F CA 1.187 59.299 58.000 0.186 0.000 1.239 380 F CB -0.285 38.830 39.000 0.193 0.000 0.991 380 F HN -0.109 nan 8.300 nan 0.000 0.474 381 I N 0.317 120.938 120.570 0.085 0.000 2.163 381 I HA -0.357 3.814 4.170 0.001 0.000 0.243 381 I C 2.338 178.390 176.117 -0.110 0.000 1.085 381 I CA 1.712 62.983 61.300 -0.049 0.000 1.347 381 I CB -0.550 37.459 38.000 0.015 0.000 1.044 381 I HN 0.101 nan 8.210 nan 0.000 0.408 382 K N 0.186 120.534 120.400 -0.087 0.000 2.209 382 K HA -0.227 4.094 4.320 0.001 0.000 0.204 382 K C 1.968 178.456 176.600 -0.187 0.000 1.048 382 K CA 1.164 57.379 56.287 -0.120 0.000 0.940 382 K CB -0.062 32.385 32.500 -0.088 0.000 0.729 382 K HN 0.126 nan 8.250 nan 0.000 0.451 383 E N -0.743 119.303 120.200 -0.258 0.000 2.285 383 E HA -0.126 4.224 4.350 0.001 0.000 0.194 383 E C 0.725 176.848 176.600 -0.795 0.000 0.997 383 E CA 1.088 57.178 56.400 -0.516 0.000 0.845 383 E CB 0.121 29.485 29.700 -0.561 0.000 0.782 383 E HN 0.337 nan 8.360 nan 0.000 0.491 384 W N -1.234 119.894 121.300 -0.286 0.000 2.873 384 W HA 0.316 4.976 4.660 0.001 0.000 0.282 384 W C -0.214 176.198 176.519 -0.177 0.000 1.118 384 W CA -0.284 56.907 57.345 -0.257 0.000 1.480 384 W CB 0.855 30.073 29.460 -0.404 0.000 0.954 384 W HN -0.299 nan 8.180 nan 0.000 0.591 385 V N 2.258 122.168 119.914 -0.007 0.000 2.288 385 V HA 0.104 4.225 4.120 0.001 0.000 0.266 385 V C 1.115 177.177 176.094 -0.053 0.000 1.048 385 V CA -0.293 61.999 62.300 -0.015 0.000 0.842 385 V CB 0.711 32.490 31.823 -0.073 0.000 1.064 385 V HN -0.067 nan 8.190 nan 0.000 0.472 386 E N 4.139 124.328 120.200 -0.018 0.000 2.068 386 E HA -0.281 4.070 4.350 0.001 0.000 0.207 386 E C 2.160 178.739 176.600 -0.036 0.000 1.032 386 E CA 2.387 58.769 56.400 -0.029 0.000 0.839 386 E CB 0.066 29.768 29.700 0.003 0.000 0.758 386 E HN 0.826 nan 8.360 nan 0.000 0.457 387 E N 0.289 120.484 120.200 -0.009 0.000 2.118 387 E HA -0.206 4.145 4.350 0.001 0.000 0.195 387 E C 1.966 178.520 176.600 -0.078 0.000 0.992 387 E CA 1.173 57.567 56.400 -0.010 0.000 0.804 387 E CB -0.533 29.211 29.700 0.073 0.000 0.741 387 E HN 0.411 nan 8.360 nan 0.000 0.458 388 L N 0.903 122.030 121.223 -0.160 0.000 2.627 388 L HA 0.127 4.468 4.340 0.001 0.000 0.232 388 L C 2.121 178.910 176.870 -0.135 0.000 1.150 388 L CA -0.073 54.650 54.840 -0.196 0.000 0.917 388 L CB -0.221 41.648 42.059 -0.316 0.000 1.104 388 L HN -0.007 nan 8.230 nan 0.000 0.445 389 K N 1.478 121.815 120.400 -0.105 0.000 2.160 389 K HA -0.205 4.116 4.320 0.001 0.000 0.206 389 K C 0.715 177.268 176.600 -0.078 0.000 1.047 389 K CA 1.855 58.087 56.287 -0.093 0.000 0.930 389 K CB -0.042 32.410 32.500 -0.081 0.000 0.720 389 K HN 0.326 nan 8.250 nan 0.000 0.450 390 D N -1.224 119.134 120.400 -0.069 0.000 2.469 390 D HA 0.102 4.743 4.640 0.001 0.000 0.213 390 D C -0.746 175.519 176.300 -0.057 0.000 1.135 390 D CA -0.162 53.804 54.000 -0.056 0.000 0.834 390 D CB 0.722 41.496 40.800 -0.043 0.000 1.009 390 D HN -0.139 nan 8.370 nan 0.000 0.507 391 V N 3.708 123.578 119.914 -0.073 0.000 2.572 391 V HA 0.163 4.283 4.120 0.001 0.000 0.291 391 V C -1.855 174.192 176.094 -0.078 0.000 1.039 391 V CA -1.270 60.986 62.300 -0.074 0.000 1.055 391 V CB 0.472 32.238 31.823 -0.096 0.000 0.969 391 V HN 0.055 nan 8.190 nan 0.000 0.482 392 P HA 0.137 nan 4.420 nan 0.000 0.271 392 P C -1.980 175.271 177.300 -0.082 0.000 1.216 392 P CA -1.458 61.608 63.100 -0.056 0.000 0.776 392 P CB 0.584 32.263 31.700 -0.036 0.000 0.881 393 P HA -0.283 nan 4.420 nan 0.000 0.217 393 P C 1.773 178.986 177.300 -0.145 0.000 1.158 393 P CA 1.815 64.816 63.100 -0.166 0.000 0.887 393 P CB -0.347 31.329 31.700 -0.039 0.000 0.792 394 S N -0.542 115.160 115.700 0.002 0.000 2.381 394 S HA -0.202 4.268 4.470 0.001 0.000 0.230 394 S C 2.045 176.647 174.600 0.004 0.000 1.052 394 S CA 1.641 59.874 58.200 0.055 0.000 1.068 394 S CB -0.940 62.278 63.200 0.030 0.000 0.918 394 S HN 0.057 nan 8.310 nan 0.000 0.448 395 I N 0.768 121.307 120.570 -0.052 0.000 2.233 395 I HA -0.117 4.054 4.170 0.001 0.000 0.243 395 I C 2.256 178.318 176.117 -0.091 0.000 1.093 395 I CA 1.143 62.396 61.300 -0.078 0.000 1.380 395 I CB -0.429 37.528 38.000 -0.073 0.000 1.067 395 I HN 0.315 nan 8.210 nan 0.000 0.413 396 I N 0.549 121.042 120.570 -0.129 0.000 2.185 396 I HA -0.354 3.816 4.170 0.001 0.000 0.246 396 I C 2.283 178.404 176.117 0.007 0.000 1.088 396 I CA 1.437 62.660 61.300 -0.129 0.000 1.347 396 I CB -0.682 37.164 38.000 -0.255 0.000 1.041 396 I HN 0.354 nan 8.210 nan 0.000 0.415 397 H N -0.155 118.984 119.070 0.115 0.000 2.563 397 H HA 0.095 4.651 4.556 0.001 0.000 0.272 397 H C 1.306 176.711 175.328 0.128 0.000 1.005 397 H CA 0.612 56.787 56.048 0.212 0.000 1.171 397 H CB 0.123 29.977 29.762 0.154 0.000 1.351 397 H HN 0.271 nan 8.280 nan 0.000 0.602 398 S N -0.375 115.293 115.700 -0.053 0.000 3.053 398 S HA 0.127 4.597 4.470 0.001 0.000 0.255 398 S C 1.457 175.592 174.600 -0.774 0.000 0.976 398 S CA -0.368 57.449 58.200 -0.638 0.000 1.159 398 S CB 0.439 63.365 63.200 -0.457 0.000 1.110 398 S HN 0.219 nan 8.310 nan 0.000 0.633 399 I N 2.385 122.783 120.570 -0.286 0.000 2.908 399 I HA -0.271 3.899 4.170 0.001 0.000 0.271 399 I C 1.771 177.814 176.117 -0.123 0.000 1.275 399 I CA 1.394 62.630 61.300 -0.108 0.000 1.446 399 I CB 0.021 38.103 38.000 0.137 0.000 1.092 399 I HN 0.586 nan 8.210 nan 0.000 0.482 400 Y N -0.819 119.326 120.300 -0.258 0.000 2.516 400 Y HA 0.078 4.629 4.550 0.001 0.000 0.291 400 Y C 2.014 177.819 175.900 -0.158 0.000 1.131 400 Y CA 0.296 58.237 58.100 -0.265 0.000 1.281 400 Y CB -0.861 37.221 38.460 -0.629 0.000 1.013 400 Y HN -0.025 nan 8.280 nan 0.000 0.554 401 K N 0.061 120.200 120.400 -0.435 0.000 2.211 401 K HA 0.032 4.353 4.320 0.001 0.000 0.201 401 K C 1.432 177.967 176.600 -0.108 0.000 1.052 401 K CA 1.066 57.224 56.287 -0.214 0.000 0.973 401 K CB 0.039 32.338 32.500 -0.336 0.000 0.766 401 K HN 0.345 nan 8.250 nan 0.000 0.466 402 T N 0.133 114.615 114.554 -0.120 0.000 3.070 402 T HA 0.241 4.591 4.350 0.001 0.000 0.295 402 T C -1.090 173.614 174.700 0.008 0.000 1.221 402 T CA -0.249 61.823 62.100 -0.047 0.000 0.926 402 T CB 0.604 69.440 68.868 -0.052 0.000 2.158 402 T HN -0.029 nan 8.240 nan 0.000 0.573 403 K N 1.521 121.941 120.400 0.033 0.000 2.599 403 K HA 0.281 4.601 4.320 0.001 0.000 0.300 403 K C -0.915 175.731 176.600 0.076 0.000 1.437 403 K CA -0.285 56.045 56.287 0.072 0.000 0.989 403 K CB -0.378 32.156 32.500 0.056 0.000 1.423 403 K HN 0.565 nan 8.250 nan 0.000 0.507 404 V N 1.306 121.283 119.914 0.105 0.000 2.924 404 V HA 0.686 4.807 4.120 0.001 0.000 0.305 404 V C -1.868 174.290 176.094 0.108 0.000 1.073 404 V CA -1.100 61.252 62.300 0.086 0.000 1.098 404 V CB 0.104 31.966 31.823 0.065 0.000 1.000 404 V HN 0.662 nan 8.190 nan 0.000 0.484 405 P HA 0.245 nan 4.420 nan 0.000 0.268 405 P C 0.905 178.263 177.300 0.097 0.000 1.204 405 P CA 1.299 64.442 63.100 0.071 0.000 0.768 405 P CB 0.972 32.699 31.700 0.045 0.000 0.842 406 G N 1.936 110.793 108.800 0.095 0.000 2.212 406 G HA2 -0.300 3.661 3.960 0.001 0.000 0.266 406 G HA3 -0.300 3.661 3.960 0.001 0.000 0.266 406 G C -0.302 174.702 174.900 0.173 0.000 0.978 406 G CA 0.255 45.420 45.100 0.107 0.000 0.632 406 G HN 0.637 nan 8.290 nan 0.000 0.537 407 Y N 3.465 123.790 120.300 0.041 0.000 2.356 407 Y HA 0.566 5.117 4.550 0.001 0.000 0.334 407 Y C -1.998 173.944 175.900 0.070 0.000 0.958 407 Y CA -2.796 55.336 58.100 0.053 0.000 1.196 407 Y CB 1.784 40.273 38.460 0.049 0.000 1.137 407 Y HN 0.089 nan 8.280 nan 0.000 0.485 408 P HA 0.007 nan 4.420 nan 0.000 0.266 408 P C -0.515 176.593 177.300 -0.319 0.000 1.195 408 P CA 0.219 63.170 63.100 -0.248 0.000 0.768 408 P CB 0.957 32.546 31.700 -0.185 0.000 0.838 409 S N 3.081 118.735 115.700 -0.076 0.000 2.617 409 S HA 0.378 4.848 4.470 0.001 0.000 0.269 409 S C -2.251 172.383 174.600 0.057 0.000 1.292 409 S CA -1.549 56.660 58.200 0.015 0.000 1.010 409 S CB -0.609 62.633 63.200 0.070 0.000 0.944 409 S HN 0.388 nan 8.310 nan 0.000 0.536 410 P HA -0.078 nan 4.420 nan 0.000 0.257 410 P C 0.914 178.371 177.300 0.262 0.000 1.153 410 P CA 0.312 63.540 63.100 0.213 0.000 0.762 410 P CB -0.102 31.712 31.700 0.189 0.000 0.743 411 I N 1.841 122.608 120.570 0.328 0.000 3.444 411 I HA 0.056 4.227 4.170 0.001 0.000 0.287 411 I C 0.445 176.680 176.117 0.197 0.000 1.302 411 I CA 0.083 61.535 61.300 0.254 0.000 1.368 411 I CB -0.229 37.924 38.000 0.256 0.000 1.048 411 I HN 0.094 nan 8.210 nan 0.000 0.487 412 V N -2.453 117.626 119.914 0.276 0.000 3.278 412 V HA 0.314 4.434 4.120 0.001 0.000 0.288 412 V C -1.185 175.112 176.094 0.339 0.000 1.514 412 V CA -1.023 61.388 62.300 0.184 0.000 1.051 412 V CB 1.341 33.143 31.823 -0.034 0.000 1.163 412 V HN 0.319 nan 8.190 nan 0.000 0.458 413 N N 2.343 121.178 118.700 0.225 0.000 2.439 413 N HA 0.160 4.900 4.740 0.001 0.000 0.249 413 N C 1.017 176.651 175.510 0.206 0.000 1.003 413 N CA -0.310 52.891 53.050 0.251 0.000 0.942 413 N CB 0.898 39.431 38.487 0.076 0.000 1.115 413 N HN 1.055 nan 8.380 nan 0.000 0.505 414 W N 5.149 126.640 121.300 0.317 0.000 2.321 414 W HA -0.189 4.471 4.660 0.001 0.000 0.306 414 W C 1.047 177.649 176.519 0.140 0.000 1.217 414 W CA 0.261 57.714 57.345 0.179 0.000 1.257 414 W CB -0.846 28.788 29.460 0.290 0.000 1.145 414 W HN 0.411 nan 8.180 nan 0.000 0.509 415 L N 1.892 122.367 121.223 -1.245 0.000 1.989 415 L HA -0.230 4.111 4.340 0.001 0.000 0.211 415 L C 2.530 179.134 176.870 -0.444 0.000 1.071 415 L CA 2.671 56.820 54.840 -1.152 0.000 0.749 415 L CB -1.008 40.420 42.059 -1.052 0.000 0.890 415 L HN 0.118 nan 8.230 nan 0.000 0.431 416 E N -0.954 119.081 120.200 -0.276 0.000 2.051 416 E HA -0.223 4.128 4.350 0.001 0.000 0.192 416 E C 2.160 178.710 176.600 -0.083 0.000 0.991 416 E CA 0.890 57.206 56.400 -0.141 0.000 0.799 416 E CB -0.054 29.590 29.700 -0.093 0.000 0.748 416 E HN 0.402 nan 8.360 nan 0.000 0.449 417 R N 0.640 121.099 120.500 -0.069 0.000 2.082 417 R HA -0.137 4.203 4.340 0.001 0.000 0.234 417 R C 2.513 178.802 176.300 -0.019 0.000 1.136 417 R CA 1.083 57.166 56.100 -0.029 0.000 0.935 417 R CB -1.270 28.998 30.300 -0.053 0.000 0.842 417 R HN 0.149 nan 8.270 nan 0.000 0.430 418 V N 2.626 122.536 119.914 -0.007 0.000 2.380 418 V HA -0.267 3.854 4.120 0.001 0.000 0.251 418 V C 2.115 178.203 176.094 -0.009 0.000 1.063 418 V CA 1.849 64.188 62.300 0.065 0.000 1.055 418 V CB -0.595 31.371 31.823 0.238 0.000 0.657 418 V HN 0.328 nan 8.190 nan 0.000 0.455 419 N N -0.801 117.859 118.700 -0.066 0.000 2.142 419 N HA -0.182 4.558 4.740 0.001 0.000 0.186 419 N C 1.823 177.253 175.510 -0.132 0.000 1.023 419 N CA 1.845 54.829 53.050 -0.110 0.000 0.852 419 N CB -0.352 38.077 38.487 -0.097 0.000 0.998 419 N HN 0.684 nan 8.380 nan 0.000 0.424 420 Y N 2.069 122.254 120.300 -0.192 0.000 2.163 420 Y HA -0.171 4.379 4.550 0.001 0.000 0.288 420 Y C 2.317 178.025 175.900 -0.320 0.000 1.136 420 Y CA 1.223 59.185 58.100 -0.231 0.000 1.147 420 Y CB -0.294 38.029 38.460 -0.227 0.000 0.987 420 Y HN -0.234 nan 8.280 nan 0.000 0.509 421 V N 1.186 120.831 119.914 -0.447 0.000 2.332 421 V HA -0.352 3.769 4.120 0.001 0.000 0.248 421 V C 2.380 178.314 176.094 -0.267 0.000 1.055 421 V CA 2.416 64.390 62.300 -0.544 0.000 1.038 421 V CB -0.783 30.930 31.823 -0.184 0.000 0.651 421 V HN 0.391 nan 8.190 nan 0.000 0.450 422 K N 0.823 121.009 120.400 -0.358 0.000 2.057 422 K HA -0.189 4.131 4.320 0.001 0.000 0.206 422 K C 2.425 178.770 176.600 -0.424 0.000 1.050 422 K CA 1.730 57.583 56.287 -0.722 0.000 0.935 422 K CB -0.269 31.575 32.500 -1.093 0.000 0.715 422 K HN 0.621 nan 8.250 nan 0.000 0.439 423 S N 0.700 116.171 115.700 -0.381 0.000 2.370 423 S HA -0.157 4.313 4.470 0.001 0.000 0.226 423 S C 1.770 176.202 174.600 -0.280 0.000 1.033 423 S CA 1.064 59.086 58.200 -0.297 0.000 1.011 423 S CB -0.357 62.677 63.200 -0.277 0.000 0.852 423 S HN 0.307 nan 8.310 nan 0.000 0.457 424 E N 0.510 120.460 120.200 -0.417 0.000 2.153 424 E HA -0.087 4.263 4.350 0.001 0.000 0.194 424 E C 1.732 178.257 176.600 -0.125 0.000 0.988 424 E CA 1.109 57.303 56.400 -0.343 0.000 0.811 424 E CB -0.347 29.032 29.700 -0.534 0.000 0.746 424 E HN 0.783 nan 8.360 nan 0.000 0.466 425 Y N 1.114 121.311 120.300 -0.171 0.000 2.153 425 Y HA -0.130 4.421 4.550 0.001 0.000 0.289 425 Y C 2.533 178.459 175.900 0.044 0.000 1.127 425 Y CA 1.293 59.411 58.100 0.029 0.000 1.131 425 Y CB 0.047 38.551 38.460 0.073 0.000 0.995 425 Y HN -0.069 nan 8.280 nan 0.000 0.505 426 K N 0.083 120.544 120.400 0.101 0.000 2.113 426 K HA -0.251 4.070 4.320 0.001 0.000 0.208 426 K C 1.926 178.522 176.600 -0.007 0.000 1.047 426 K CA 1.362 57.667 56.287 0.030 0.000 0.928 426 K CB -0.326 32.140 32.500 -0.056 0.000 0.716 426 K HN 0.289 nan 8.250 nan 0.000 0.446 427 N N 1.212 119.884 118.700 -0.047 0.000 2.061 427 N HA -0.136 4.605 4.740 0.001 0.000 0.193 427 N C 0.664 176.136 175.510 -0.064 0.000 1.030 427 N CA 0.943 53.952 53.050 -0.068 0.000 0.856 427 N CB -0.157 38.269 38.487 -0.100 0.000 1.023 427 N HN -0.109 nan 8.380 nan 0.000 0.424 428 V N 0.000 119.874 119.914 -0.067 0.000 2.409 428 V HA 0.000 4.120 4.120 0.001 0.000 0.244 428 V CA 0.000 62.238 62.300 -0.104 0.000 1.235 428 V CB 0.000 31.742 31.823 -0.135 0.000 1.184 428 V HN 0.000 nan 8.190 nan 0.000 0.556