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 2hy7_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRPCYLVLSS HDFRTPRRAN IHFITDQLAL RGTTRFFSLR YSRLSRMKGD DATA SEQUENCE MRLPLDDTAN TVVSHNGVDC YLWRTTVHPF NTRRSWLRPV EDAMFRWYAA DATA SEQUENCE HPPKQLLDWM RESDVIVFES GIAVAFIELA KRVNPAAKLV YRASDGLSTI DATA SEQUENCE NVASYIEREF DRVAPTLDVI ALVSPAMAAE VVSRDNVFHV GHGVDHNLDQ DATA SEQUENCE LGDPSPYAEG IHAVAVGSML FDPEFFVVAS KAFPQVTFHV IGSGMGRHPG DATA SEQUENCE YGDNVIVYGE MKHAQTIGYI KHARFGIAPY ASEQVPVYLA DSSMKLLQYD DATA SEQUENCE FFGLPAVCPN AVVGPYKSRF GYTPGNADSV IAAITQALEA PRVRYRQCLN DATA SEQUENCE WSDTTDRVLD PRAYPETRLY PHP 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.260 176.300 -0.066 0.000 0.893 13 R CA 0.000 56.064 56.100 -0.061 0.000 0.921 13 R CB 0.000 30.264 30.300 -0.061 0.000 0.687 14 R N 0.280 120.748 120.500 -0.052 0.000 3.569 14 R HA -0.222 4.118 4.340 0.001 0.000 0.584 14 R C -2.443 173.794 176.300 -0.106 0.000 0.241 14 R CA 0.795 56.867 56.100 -0.047 0.000 1.805 14 R CB -1.232 29.063 30.300 -0.008 0.000 0.922 14 R HN 0.337 nan 8.270 nan 0.000 0.601 15 P HA 0.085 nan 4.420 nan 0.000 0.271 15 P C -0.534 176.453 177.300 -0.521 0.000 1.216 15 P CA -0.247 62.643 63.100 -0.350 0.000 0.776 15 P CB 0.592 32.023 31.700 -0.448 0.000 0.881 16 C N 5.210 124.214 119.300 -0.494 0.000 2.307 16 C HA 0.514 4.974 4.460 0.001 0.000 0.340 16 C C -0.810 173.839 174.990 -0.567 0.000 1.275 16 C CA -0.287 58.484 59.018 -0.411 0.000 1.811 16 C CB -1.573 26.018 27.740 -0.248 0.000 2.372 16 C HN 0.457 nan 8.230 nan 0.000 0.531 17 Y N 4.885 125.077 120.300 -0.180 0.000 2.409 17 Y HA 0.691 5.242 4.550 0.001 0.000 0.339 17 Y C -0.049 175.689 175.900 -0.271 0.000 1.033 17 Y CA -0.849 57.133 58.100 -0.197 0.000 1.094 17 Y CB 1.419 39.771 38.460 -0.181 0.000 1.210 17 Y HN 0.623 nan 8.280 nan 0.000 0.456 18 L N 3.287 124.436 121.223 -0.123 0.000 2.381 18 L HA 0.786 5.127 4.340 0.001 0.000 0.274 18 L C -1.629 175.074 176.870 -0.278 0.000 0.988 18 L CA -0.757 53.944 54.840 -0.231 0.000 0.824 18 L CB 1.647 43.571 42.059 -0.226 0.000 1.263 18 L HN 0.414 nan 8.230 nan 0.000 0.410 19 V N 5.897 125.601 119.914 -0.350 0.000 2.459 19 V HA 0.537 4.657 4.120 0.001 0.000 0.295 19 V C -0.563 175.198 176.094 -0.556 0.000 1.029 19 V CA -0.531 61.456 62.300 -0.521 0.000 0.874 19 V CB 1.562 32.938 31.823 -0.746 0.000 0.985 19 V HN 0.561 nan 8.190 nan 0.000 0.438 20 L N 4.169 125.132 121.223 -0.434 0.000 2.333 20 L HA 0.817 5.158 4.340 0.001 0.000 0.280 20 L C -0.040 176.768 176.870 -0.104 0.000 1.004 20 L CA 0.591 55.317 54.840 -0.191 0.000 0.820 20 L CB 1.707 43.715 42.059 -0.085 0.000 1.247 20 L HN 0.815 nan 8.230 nan 0.000 0.416 21 S N 0.692 116.394 115.700 0.004 0.000 2.587 21 S HA 0.308 4.779 4.470 0.001 0.000 0.269 21 S C 0.366 175.118 174.600 0.254 0.000 1.154 21 S CA 0.080 58.356 58.200 0.127 0.000 0.824 21 S CB 1.584 64.844 63.200 0.100 0.000 1.118 21 S HN 0.501 nan 8.310 nan 0.000 0.462 22 S N 0.915 116.746 115.700 0.219 0.000 2.527 22 S HA 0.161 4.632 4.470 0.001 0.000 0.222 22 S C 0.581 175.237 174.600 0.093 0.000 0.985 22 S CA 0.153 58.443 58.200 0.150 0.000 0.921 22 S CB -0.439 62.809 63.200 0.079 0.000 0.772 22 S HN 0.716 nan 8.310 nan 0.000 0.529 23 H N 1.867 121.087 119.070 0.251 0.000 2.757 23 H HA 0.188 4.744 4.556 0.001 0.000 0.370 23 H C -0.334 175.154 175.328 0.267 0.000 1.172 23 H CA 0.454 56.647 56.048 0.241 0.000 1.426 23 H CB 0.427 30.344 29.762 0.258 0.000 1.438 23 H HN 0.395 nan 8.280 nan 0.000 0.612 24 D N 0.922 121.450 120.400 0.212 0.000 2.248 24 D HA -0.027 4.613 4.640 0.001 0.000 0.246 24 D C 0.524 176.682 176.300 -0.237 0.000 1.027 24 D CA -0.594 53.416 54.000 0.017 0.000 0.853 24 D CB 1.276 42.044 40.800 -0.054 0.000 1.243 24 D HN 0.292 nan 8.370 nan 0.000 0.462 25 F N 3.499 122.924 119.950 -0.876 0.000 2.333 25 F HA -0.029 4.498 4.527 0.001 0.000 0.300 25 F C 2.017 177.663 175.800 -0.256 0.000 1.083 25 F CA 1.165 58.654 58.000 -0.852 0.000 1.395 25 F CB 0.174 38.619 39.000 -0.924 0.000 1.056 25 F HN 0.375 nan 8.300 nan 0.000 0.529 26 R N -0.797 119.495 120.500 -0.346 0.000 2.275 26 R HA 0.056 4.396 4.340 0.001 0.000 0.199 26 R C 0.507 176.551 176.300 -0.426 0.000 0.989 26 R CA 0.528 56.290 56.100 -0.563 0.000 1.016 26 R CB -0.393 29.591 30.300 -0.527 0.000 0.918 26 R HN 0.056 nan 8.270 nan 0.000 0.473 27 T N 3.590 117.978 114.554 -0.277 0.000 2.829 27 T HA 0.095 4.445 4.350 0.001 0.000 0.293 27 T C -2.254 172.259 174.700 -0.311 0.000 0.970 27 T CA -0.927 61.039 62.100 -0.222 0.000 1.168 27 T CB 0.913 69.725 68.868 -0.093 0.000 0.911 27 T HN -0.040 nan 8.240 nan 0.000 0.535 28 P HA 0.200 nan 4.420 nan 0.000 0.268 28 P C -0.435 176.711 177.300 -0.256 0.000 1.208 28 P CA -0.248 62.706 63.100 -0.243 0.000 0.777 28 P CB 0.407 32.011 31.700 -0.159 0.000 0.875 29 R N 0.311 120.651 120.500 -0.268 0.000 2.388 29 R HA -0.132 4.208 4.340 0.001 0.000 0.344 29 R C -0.524 175.526 176.300 -0.416 0.000 1.043 29 R CA 0.366 56.324 56.100 -0.236 0.000 0.776 29 R CB -2.056 28.168 30.300 -0.126 0.000 2.324 29 R HN 0.643 nan 8.270 nan 0.000 0.479 30 R N 0.791 120.941 120.500 -0.583 0.000 2.623 30 R HA 0.402 4.742 4.340 0.001 0.000 0.271 30 R C 1.024 177.050 176.300 -0.456 0.000 1.043 30 R CA 0.811 56.346 56.100 -0.942 0.000 1.083 30 R CB 0.548 30.113 30.300 -1.225 0.000 0.974 30 R HN 0.622 nan 8.270 nan 0.000 0.436 31 A N 1.805 124.425 122.820 -0.333 0.000 2.326 31 A HA 0.123 4.443 4.320 0.001 0.000 0.303 31 A C 1.188 178.834 177.584 0.103 0.000 1.164 31 A CA -0.518 51.500 52.037 -0.032 0.000 0.929 31 A CB 0.363 19.261 19.000 -0.170 0.000 1.363 31 A HN 0.962 nan 8.150 nan 0.000 0.498 32 N N -0.429 118.331 118.700 0.101 0.000 2.104 32 N HA -0.208 4.532 4.740 0.001 0.000 0.190 32 N C 1.409 176.941 175.510 0.037 0.000 1.024 32 N CA 2.139 55.268 53.050 0.132 0.000 0.853 32 N CB -0.354 38.243 38.487 0.184 0.000 1.008 32 N HN 0.486 nan 8.380 nan 0.000 0.424 33 I N 1.653 122.246 120.570 0.038 0.000 2.361 33 I HA -0.216 3.955 4.170 0.001 0.000 0.251 33 I C 1.816 177.912 176.117 -0.034 0.000 1.133 33 I CA 1.353 62.660 61.300 0.013 0.000 1.413 33 I CB -0.432 37.603 38.000 0.057 0.000 1.073 33 I HN 0.152 nan 8.210 nan 0.000 0.424 34 H N -1.049 117.942 119.070 -0.131 0.000 2.357 34 H HA -0.101 4.455 4.556 0.001 0.000 0.301 34 H C 1.915 177.043 175.328 -0.332 0.000 1.082 34 H CA 2.295 58.234 56.048 -0.181 0.000 1.342 34 H CB -0.523 28.910 29.762 -0.548 0.000 1.389 34 H HN 0.278 nan 8.280 nan 0.000 0.511 35 F N 0.119 119.828 119.950 -0.403 0.000 2.171 35 F HA -0.115 4.413 4.527 0.001 0.000 0.300 35 F C 2.289 177.668 175.800 -0.701 0.000 1.090 35 F CA 0.946 58.431 58.000 -0.858 0.000 1.293 35 F CB -0.489 37.334 39.000 -1.963 0.000 1.013 35 F HN 0.108 nan 8.300 nan 0.000 0.486 36 I N -0.682 119.676 120.570 -0.352 0.000 2.179 36 I HA -0.293 3.877 4.170 0.001 0.000 0.242 36 I C 2.270 178.308 176.117 -0.133 0.000 1.088 36 I CA 1.590 62.813 61.300 -0.128 0.000 1.357 36 I CB -0.799 37.190 38.000 -0.017 0.000 1.051 36 I HN 0.094 nan 8.210 nan 0.000 0.409 37 T N 0.037 114.527 114.554 -0.107 0.000 2.788 37 T HA -0.179 4.171 4.350 0.001 0.000 0.268 37 T C 1.483 176.070 174.700 -0.188 0.000 1.044 37 T CA 1.440 63.444 62.100 -0.161 0.000 1.139 37 T CB -0.326 68.464 68.868 -0.131 0.000 0.867 37 T HN 0.300 nan 8.240 nan 0.000 0.454 38 D N 1.033 121.391 120.400 -0.069 0.000 2.123 38 D HA -0.096 4.545 4.640 0.001 0.000 0.196 38 D C 2.445 178.701 176.300 -0.074 0.000 0.992 38 D CA 0.952 54.930 54.000 -0.036 0.000 0.833 38 D CB -0.185 40.599 40.800 -0.028 0.000 0.954 38 D HN 0.307 nan 8.370 nan 0.000 0.455 39 Q N 0.094 119.844 119.800 -0.084 0.000 2.119 39 Q HA -0.024 4.317 4.340 0.001 0.000 0.201 39 Q C 2.681 178.577 176.000 -0.172 0.000 0.972 39 Q CA 0.411 56.166 55.803 -0.079 0.000 0.847 39 Q CB -0.391 28.333 28.738 -0.023 0.000 0.903 39 Q HN 0.404 nan 8.270 nan 0.000 0.433 40 L N 0.142 121.191 121.223 -0.290 0.000 2.042 40 L HA -0.173 4.167 4.340 0.001 0.000 0.210 40 L C 2.415 179.124 176.870 -0.269 0.000 1.076 40 L CA 1.243 55.772 54.840 -0.519 0.000 0.749 40 L CB -0.773 40.885 42.059 -0.668 0.000 0.893 40 L HN 0.118 nan 8.230 nan 0.000 0.432 41 A N 0.057 122.761 122.820 -0.193 0.000 2.019 41 A HA -0.124 4.196 4.320 0.001 0.000 0.219 41 A C 2.218 179.763 177.584 -0.065 0.000 1.164 41 A CA 1.245 53.209 52.037 -0.121 0.000 0.644 41 A CB -0.602 18.314 19.000 -0.140 0.000 0.805 41 A HN 0.403 nan 8.150 nan 0.000 0.449 42 L N -1.644 119.541 121.223 -0.063 0.000 2.291 42 L HA -0.067 4.274 4.340 0.001 0.000 0.214 42 L C 2.625 179.488 176.870 -0.011 0.000 1.120 42 L CA 0.918 55.739 54.840 -0.033 0.000 0.799 42 L CB -0.256 41.784 42.059 -0.031 0.000 0.925 42 L HN 0.324 nan 8.230 nan 0.000 0.446 43 R N -0.661 119.840 120.500 0.001 0.000 2.206 43 R HA 0.271 4.611 4.340 0.001 0.000 0.198 43 R C 0.652 177.038 176.300 0.143 0.000 0.986 43 R CA 0.478 56.623 56.100 0.076 0.000 1.029 43 R CB 0.599 30.958 30.300 0.098 0.000 0.966 43 R HN 0.333 nan 8.270 nan 0.000 0.487 44 G N -0.910 107.981 108.800 0.151 0.000 2.349 44 G HA2 0.065 4.025 3.960 0.001 0.000 0.294 44 G HA3 0.065 4.025 3.960 0.001 0.000 0.294 44 G C -1.156 173.782 174.900 0.063 0.000 1.380 44 G CA -0.880 44.281 45.100 0.101 0.000 0.811 44 G HN -0.127 nan 8.290 nan 0.000 0.519 45 T N 1.575 116.119 114.554 -0.017 0.000 2.866 45 T HA 0.447 4.797 4.350 0.001 0.000 0.293 45 T C -0.016 174.641 174.700 -0.072 0.000 1.005 45 T CA 0.829 62.888 62.100 -0.069 0.000 1.162 45 T CB 0.285 69.088 68.868 -0.108 0.000 0.968 45 T HN 0.560 nan 8.240 nan 0.000 0.530 46 T N 5.037 119.513 114.554 -0.129 0.000 2.879 46 T HA 0.546 4.896 4.350 0.001 0.000 0.290 46 T C -0.176 174.333 174.700 -0.318 0.000 0.993 46 T CA -0.909 61.094 62.100 -0.162 0.000 0.975 46 T CB 1.291 70.065 68.868 -0.155 0.000 0.981 46 T HN 0.274 nan 8.240 nan 0.000 0.439 47 R N 1.583 121.832 120.500 -0.419 0.000 2.711 47 R HA 0.712 5.053 4.340 0.001 0.000 0.284 47 R C -1.515 174.614 176.300 -0.285 0.000 0.968 47 R CA -0.857 54.864 56.100 -0.631 0.000 0.924 47 R CB 1.246 30.767 30.300 -1.298 0.000 1.162 47 R HN 0.654 nan 8.270 nan 0.000 0.465 48 F N 2.955 122.760 119.950 -0.243 0.000 2.577 48 F HA 0.427 4.954 4.527 0.001 0.000 0.344 48 F C -1.426 174.519 175.800 0.241 0.000 1.145 48 F CA -0.896 57.081 58.000 -0.038 0.000 0.996 48 F CB 0.801 39.719 39.000 -0.135 0.000 1.248 48 F HN 0.465 nan 8.300 nan 0.000 0.447 49 F N 5.329 125.411 119.950 0.219 0.000 2.388 49 F HA 0.456 4.983 4.527 0.001 0.000 0.358 49 F C -0.229 175.737 175.800 0.277 0.000 1.122 49 F CA -0.338 57.864 58.000 0.337 0.000 1.056 49 F CB 1.077 40.190 39.000 0.187 0.000 1.155 49 F HN 0.280 nan 8.300 nan 0.000 0.461 50 S N 7.043 122.803 115.700 0.099 0.000 2.457 50 S HA 0.646 5.116 4.470 0.001 0.000 0.289 50 S C -0.503 174.214 174.600 0.194 0.000 1.163 50 S CA -0.567 57.760 58.200 0.212 0.000 1.078 50 S CB 0.253 63.552 63.200 0.166 0.000 0.987 50 S HN 0.665 nan 8.310 nan 0.000 0.482 51 L N 4.159 125.579 121.223 0.328 0.000 2.331 51 L HA 0.650 4.990 4.340 0.001 0.000 0.268 51 L C 1.110 178.171 176.870 0.318 0.000 1.015 51 L CA -1.062 54.053 54.840 0.458 0.000 0.807 51 L CB 0.667 43.050 42.059 0.541 0.000 1.293 51 L HN 0.845 nan 8.230 nan 0.000 0.451 52 R N 0.229 120.922 120.500 0.321 0.000 3.656 52 R HA -0.235 4.105 4.340 0.001 0.000 0.297 52 R C -1.471 174.671 176.300 -0.263 0.000 1.166 52 R CA 0.392 56.474 56.100 -0.030 0.000 0.799 52 R CB -1.288 29.029 30.300 0.028 0.000 1.285 52 R HN 0.529 nan 8.270 nan 0.000 0.477 53 Y N 0.138 120.303 120.300 -0.225 0.000 2.364 53 Y HA 0.606 5.156 4.550 0.001 0.000 0.340 53 Y C -0.219 175.572 175.900 -0.182 0.000 0.975 53 Y CA 0.290 58.252 58.100 -0.229 0.000 1.089 53 Y CB 1.606 39.999 38.460 -0.111 0.000 1.192 53 Y HN 0.250 nan 8.280 nan 0.000 0.454 54 S N 4.387 119.672 115.700 -0.691 0.000 2.688 54 S HA 0.491 4.961 4.470 0.001 0.000 0.275 54 S C 0.202 174.502 174.600 -0.501 0.000 1.175 54 S CA -1.104 56.843 58.200 -0.422 0.000 0.818 54 S CB 1.752 64.904 63.200 -0.079 0.000 1.157 54 S HN 0.753 nan 8.310 nan 0.000 0.482 55 R N -0.579 119.754 120.500 -0.279 0.000 2.120 55 R HA -0.019 4.321 4.340 0.001 0.000 0.234 55 R C 1.878 178.064 176.300 -0.190 0.000 1.123 55 R CA 1.240 57.212 56.100 -0.213 0.000 0.975 55 R CB -0.781 29.445 30.300 -0.125 0.000 0.866 55 R HN 0.529 nan 8.270 nan 0.000 0.446 56 L N 1.047 122.170 121.223 -0.166 0.000 2.191 56 L HA -0.126 4.215 4.340 0.001 0.000 0.212 56 L C 1.820 178.607 176.870 -0.139 0.000 1.103 56 L CA 1.651 56.399 54.840 -0.154 0.000 0.769 56 L CB -0.361 41.575 42.059 -0.204 0.000 0.908 56 L HN 0.004 nan 8.230 nan 0.000 0.438 57 S N -0.600 114.995 115.700 -0.175 0.000 2.419 57 S HA -0.188 4.282 4.470 0.001 0.000 0.235 57 S C 1.948 176.470 174.600 -0.131 0.000 1.019 57 S CA 1.068 59.157 58.200 -0.185 0.000 0.982 57 S CB -0.362 62.604 63.200 -0.389 0.000 0.789 57 S HN 0.503 nan 8.310 nan 0.000 0.490 58 R N 0.573 120.987 120.500 -0.144 0.000 2.096 58 R HA 0.044 4.384 4.340 0.001 0.000 0.235 58 R C 2.056 178.318 176.300 -0.063 0.000 1.127 58 R CA 1.322 57.374 56.100 -0.081 0.000 0.968 58 R CB -0.341 29.912 30.300 -0.078 0.000 0.861 58 R HN 0.430 nan 8.270 nan 0.000 0.440 59 M N 0.026 119.579 119.600 -0.079 0.000 2.492 59 M HA -0.051 4.429 4.480 0.001 0.000 0.262 59 M C 1.486 177.746 176.300 -0.066 0.000 1.090 59 M CA 1.390 56.648 55.300 -0.069 0.000 1.110 59 M CB 0.332 32.883 32.600 -0.082 0.000 1.407 59 M HN -0.023 nan 8.290 nan 0.000 0.470 60 K N -0.361 119.995 120.400 -0.072 0.000 2.348 60 K HA 0.268 4.589 4.320 0.001 0.000 0.194 60 K C 0.645 177.224 176.600 -0.034 0.000 1.052 60 K CA 0.530 56.779 56.287 -0.064 0.000 1.004 60 K CB 0.648 33.095 32.500 -0.087 0.000 0.873 60 K HN 0.341 nan 8.250 nan 0.000 0.523 61 G N 3.278 112.063 108.800 -0.024 0.000 2.520 61 G HA2 -0.189 3.771 3.960 0.001 0.000 0.264 61 G HA3 -0.189 3.771 3.960 0.001 0.000 0.264 61 G C -0.836 174.070 174.900 0.010 0.000 1.140 61 G CA -0.222 44.876 45.100 -0.004 0.000 1.012 61 G HN 0.289 nan 8.290 nan 0.000 0.511 62 D N 0.706 121.123 120.400 0.028 0.000 2.350 62 D HA 0.302 4.942 4.640 0.001 0.000 0.249 62 D C 1.843 178.175 176.300 0.052 0.000 1.119 62 D CA -0.628 53.406 54.000 0.056 0.000 0.886 62 D CB 0.600 41.480 40.800 0.132 0.000 1.195 62 D HN 0.052 nan 8.370 nan 0.000 0.437 63 M N 3.202 122.818 119.600 0.027 0.000 2.446 63 M HA -0.098 4.382 4.480 0.001 0.000 0.263 63 M C 1.558 177.845 176.300 -0.023 0.000 1.066 63 M CA 1.083 56.385 55.300 0.004 0.000 1.087 63 M CB -0.630 31.973 32.600 0.003 0.000 1.406 63 M HN 0.363 nan 8.290 nan 0.000 0.459 64 R N -0.549 119.934 120.500 -0.029 0.000 2.310 64 R HA 0.176 4.517 4.340 0.001 0.000 0.202 64 R C 1.908 178.133 176.300 -0.126 0.000 0.933 64 R CA -0.077 55.936 56.100 -0.145 0.000 1.054 64 R CB -0.112 29.996 30.300 -0.320 0.000 0.985 64 R HN 0.317 nan 8.270 nan 0.000 0.489 65 L N 0.968 122.210 121.223 0.032 0.000 2.081 65 L HA -0.145 4.195 4.340 0.001 0.000 0.212 65 L C -0.695 176.178 176.870 0.005 0.000 1.080 65 L CA 1.421 56.311 54.840 0.083 0.000 0.754 65 L CB -1.147 40.964 42.059 0.086 0.000 0.893 65 L HN 0.079 nan 8.230 nan 0.000 0.433 66 P HA -0.156 nan 4.420 nan 0.000 0.223 66 P C 1.384 178.636 177.300 -0.079 0.000 1.144 66 P CA 1.274 64.342 63.100 -0.054 0.000 0.783 66 P CB 0.045 31.704 31.700 -0.068 0.000 0.771 67 L N -1.823 119.328 121.223 -0.120 0.000 2.607 67 L HA 0.092 4.432 4.340 0.001 0.000 0.228 67 L C 1.803 178.593 176.870 -0.132 0.000 1.123 67 L CA 0.203 54.951 54.840 -0.153 0.000 0.890 67 L CB -0.609 41.315 42.059 -0.225 0.000 1.103 67 L HN -0.090 nan 8.230 nan 0.000 0.468 68 D N 1.029 121.393 120.400 -0.060 0.000 2.158 68 D HA -0.240 4.401 4.640 0.001 0.000 0.197 68 D C 1.486 177.788 176.300 0.003 0.000 0.995 68 D CA 1.343 55.361 54.000 0.031 0.000 0.846 68 D CB 0.223 41.093 40.800 0.118 0.000 0.941 68 D HN 0.172 nan 8.370 nan 0.000 0.456 69 D N -1.200 119.189 120.400 -0.019 0.000 2.392 69 D HA -0.066 4.574 4.640 0.001 0.000 0.228 69 D C 1.610 177.886 176.300 -0.040 0.000 1.003 69 D CA 1.080 55.068 54.000 -0.022 0.000 0.917 69 D CB -0.140 40.647 40.800 -0.021 0.000 0.890 69 D HN 0.420 nan 8.370 nan 0.000 0.532 70 T N -3.027 111.486 114.554 -0.068 0.000 3.054 70 T HA 0.419 4.769 4.350 0.001 0.000 0.255 70 T C 0.897 175.511 174.700 -0.142 0.000 1.035 70 T CA -0.208 61.837 62.100 -0.092 0.000 0.941 70 T CB 0.241 69.048 68.868 -0.101 0.000 1.026 70 T HN 0.030 nan 8.240 nan 0.000 0.533 71 A N 2.368 125.115 122.820 -0.121 0.000 2.587 71 A HA 0.315 4.636 4.320 0.001 0.000 0.233 71 A C 0.931 178.382 177.584 -0.221 0.000 1.049 71 A CA 0.136 52.083 52.037 -0.150 0.000 0.754 71 A CB -0.558 18.450 19.000 0.014 0.000 0.977 71 A HN 0.592 nan 8.150 nan 0.000 0.509 72 N N -0.940 117.483 118.700 -0.461 0.000 2.741 72 N HA -0.160 4.581 4.740 0.001 0.000 0.250 72 N C 0.113 175.361 175.510 -0.437 0.000 1.115 72 N CA 1.782 54.524 53.050 -0.512 0.000 0.724 72 N CB -1.965 36.524 38.487 0.003 0.000 1.090 72 N HN 1.394 nan 8.380 nan 0.000 0.558 73 T N -4.478 109.752 114.554 -0.541 0.000 2.883 73 T HA 0.652 5.002 4.350 0.001 0.000 0.296 73 T C -0.179 174.478 174.700 -0.072 0.000 1.117 73 T CA -0.773 61.234 62.100 -0.155 0.000 1.006 73 T CB 2.517 71.350 68.868 -0.059 0.000 1.191 73 T HN -0.125 nan 8.240 nan 0.000 0.508 74 V N 1.862 121.872 119.914 0.161 0.000 2.498 74 V HA 0.565 4.686 4.120 0.001 0.000 0.279 74 V C -0.182 176.018 176.094 0.177 0.000 1.048 74 V CA -0.420 62.047 62.300 0.278 0.000 0.967 74 V CB 1.105 33.143 31.823 0.358 0.000 0.988 74 V HN 0.825 nan 8.190 nan 0.000 0.473 75 V N 3.741 123.764 119.914 0.183 0.000 2.588 75 V HA 0.401 4.522 4.120 0.001 0.000 0.304 75 V C 0.084 176.276 176.094 0.163 0.000 1.042 75 V CA -0.467 61.908 62.300 0.125 0.000 0.877 75 V CB 2.223 34.083 31.823 0.061 0.000 0.996 75 V HN 0.858 nan 8.190 nan 0.000 0.425 76 S N 3.951 119.735 115.700 0.139 0.000 2.499 76 S HA 0.398 4.869 4.470 0.001 0.000 0.275 76 S C -0.618 174.098 174.600 0.193 0.000 1.257 76 S CA -0.272 58.011 58.200 0.138 0.000 1.050 76 S CB -0.039 63.215 63.200 0.091 0.000 0.937 76 S HN 0.873 nan 8.310 nan 0.000 0.490 77 H N 4.815 123.942 119.070 0.095 0.000 3.018 77 H HA 0.218 4.774 4.556 0.001 0.000 0.334 77 H C -0.483 174.948 175.328 0.173 0.000 0.983 77 H CA -0.398 55.713 56.048 0.105 0.000 1.363 77 H CB 0.375 30.202 29.762 0.107 0.000 1.668 77 H HN 0.845 nan 8.280 nan 0.000 0.513 78 N N 3.430 121.953 118.700 -0.296 0.000 2.716 78 N HA -0.188 4.552 4.740 0.001 0.000 0.250 78 N C 1.065 176.560 175.510 -0.025 0.000 1.033 78 N CA 1.599 54.536 53.050 -0.188 0.000 0.727 78 N CB -1.417 36.909 38.487 -0.268 0.000 0.950 78 N HN 1.065 nan 8.380 nan 0.000 0.541 79 G N -3.052 105.734 108.800 -0.024 0.000 2.162 79 G HA2 -0.299 3.661 3.960 0.001 0.000 0.260 79 G HA3 -0.299 3.661 3.960 0.001 0.000 0.260 79 G C -0.041 174.821 174.900 -0.064 0.000 0.976 79 G CA 0.403 45.484 45.100 -0.033 0.000 0.655 79 G HN 0.532 nan 8.290 nan 0.000 0.533 80 V N 1.165 121.047 119.914 -0.053 0.000 2.555 80 V HA 0.455 4.575 4.120 0.001 0.000 0.302 80 V C -0.545 175.526 176.094 -0.039 0.000 1.038 80 V CA -1.154 61.050 62.300 -0.160 0.000 0.887 80 V CB 1.912 33.439 31.823 -0.492 0.000 0.991 80 V HN 0.221 nan 8.190 nan 0.000 0.434 81 D N 3.110 123.453 120.400 -0.096 0.000 2.325 81 D HA 0.296 4.936 4.640 0.001 0.000 0.251 81 D C -0.403 175.971 176.300 0.122 0.000 1.196 81 D CA 0.074 54.085 54.000 0.019 0.000 0.866 81 D CB 1.194 41.942 40.800 -0.086 0.000 1.101 81 D HN 0.475 nan 8.370 nan 0.000 0.476 82 C N 2.851 122.334 119.300 0.304 0.000 2.411 82 C HA 0.510 4.970 4.460 0.001 0.000 0.330 82 C C -0.283 174.999 174.990 0.487 0.000 1.224 82 C CA -0.853 58.385 59.018 0.366 0.000 1.770 82 C CB 0.070 27.948 27.740 0.230 0.000 2.297 82 C HN 0.607 nan 8.230 nan 0.000 0.507 83 Y N 2.353 122.829 120.300 0.294 0.000 2.332 83 Y HA 0.565 5.115 4.550 0.001 0.000 0.325 83 Y C -0.924 174.882 175.900 -0.156 0.000 1.054 83 Y CA -0.808 57.319 58.100 0.046 0.000 1.119 83 Y CB 0.862 39.292 38.460 -0.050 0.000 1.168 83 Y HN 0.641 nan 8.280 nan 0.000 0.439 84 L N 7.621 128.667 121.223 -0.294 0.000 2.270 84 L HA 0.339 4.679 4.340 0.001 0.000 0.286 84 L C -1.194 175.527 176.870 -0.249 0.000 1.059 84 L CA -0.454 54.229 54.840 -0.261 0.000 0.839 84 L CB -0.076 41.787 42.059 -0.327 0.000 1.221 84 L HN 0.695 nan 8.230 nan 0.000 0.431 85 W N 6.878 128.012 121.300 -0.277 0.000 2.356 85 W HA 0.339 5.000 4.660 0.001 0.000 0.311 85 W C -0.202 176.408 176.519 0.152 0.000 1.328 85 W CA -0.644 56.685 57.345 -0.026 0.000 1.251 85 W CB 0.269 29.749 29.460 0.032 0.000 1.280 85 W HN 0.558 nan 8.180 nan 0.000 0.524 86 R N 5.305 125.918 120.500 0.188 0.000 2.360 86 R HA 0.381 4.722 4.340 0.001 0.000 0.318 86 R C -0.008 176.220 176.300 -0.120 0.000 0.950 86 R CA -0.171 55.964 56.100 0.058 0.000 0.837 86 R CB 0.942 31.347 30.300 0.176 0.000 1.165 86 R HN 0.578 nan 8.270 nan 0.000 0.458 87 T N -0.118 114.270 114.554 -0.277 0.000 2.893 87 T HA 0.248 4.599 4.350 0.001 0.000 0.279 87 T C 1.152 175.795 174.700 -0.094 0.000 0.991 87 T CA -0.603 61.394 62.100 -0.171 0.000 0.950 87 T CB 1.458 70.201 68.868 -0.208 0.000 1.223 87 T HN 0.400 nan 8.240 nan 0.000 0.585 88 T N 0.397 114.928 114.554 -0.037 0.000 2.732 88 T HA 0.144 4.494 4.350 0.001 0.000 0.261 88 T C 1.044 175.694 174.700 -0.083 0.000 1.040 88 T CA 1.191 63.261 62.100 -0.050 0.000 1.145 88 T CB -0.393 68.462 68.868 -0.021 0.000 0.866 88 T HN 0.826 nan 8.240 nan 0.000 0.427 89 V N 0.402 120.269 119.914 -0.079 0.000 3.074 89 V HA 0.708 4.828 4.120 0.001 0.000 0.314 89 V C -0.947 175.068 176.094 -0.131 0.000 1.117 89 V CA -1.326 60.895 62.300 -0.130 0.000 1.014 89 V CB 2.100 33.833 31.823 -0.150 0.000 1.057 89 V HN 0.593 nan 8.190 nan 0.000 0.438 90 H N 0.226 119.153 119.070 -0.239 0.000 2.747 90 H HA 0.732 5.288 4.556 0.001 0.000 0.371 90 H C -3.071 172.043 175.328 -0.358 0.000 1.161 90 H CA -2.553 53.229 56.048 -0.444 0.000 1.167 90 H CB 2.057 31.556 29.762 -0.439 0.000 1.732 90 H HN 0.573 nan 8.280 nan 0.000 0.544 91 P HA 0.228 nan 4.420 nan 0.000 0.277 91 P C -0.912 176.111 177.300 -0.462 0.000 1.240 91 P CA -0.074 62.491 63.100 -0.891 0.000 0.798 91 P CB 0.744 31.340 31.700 -1.840 0.000 0.979 92 F N -1.491 118.199 119.950 -0.433 0.000 2.741 92 F HA 0.495 5.023 4.527 0.001 0.000 0.313 92 F C -0.844 175.055 175.800 0.165 0.000 1.153 92 F CA -1.433 56.576 58.000 0.014 0.000 0.931 92 F CB 0.724 39.699 39.000 -0.042 0.000 1.335 92 F HN 0.049 nan 8.300 nan 0.000 0.460 93 N N 1.110 119.989 118.700 0.298 0.000 2.401 93 N HA 0.155 4.895 4.740 0.001 0.000 0.255 93 N C 0.829 176.401 175.510 0.103 0.000 1.110 93 N CA 0.503 53.638 53.050 0.141 0.000 0.949 93 N CB 1.336 39.923 38.487 0.165 0.000 1.110 93 N HN 0.869 nan 8.380 nan 0.000 0.490 94 T N 1.019 115.496 114.554 -0.128 0.000 3.055 94 T HA 0.024 4.375 4.350 0.001 0.000 0.265 94 T C 0.748 175.433 174.700 -0.025 0.000 1.111 94 T CA 0.277 62.322 62.100 -0.091 0.000 1.118 94 T CB -0.149 68.538 68.868 -0.302 0.000 0.909 94 T HN 0.722 nan 8.240 nan 0.000 0.501 95 R N -0.172 120.313 120.500 -0.025 0.000 3.875 95 R HA -0.120 4.221 4.340 0.001 0.000 0.321 95 R C -0.822 175.462 176.300 -0.028 0.000 1.196 95 R CA 0.580 56.680 56.100 0.001 0.000 0.868 95 R CB -1.588 28.740 30.300 0.047 0.000 1.333 95 R HN 0.433 nan 8.270 nan 0.000 0.522 96 R N -0.185 120.236 120.500 -0.131 0.000 2.360 96 R HA 0.163 4.503 4.340 0.001 0.000 0.318 96 R C 1.236 177.387 176.300 -0.248 0.000 0.950 96 R CA 0.289 56.268 56.100 -0.203 0.000 0.837 96 R CB 1.390 31.383 30.300 -0.511 0.000 1.165 96 R HN 0.192 nan 8.270 nan 0.000 0.458 97 S N 3.109 118.782 115.700 -0.044 0.000 2.419 97 S HA -0.150 4.321 4.470 0.001 0.000 0.233 97 S C 1.462 176.080 174.600 0.031 0.000 1.016 97 S CA 0.759 58.963 58.200 0.006 0.000 0.974 97 S CB -0.262 62.984 63.200 0.078 0.000 0.786 97 S HN 0.853 nan 8.310 nan 0.000 0.492 98 W N 1.208 122.511 121.300 0.005 0.000 2.595 98 W HA 0.284 4.944 4.660 0.001 0.000 0.257 98 W C 1.024 177.540 176.519 -0.006 0.000 1.267 98 W CA -0.166 57.179 57.345 0.001 0.000 1.300 98 W CB -0.794 28.666 29.460 0.000 0.000 1.120 98 W HN 0.269 nan 8.180 nan 0.000 0.618 99 L N 1.365 122.195 121.223 -0.655 0.000 2.612 99 L HA 0.120 4.460 4.340 0.001 0.000 0.230 99 L C 2.638 179.335 176.870 -0.288 0.000 1.140 99 L CA -0.054 54.423 54.840 -0.604 0.000 0.896 99 L CB -0.335 41.187 42.059 -0.895 0.000 1.065 99 L HN -0.207 nan 8.230 nan 0.000 0.447 100 R N 0.586 120.987 120.500 -0.164 0.000 2.096 100 R HA -0.130 4.211 4.340 0.001 0.000 0.235 100 R C -0.451 175.833 176.300 -0.026 0.000 1.127 100 R CA 1.349 57.405 56.100 -0.073 0.000 0.968 100 R CB -1.658 28.626 30.300 -0.026 0.000 0.861 100 R HN 0.355 nan 8.270 nan 0.000 0.440 101 P HA -0.043 nan 4.420 nan 0.000 0.219 101 P C 1.611 178.903 177.300 -0.014 0.000 1.150 101 P CA 0.742 63.849 63.100 0.011 0.000 0.814 101 P CB -0.008 31.707 31.700 0.024 0.000 0.787 102 V N 0.291 120.165 119.914 -0.066 0.000 2.270 102 V HA -0.240 3.880 4.120 0.001 0.000 0.245 102 V C 2.308 178.326 176.094 -0.126 0.000 1.043 102 V CA 1.815 64.048 62.300 -0.111 0.000 1.014 102 V CB -1.185 30.538 31.823 -0.167 0.000 0.645 102 V HN 0.148 nan 8.190 nan 0.000 0.447 103 E N 0.198 120.319 120.200 -0.131 0.000 2.033 103 E HA -0.293 4.057 4.350 0.001 0.000 0.199 103 E C 2.000 178.679 176.600 0.132 0.000 1.011 103 E CA 1.820 58.192 56.400 -0.045 0.000 0.815 103 E CB -0.299 29.412 29.700 0.020 0.000 0.755 103 E HN 0.587 nan 8.360 nan 0.000 0.451 104 D N 0.150 120.624 120.400 0.124 0.000 2.149 104 D HA -0.162 4.479 4.640 0.001 0.000 0.198 104 D C 1.803 178.158 176.300 0.092 0.000 0.990 104 D CA 1.383 55.486 54.000 0.172 0.000 0.839 104 D CB -0.331 40.588 40.800 0.200 0.000 0.948 104 D HN 0.218 nan 8.370 nan 0.000 0.460 105 A N 0.383 123.236 122.820 0.056 0.000 1.898 105 A HA -0.139 4.182 4.320 0.001 0.000 0.216 105 A C 2.262 179.876 177.584 0.050 0.000 1.181 105 A CA 1.252 53.324 52.037 0.057 0.000 0.620 105 A CB -0.514 18.488 19.000 0.005 0.000 0.819 105 A HN 0.142 nan 8.150 nan 0.000 0.442 106 M N -1.898 117.665 119.600 -0.061 0.000 2.117 106 M HA -0.108 4.372 4.480 0.001 0.000 0.262 106 M C 1.999 178.220 176.300 -0.132 0.000 1.065 106 M CA 1.588 56.804 55.300 -0.140 0.000 1.114 106 M CB -0.457 31.940 32.600 -0.338 0.000 1.361 106 M HN 0.467 nan 8.290 nan 0.000 0.408 107 F N 0.059 119.868 119.950 -0.234 0.000 2.146 107 F HA -0.138 4.389 4.527 0.001 0.000 0.298 107 F C 2.570 178.179 175.800 -0.319 0.000 1.096 107 F CA 1.419 59.161 58.000 -0.430 0.000 1.275 107 F CB -0.453 37.833 39.000 -1.190 0.000 1.008 107 F HN 0.007 nan 8.300 nan 0.000 0.480 108 R N -0.652 119.800 120.500 -0.080 0.000 2.091 108 R HA -0.247 4.093 4.340 0.001 0.000 0.238 108 R C 2.282 178.726 176.300 0.240 0.000 1.136 108 R CA 1.675 57.846 56.100 0.120 0.000 0.959 108 R CB -0.821 29.596 30.300 0.194 0.000 0.856 108 R HN 0.458 nan 8.270 nan 0.000 0.437 109 W N 0.407 121.778 121.300 0.119 0.000 2.355 109 W HA -0.267 4.393 4.660 0.001 0.000 0.309 109 W C 1.829 178.588 176.519 0.399 0.000 1.206 109 W CA 1.291 58.786 57.345 0.250 0.000 1.284 109 W CB -0.464 29.077 29.460 0.135 0.000 1.145 109 W HN 0.098 nan 8.180 nan 0.000 0.502 110 Y N 1.368 121.870 120.300 0.337 0.000 2.097 110 Y HA -0.246 4.304 4.550 0.001 0.000 0.282 110 Y C 2.631 178.760 175.900 0.382 0.000 1.152 110 Y CA 2.954 61.257 58.100 0.338 0.000 1.136 110 Y CB -1.085 37.500 38.460 0.209 0.000 0.975 110 Y HN -0.044 nan 8.280 nan 0.000 0.498 111 A N -0.288 122.630 122.820 0.165 0.000 2.015 111 A HA 0.001 4.321 4.320 0.001 0.000 0.219 111 A C 2.274 179.841 177.584 -0.027 0.000 1.163 111 A CA 1.545 53.484 52.037 -0.163 0.000 0.646 111 A CB -1.218 17.662 19.000 -0.199 0.000 0.806 111 A HN 0.518 nan 8.150 nan 0.000 0.448 112 A N -1.555 121.248 122.820 -0.028 0.000 2.208 112 A HA 0.133 4.454 4.320 0.001 0.000 0.209 112 A C 0.782 178.074 177.584 -0.486 0.000 1.161 112 A CA 0.671 52.559 52.037 -0.248 0.000 0.782 112 A CB -0.415 18.379 19.000 -0.343 0.000 0.816 112 A HN 0.594 nan 8.150 nan 0.000 0.477 113 H N 0.034 119.060 119.070 -0.075 0.000 2.500 113 H HA 0.257 4.813 4.556 0.001 0.000 0.243 113 H C -2.634 172.746 175.328 0.086 0.000 1.318 113 H CA -1.700 54.324 56.048 -0.039 0.000 1.077 113 H CB 0.178 29.884 29.762 -0.093 0.000 1.748 113 H HN 0.325 nan 8.280 nan 0.000 0.556 114 P HA 0.105 nan 4.420 nan 0.000 0.271 114 P C -2.542 174.557 177.300 -0.334 0.000 1.218 114 P CA -1.311 61.619 63.100 -0.283 0.000 0.780 114 P CB 1.251 32.803 31.700 -0.247 0.000 0.901 115 P HA 0.149 nan 4.420 nan 0.000 0.276 115 P C 0.914 177.987 177.300 -0.378 0.000 1.244 115 P CA -0.416 62.460 63.100 -0.373 0.000 0.801 115 P CB 1.170 32.603 31.700 -0.445 0.000 1.006 116 K N 0.880 121.129 120.400 -0.251 0.000 2.113 116 K HA -0.275 4.045 4.320 0.001 0.000 0.208 116 K C 2.004 178.380 176.600 -0.373 0.000 1.047 116 K CA 1.764 57.902 56.287 -0.248 0.000 0.928 116 K CB -0.150 32.254 32.500 -0.160 0.000 0.716 116 K HN 0.260 nan 8.250 nan 0.000 0.446 117 Q N 0.799 120.299 119.800 -0.500 0.000 2.124 117 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 117 Q C 1.881 177.347 176.000 -0.891 0.000 0.977 117 Q CA 1.372 56.702 55.803 -0.788 0.000 0.850 117 Q CB -0.299 27.756 28.738 -1.137 0.000 0.901 117 Q HN 0.367 nan 8.270 nan 0.000 0.429 118 L N -0.464 120.249 121.223 -0.850 0.000 2.027 118 L HA -0.086 4.255 4.340 0.001 0.000 0.206 118 L C 1.934 178.487 176.870 -0.528 0.000 1.074 118 L CA 1.656 55.929 54.840 -0.945 0.000 0.745 118 L CB -0.654 40.588 42.059 -1.363 0.000 0.898 118 L HN 0.361 nan 8.230 nan 0.000 0.433 119 L N -0.612 120.360 121.223 -0.418 0.000 2.012 119 L HA -0.234 4.106 4.340 0.001 0.000 0.210 119 L C 2.312 179.080 176.870 -0.171 0.000 1.073 119 L CA 1.467 56.160 54.840 -0.246 0.000 0.748 119 L CB -0.994 40.943 42.059 -0.203 0.000 0.891 119 L HN 0.275 nan 8.230 nan 0.000 0.431 120 D N -0.722 119.561 120.400 -0.195 0.000 2.097 120 D HA -0.200 4.440 4.640 0.001 0.000 0.195 120 D C 1.987 178.316 176.300 0.048 0.000 0.989 120 D CA 1.140 55.081 54.000 -0.099 0.000 0.827 120 D CB -0.243 40.467 40.800 -0.151 0.000 0.966 120 D HN 0.309 nan 8.370 nan 0.000 0.456 121 W N 0.967 122.148 121.300 -0.198 0.000 2.358 121 W HA 0.024 4.684 4.660 0.001 0.000 0.303 121 W C 2.452 178.859 176.519 -0.187 0.000 1.208 121 W CA 0.359 57.594 57.345 -0.184 0.000 1.274 121 W CB -1.027 28.311 29.460 -0.204 0.000 1.138 121 W HN 0.042 nan 8.180 nan 0.000 0.515 122 M N -0.553 119.054 119.600 0.010 0.000 2.080 122 M HA -0.236 4.244 4.480 0.001 0.000 0.260 122 M C 2.291 178.571 176.300 -0.032 0.000 1.068 122 M CA 1.883 57.154 55.300 -0.049 0.000 1.109 122 M CB -0.736 31.818 32.600 -0.075 0.000 1.342 122 M HN -0.113 nan 8.290 nan 0.000 0.405 123 R N 0.630 121.114 120.500 -0.027 0.000 2.105 123 R HA -0.166 4.174 4.340 0.001 0.000 0.239 123 R C 1.652 177.937 176.300 -0.025 0.000 1.135 123 R CA 1.662 57.746 56.100 -0.026 0.000 0.967 123 R CB -0.078 30.205 30.300 -0.028 0.000 0.861 123 R HN 0.449 nan 8.270 nan 0.000 0.442 124 E N -0.070 120.125 120.200 -0.008 0.000 2.347 124 E HA -0.001 4.349 4.350 0.001 0.000 0.196 124 E C -0.058 176.495 176.600 -0.078 0.000 1.008 124 E CA 0.179 56.564 56.400 -0.026 0.000 0.852 124 E CB 0.328 30.036 29.700 0.014 0.000 0.783 124 E HN 0.173 nan 8.360 nan 0.000 0.505 125 S N 0.838 116.484 115.700 -0.091 0.000 2.601 125 S HA 0.068 4.538 4.470 0.001 0.000 0.271 125 S C 0.432 174.946 174.600 -0.143 0.000 1.305 125 S CA -0.599 57.513 58.200 -0.146 0.000 1.022 125 S CB 1.066 64.180 63.200 -0.145 0.000 0.940 125 S HN 0.124 nan 8.310 nan 0.000 0.525 126 D N 0.464 120.737 120.400 -0.212 0.000 2.338 126 D HA 0.121 4.762 4.640 0.001 0.000 0.208 126 D C -0.151 176.052 176.300 -0.161 0.000 0.997 126 D CA 0.859 54.746 54.000 -0.189 0.000 0.880 126 D CB 0.509 41.158 40.800 -0.252 0.000 0.980 126 D HN 0.200 nan 8.370 nan 0.000 0.509 127 V N 1.834 121.626 119.914 -0.203 0.000 2.623 127 V HA 0.370 4.491 4.120 0.001 0.000 0.304 127 V C -0.502 175.555 176.094 -0.061 0.000 1.054 127 V CA -0.691 61.563 62.300 -0.077 0.000 0.882 127 V CB 2.684 34.510 31.823 0.004 0.000 1.002 127 V HN -0.098 nan 8.190 nan 0.000 0.424 128 I N 4.524 125.063 120.570 -0.051 0.000 2.389 128 I HA 0.526 4.697 4.170 0.001 0.000 0.288 128 I C -0.629 175.331 176.117 -0.260 0.000 0.999 128 I CA -0.908 60.260 61.300 -0.220 0.000 1.129 128 I CB 2.079 39.899 38.000 -0.300 0.000 1.288 128 I HN 0.268 nan 8.210 nan 0.000 0.444 129 V N 6.816 126.528 119.914 -0.336 0.000 2.370 129 V HA 0.391 4.511 4.120 0.001 0.000 0.283 129 V C -0.536 175.345 176.094 -0.356 0.000 1.023 129 V CA -0.443 61.738 62.300 -0.198 0.000 0.857 129 V CB 1.026 32.775 31.823 -0.123 0.000 0.985 129 V HN 0.378 nan 8.190 nan 0.000 0.443 130 F N 2.608 122.586 119.950 0.047 0.000 2.411 130 F HA 0.454 4.982 4.527 0.001 0.000 0.352 130 F C 0.538 176.281 175.800 -0.095 0.000 1.123 130 F CA -0.515 57.522 58.000 0.062 0.000 1.044 130 F CB 1.267 40.415 39.000 0.246 0.000 1.135 130 F HN 0.481 nan 8.300 nan 0.000 0.461 131 E N 1.998 122.219 120.200 0.036 0.000 2.366 131 E HA 0.231 4.581 4.350 0.001 0.000 0.266 131 E C -0.270 176.234 176.600 -0.159 0.000 1.051 131 E CA -0.629 55.714 56.400 -0.094 0.000 0.884 131 E CB 0.906 30.619 29.700 0.021 0.000 1.006 131 E HN 0.679 nan 8.360 nan 0.000 0.417 132 S N 2.266 117.725 115.700 -0.402 0.000 2.593 132 S HA 0.367 4.837 4.470 0.001 0.000 0.300 132 S C 0.665 175.288 174.600 0.038 0.000 1.267 132 S CA -0.037 58.025 58.200 -0.230 0.000 1.065 132 S CB 0.543 63.638 63.200 -0.175 0.000 0.807 132 S HN 0.957 nan 8.310 nan 0.000 0.499 133 G N 2.201 111.077 108.800 0.127 0.000 2.255 133 G HA2 -0.072 3.888 3.960 0.001 0.000 0.216 133 G HA3 -0.072 3.888 3.960 0.001 0.000 0.216 133 G C 0.206 175.273 174.900 0.279 0.000 1.307 133 G CA -0.227 44.982 45.100 0.183 0.000 1.162 133 G HN 1.163 nan 8.290 nan 0.000 0.494 134 I N 1.806 122.582 120.570 0.343 0.000 2.315 134 I HA 0.053 4.223 4.170 0.001 0.000 0.251 134 I C 2.987 179.462 176.117 0.597 0.000 1.125 134 I CA 2.920 64.514 61.300 0.490 0.000 1.392 134 I CB -0.576 37.736 38.000 0.521 0.000 1.065 134 I HN 1.197 nan 8.210 nan 0.000 0.424 135 A N -0.395 122.746 122.820 0.536 0.000 2.032 135 A HA -0.194 4.126 4.320 0.001 0.000 0.221 135 A C 2.382 180.348 177.584 0.636 0.000 1.165 135 A CA 1.917 54.343 52.037 0.649 0.000 0.645 135 A CB -1.314 18.005 19.000 0.531 0.000 0.807 135 A HN 0.353 nan 8.150 nan 0.000 0.453 136 V N -0.267 119.921 119.914 0.457 0.000 2.317 136 V HA -0.350 3.771 4.120 0.001 0.000 0.251 136 V C 2.925 179.157 176.094 0.230 0.000 1.065 136 V CA 2.043 64.524 62.300 0.301 0.000 1.049 136 V CB -1.118 30.852 31.823 0.244 0.000 0.651 136 V HN 0.650 nan 8.190 nan 0.000 0.450 137 A N -1.597 121.405 122.820 0.304 0.000 2.225 137 A HA -0.066 4.254 4.320 0.001 0.000 0.215 137 A C 1.650 179.065 177.584 -0.282 0.000 1.164 137 A CA 1.318 53.416 52.037 0.101 0.000 0.710 137 A CB -0.542 18.560 19.000 0.169 0.000 0.780 137 A HN 0.577 nan 8.150 nan 0.000 0.473 138 F N -1.683 118.426 119.950 0.264 0.000 2.688 138 F HA 0.343 4.870 4.527 0.001 0.000 0.310 138 F C 1.475 177.380 175.800 0.176 0.000 1.098 138 F CA -0.437 57.700 58.000 0.228 0.000 1.228 138 F CB 0.029 39.193 39.000 0.273 0.000 1.042 138 F HN 0.082 nan 8.300 nan 0.000 0.557 139 I N -0.040 120.541 120.570 0.018 0.000 2.202 139 I HA -0.219 3.951 4.170 0.001 0.000 0.242 139 I C 2.577 178.649 176.117 -0.075 0.000 1.091 139 I CA 1.307 62.407 61.300 -0.333 0.000 1.368 139 I CB -0.087 37.592 38.000 -0.535 0.000 1.058 139 I HN 0.038 nan 8.210 nan 0.000 0.410 140 E N 1.254 121.428 120.200 -0.043 0.000 2.077 140 E HA -0.247 4.104 4.350 0.001 0.000 0.193 140 E C 1.995 178.610 176.600 0.024 0.000 0.989 140 E CA 1.302 57.690 56.400 -0.020 0.000 0.800 140 E CB -0.378 29.303 29.700 -0.032 0.000 0.746 140 E HN 0.300 nan 8.360 nan 0.000 0.452 141 L N 0.374 121.634 121.223 0.060 0.000 2.013 141 L HA -0.146 4.194 4.340 0.001 0.000 0.212 141 L C 2.201 179.127 176.870 0.093 0.000 1.073 141 L CA 2.498 57.386 54.840 0.080 0.000 0.753 141 L CB -1.144 41.003 42.059 0.145 0.000 0.890 141 L HN 0.168 nan 8.230 nan 0.000 0.432 142 A N -0.673 122.249 122.820 0.171 0.000 1.908 142 A HA -0.225 4.095 4.320 0.001 0.000 0.218 142 A C 2.242 179.894 177.584 0.114 0.000 1.181 142 A CA 1.930 54.080 52.037 0.187 0.000 0.627 142 A CB -0.573 18.688 19.000 0.435 0.000 0.818 142 A HN 0.433 nan 8.150 nan 0.000 0.445 143 K N -0.154 120.299 120.400 0.088 0.000 2.097 143 K HA -0.095 4.225 4.320 0.001 0.000 0.206 143 K C 2.090 178.704 176.600 0.024 0.000 1.049 143 K CA 1.431 57.745 56.287 0.047 0.000 0.933 143 K CB -0.400 32.110 32.500 0.018 0.000 0.717 143 K HN 0.553 nan 8.250 nan 0.000 0.442 144 R N 0.239 120.750 120.500 0.018 0.000 2.073 144 R HA -0.017 4.324 4.340 0.001 0.000 0.229 144 R C 2.329 178.627 176.300 -0.002 0.000 1.120 144 R CA 0.917 57.018 56.100 0.002 0.000 0.967 144 R CB -0.284 30.013 30.300 -0.005 0.000 0.862 144 R HN -0.055 nan 8.270 nan 0.000 0.436 145 V N 0.942 120.857 119.914 0.002 0.000 2.453 145 V HA -0.092 4.029 4.120 0.001 0.000 0.247 145 V C 0.659 176.748 176.094 -0.009 0.000 1.048 145 V CA 1.073 63.366 62.300 -0.011 0.000 1.049 145 V CB -0.345 31.465 31.823 -0.021 0.000 0.672 145 V HN 0.309 nan 8.190 nan 0.000 0.457 146 N N -0.309 118.394 118.700 0.006 0.000 2.751 146 N HA 0.190 4.931 4.740 0.001 0.000 0.238 146 N C -2.155 173.363 175.510 0.015 0.000 1.351 146 N CA -1.270 51.781 53.050 0.003 0.000 0.751 146 N CB 1.575 40.060 38.487 -0.004 0.000 1.342 146 N HN 0.055 nan 8.380 nan 0.000 0.540 147 P HA -0.013 nan 4.420 nan 0.000 0.226 147 P C 0.885 178.192 177.300 0.011 0.000 1.153 147 P CA 0.548 63.655 63.100 0.012 0.000 0.777 147 P CB 0.397 32.099 31.700 0.003 0.000 0.794 148 A N 0.068 122.890 122.820 0.003 0.000 2.067 148 A HA 0.303 4.623 4.320 0.001 0.000 0.217 148 A C 1.476 179.060 177.584 -0.000 0.000 1.156 148 A CA 0.480 52.515 52.037 -0.003 0.000 0.683 148 A CB -0.951 18.040 19.000 -0.014 0.000 0.808 148 A HN 0.282 nan 8.150 nan 0.000 0.455 149 A N 0.325 123.149 122.820 0.006 0.000 2.462 149 A HA 0.391 4.712 4.320 0.001 0.000 0.243 149 A C 0.407 178.014 177.584 0.039 0.000 1.076 149 A CA -0.234 51.807 52.037 0.006 0.000 0.773 149 A CB -0.034 18.972 19.000 0.010 0.000 1.010 149 A HN 0.401 nan 8.150 nan 0.000 0.493 150 K N 2.556 122.975 120.400 0.033 0.000 2.349 150 K HA 0.354 4.675 4.320 0.001 0.000 0.288 150 K C -1.005 175.671 176.600 0.127 0.000 1.058 150 K CA 0.017 56.346 56.287 0.069 0.000 0.953 150 K CB 0.053 32.586 32.500 0.054 0.000 0.997 150 K HN 0.647 nan 8.250 nan 0.000 0.477 151 L N 5.419 126.752 121.223 0.183 0.000 2.265 151 L HA 0.356 4.696 4.340 0.001 0.000 0.289 151 L C -0.733 176.336 176.870 0.332 0.000 1.033 151 L CA -1.071 53.967 54.840 0.329 0.000 0.814 151 L CB 1.452 43.713 42.059 0.337 0.000 1.203 151 L HN 0.332 nan 8.230 nan 0.000 0.423 152 V N 3.653 123.798 119.914 0.385 0.000 2.409 152 V HA 0.264 4.384 4.120 0.001 0.000 0.291 152 V C -0.859 175.516 176.094 0.469 0.000 1.020 152 V CA -0.679 61.824 62.300 0.338 0.000 0.848 152 V CB 1.814 33.760 31.823 0.205 0.000 0.990 152 V HN 0.462 nan 8.190 nan 0.000 0.430 153 Y N 5.486 125.974 120.300 0.314 0.000 2.335 153 Y HA 0.591 5.141 4.550 0.001 0.000 0.339 153 Y C 0.297 176.333 175.900 0.226 0.000 0.987 153 Y CA -0.552 57.733 58.100 0.309 0.000 1.140 153 Y CB 0.806 39.452 38.460 0.311 0.000 1.173 153 Y HN 0.503 nan 8.280 nan 0.000 0.486 154 R N 5.378 125.777 120.500 -0.167 0.000 2.215 154 R HA 0.471 4.812 4.340 0.001 0.000 0.337 154 R C -1.089 175.004 176.300 -0.345 0.000 1.010 154 R CA -0.345 55.680 56.100 -0.125 0.000 0.871 154 R CB 0.437 30.718 30.300 -0.030 0.000 1.134 154 R HN 0.837 nan 8.270 nan 0.000 0.477 155 A N 3.612 126.329 122.820 -0.172 0.000 2.922 155 A HA 0.174 4.494 4.320 0.001 0.000 0.298 155 A C 0.980 178.508 177.584 -0.093 0.000 1.588 155 A CA -0.152 51.798 52.037 -0.146 0.000 1.288 155 A CB 0.031 19.095 19.000 0.107 0.000 1.130 155 A HN 0.803 nan 8.150 nan 0.000 0.557 156 S N 0.949 116.614 115.700 -0.058 0.000 2.402 156 S HA -0.031 4.439 4.470 0.001 0.000 0.229 156 S C 0.570 175.178 174.600 0.013 0.000 1.021 156 S CA 0.991 59.230 58.200 0.065 0.000 0.974 156 S CB -0.026 63.266 63.200 0.153 0.000 0.800 156 S HN 0.790 nan 8.310 nan 0.000 0.484 157 D N -1.190 119.183 120.400 -0.046 0.000 2.570 157 D HA 0.432 5.072 4.640 0.001 0.000 0.244 157 D C -0.276 175.972 176.300 -0.087 0.000 1.178 157 D CA -0.415 53.561 54.000 -0.041 0.000 0.881 157 D CB 1.890 42.795 40.800 0.176 0.000 1.453 157 D HN 0.201 nan 8.370 nan 0.000 0.447 158 G N 0.467 109.267 108.800 0.000 0.000 2.415 158 G HA2 0.340 4.300 3.960 0.001 0.000 0.269 158 G HA3 0.340 4.300 3.960 0.001 0.000 0.269 158 G C 1.340 176.318 174.900 0.131 0.000 1.209 158 G CA -0.366 44.796 45.100 0.104 0.000 0.835 158 G HN 0.418 nan 8.290 nan 0.000 0.534 159 L N 1.882 123.146 121.223 0.069 0.000 2.042 159 L HA -0.181 4.159 4.340 0.001 0.000 0.210 159 L C 3.175 180.099 176.870 0.090 0.000 1.076 159 L CA 1.865 56.740 54.840 0.057 0.000 0.749 159 L CB -0.427 41.633 42.059 0.002 0.000 0.893 159 L HN 0.705 nan 8.230 nan 0.000 0.432 160 S N -1.832 113.930 115.700 0.102 0.000 2.423 160 S HA -0.150 4.320 4.470 0.001 0.000 0.231 160 S C 1.872 176.533 174.600 0.100 0.000 1.014 160 S CA 1.504 59.761 58.200 0.094 0.000 0.965 160 S CB -0.617 62.636 63.200 0.087 0.000 0.785 160 S HN 0.351 nan 8.310 nan 0.000 0.495 161 T N 3.512 118.149 114.554 0.137 0.000 2.812 161 T HA 0.140 4.490 4.350 0.001 0.000 0.264 161 T C 1.728 176.495 174.700 0.112 0.000 1.042 161 T CA 1.387 63.560 62.100 0.121 0.000 1.140 161 T CB -0.537 68.441 68.868 0.183 0.000 0.870 161 T HN 0.744 nan 8.240 nan 0.000 0.445 162 I N -0.615 120.034 120.570 0.131 0.000 3.564 162 I HA 0.216 4.387 4.170 0.001 0.000 0.294 162 I C 0.468 176.649 176.117 0.107 0.000 1.289 162 I CA 0.069 61.440 61.300 0.118 0.000 1.325 162 I CB -0.621 37.455 38.000 0.127 0.000 1.039 162 I HN 0.060 nan 8.210 nan 0.000 0.474 163 N N 1.941 120.700 118.700 0.098 0.000 2.727 163 N HA -0.148 4.592 4.740 0.001 0.000 0.251 163 N C -0.059 175.513 175.510 0.104 0.000 1.040 163 N CA 0.855 53.959 53.050 0.090 0.000 0.712 163 N CB -1.490 37.047 38.487 0.084 0.000 0.912 163 N HN 0.566 nan 8.380 nan 0.000 0.545 164 V N -1.848 118.126 119.914 0.100 0.000 3.096 164 V HA 0.701 4.821 4.120 0.001 0.000 0.306 164 V C 1.322 177.455 176.094 0.065 0.000 1.088 164 V CA -0.516 61.848 62.300 0.107 0.000 1.129 164 V CB 0.784 32.659 31.823 0.088 0.000 1.014 164 V HN 0.545 nan 8.190 nan 0.000 0.486 165 A N 2.603 125.454 122.820 0.051 0.000 2.466 165 A HA 0.320 4.641 4.320 0.001 0.000 0.238 165 A C 1.774 179.303 177.584 -0.091 0.000 1.074 165 A CA 0.663 52.685 52.037 -0.024 0.000 0.774 165 A CB 0.019 18.987 19.000 -0.052 0.000 1.015 165 A HN 1.645 nan 8.150 nan 0.000 0.498 166 S N 0.683 116.352 115.700 -0.052 0.000 2.389 166 S HA -0.287 4.183 4.470 0.001 0.000 0.231 166 S C 1.728 176.275 174.600 -0.088 0.000 1.052 166 S CA 2.426 60.597 58.200 -0.048 0.000 1.053 166 S CB -0.744 62.443 63.200 -0.020 0.000 0.886 166 S HN 0.872 nan 8.310 nan 0.000 0.456 167 Y N 1.477 121.606 120.300 -0.284 0.000 2.151 167 Y HA -0.158 4.392 4.550 0.001 0.000 0.284 167 Y C 2.041 177.755 175.900 -0.310 0.000 1.166 167 Y CA 2.089 59.993 58.100 -0.327 0.000 1.163 167 Y CB -0.280 37.862 38.460 -0.531 0.000 0.974 167 Y HN 0.287 nan 8.280 nan 0.000 0.511 168 I N 0.644 121.085 120.570 -0.216 0.000 2.252 168 I HA -0.239 3.931 4.170 0.001 0.000 0.245 168 I C 2.220 178.304 176.117 -0.056 0.000 1.102 168 I CA 1.560 62.797 61.300 -0.104 0.000 1.385 168 I CB -1.322 36.648 38.000 -0.050 0.000 1.064 168 I HN 0.404 nan 8.210 nan 0.000 0.414 169 E N 0.627 120.799 120.200 -0.046 0.000 2.058 169 E HA -0.227 4.124 4.350 0.001 0.000 0.194 169 E C 2.335 178.926 176.600 -0.016 0.000 0.997 169 E CA 1.238 57.648 56.400 0.017 0.000 0.801 169 E CB -0.125 29.582 29.700 0.011 0.000 0.746 169 E HN 0.476 nan 8.360 nan 0.000 0.450 170 R N 0.528 120.959 120.500 -0.115 0.000 2.075 170 R HA -0.144 4.196 4.340 0.001 0.000 0.232 170 R C 2.359 178.532 176.300 -0.211 0.000 1.126 170 R CA 1.301 57.306 56.100 -0.159 0.000 0.963 170 R CB -0.176 30.012 30.300 -0.186 0.000 0.858 170 R HN 0.061 nan 8.270 nan 0.000 0.435 171 E N 0.743 120.758 120.200 -0.307 0.000 2.072 171 E HA -0.182 4.168 4.350 0.001 0.000 0.191 171 E C 1.546 178.072 176.600 -0.124 0.000 0.985 171 E CA 1.073 57.300 56.400 -0.288 0.000 0.801 171 E CB -0.266 29.197 29.700 -0.396 0.000 0.750 171 E HN 0.201 nan 8.360 nan 0.000 0.452 172 F N 1.581 121.409 119.950 -0.204 0.000 2.095 172 F HA -0.187 4.341 4.527 0.001 0.000 0.298 172 F C 1.644 177.321 175.800 -0.204 0.000 1.104 172 F CA 2.054 59.929 58.000 -0.208 0.000 1.232 172 F CB -0.523 38.367 39.000 -0.183 0.000 0.987 172 F HN 0.038 nan 8.300 nan 0.000 0.475 173 D N -0.095 120.162 120.400 -0.238 0.000 2.133 173 D HA -0.216 4.424 4.640 0.001 0.000 0.195 173 D C 2.427 178.544 176.300 -0.304 0.000 0.997 173 D CA 1.323 55.138 54.000 -0.308 0.000 0.840 173 D CB -0.481 40.223 40.800 -0.160 0.000 0.947 173 D HN 0.314 nan 8.370 nan 0.000 0.452 174 R N 0.584 120.941 120.500 -0.239 0.000 2.075 174 R HA -0.098 4.242 4.340 0.001 0.000 0.232 174 R C 2.161 178.327 176.300 -0.222 0.000 1.126 174 R CA 1.425 57.403 56.100 -0.204 0.000 0.963 174 R CB 0.036 30.232 30.300 -0.174 0.000 0.858 174 R HN 0.249 nan 8.270 nan 0.000 0.435 175 V N -2.586 117.176 119.914 -0.254 0.000 3.235 175 V HA 0.249 4.370 4.120 0.001 0.000 0.259 175 V C 2.087 177.992 176.094 -0.315 0.000 1.133 175 V CA 1.009 63.166 62.300 -0.238 0.000 1.128 175 V CB -0.086 31.623 31.823 -0.190 0.000 0.757 175 V HN 0.285 nan 8.190 nan 0.000 0.469 176 A N 1.532 124.044 122.820 -0.513 0.000 1.892 176 A HA -0.083 4.237 4.320 0.001 0.000 0.218 176 A C 0.676 178.055 177.584 -0.341 0.000 1.188 176 A CA 2.387 54.048 52.037 -0.626 0.000 0.631 176 A CB -2.009 16.365 19.000 -1.044 0.000 0.822 176 A HN 0.613 nan 8.150 nan 0.000 0.447 177 P HA -0.132 nan 4.420 nan 0.000 0.221 177 P C 1.604 178.831 177.300 -0.122 0.000 1.145 177 P CA 1.878 64.869 63.100 -0.181 0.000 0.795 177 P CB -0.258 31.342 31.700 -0.166 0.000 0.775 178 T N -3.836 110.643 114.554 -0.125 0.000 3.043 178 T HA 0.039 4.389 4.350 0.001 0.000 0.263 178 T C 0.752 175.428 174.700 -0.040 0.000 1.094 178 T CA 0.125 62.179 62.100 -0.077 0.000 1.127 178 T CB -0.967 67.851 68.868 -0.083 0.000 0.905 178 T HN -0.076 nan 8.240 nan 0.000 0.490 179 L N 2.404 123.599 121.223 -0.046 0.000 2.485 179 L HA 0.157 4.498 4.340 0.001 0.000 0.275 179 L C 1.402 178.322 176.870 0.084 0.000 1.207 179 L CA -0.320 54.539 54.840 0.033 0.000 0.855 179 L CB 0.463 42.553 42.059 0.051 0.000 1.114 179 L HN 0.152 nan 8.230 nan 0.000 0.485 180 D N 1.458 121.933 120.400 0.125 0.000 2.117 180 D HA -0.035 4.605 4.640 0.001 0.000 0.198 180 D C 0.141 176.571 176.300 0.216 0.000 0.982 180 D CA 1.397 55.482 54.000 0.142 0.000 0.828 180 D CB 0.397 41.269 40.800 0.121 0.000 0.967 180 D HN 0.183 nan 8.370 nan 0.000 0.464 181 V N 1.244 121.307 119.914 0.248 0.000 2.686 181 V HA 0.326 4.447 4.120 0.001 0.000 0.306 181 V C -0.437 175.882 176.094 0.375 0.000 1.065 181 V CA -0.621 61.882 62.300 0.338 0.000 0.894 181 V CB 2.702 34.653 31.823 0.213 0.000 1.004 181 V HN -0.092 nan 8.190 nan 0.000 0.424 182 I N 4.066 124.898 120.570 0.437 0.000 2.390 182 I HA 0.623 4.794 4.170 0.001 0.000 0.283 182 I C 0.360 176.745 176.117 0.447 0.000 1.016 182 I CA -0.403 61.159 61.300 0.437 0.000 1.151 182 I CB 1.617 39.806 38.000 0.315 0.000 1.293 182 I HN 0.695 nan 8.210 nan 0.000 0.458 183 A N 8.372 131.422 122.820 0.384 0.000 2.444 183 A HA 0.634 4.954 4.320 0.001 0.000 0.332 183 A C -0.314 177.406 177.584 0.227 0.000 1.430 183 A CA -0.440 51.774 52.037 0.296 0.000 0.975 183 A CB 0.067 19.188 19.000 0.202 0.000 1.147 183 A HN 0.676 nan 8.150 nan 0.000 0.524 184 L N 3.129 124.490 121.223 0.231 0.000 2.331 184 L HA 0.162 4.502 4.340 0.001 0.000 0.278 184 L C 1.416 178.356 176.870 0.116 0.000 1.106 184 L CA -0.635 54.293 54.840 0.146 0.000 0.824 184 L CB 1.298 43.433 42.059 0.126 0.000 1.142 184 L HN 0.482 nan 8.230 nan 0.000 0.443 185 V N 1.428 121.338 119.914 -0.008 0.000 2.490 185 V HA -0.164 3.956 4.120 0.001 0.000 0.250 185 V C 1.084 177.183 176.094 0.008 0.000 1.061 185 V CA 1.566 63.814 62.300 -0.086 0.000 1.064 185 V CB 0.060 31.712 31.823 -0.286 0.000 0.670 185 V HN 0.843 nan 8.190 nan 0.000 0.461 186 S N -1.969 113.692 115.700 -0.065 0.000 2.547 186 S HA 0.463 4.933 4.470 0.001 0.000 0.281 186 S C -2.298 172.165 174.600 -0.227 0.000 1.118 186 S CA -1.182 56.925 58.200 -0.154 0.000 0.947 186 S CB 2.104 65.296 63.200 -0.013 0.000 1.053 186 S HN 0.012 nan 8.310 nan 0.000 0.482 187 P HA 0.046 nan 4.420 nan 0.000 0.222 187 P C 1.107 178.347 177.300 -0.100 0.000 1.147 187 P CA 1.035 63.981 63.100 -0.256 0.000 0.790 187 P CB 0.025 31.541 31.700 -0.307 0.000 0.780 188 A N -1.075 121.716 122.820 -0.049 0.000 2.121 188 A HA -0.114 4.206 4.320 0.001 0.000 0.218 188 A C 1.980 179.620 177.584 0.094 0.000 1.154 188 A CA 1.182 53.245 52.037 0.044 0.000 0.679 188 A CB -1.247 17.818 19.000 0.108 0.000 0.795 188 A HN 0.165 nan 8.150 nan 0.000 0.458 189 M N -0.894 118.735 119.600 0.049 0.000 2.492 189 M HA 0.017 4.498 4.480 0.001 0.000 0.262 189 M C 2.286 178.638 176.300 0.085 0.000 1.090 189 M CA 0.822 56.153 55.300 0.051 0.000 1.110 189 M CB -0.144 32.414 32.600 -0.070 0.000 1.407 189 M HN 0.445 nan 8.290 nan 0.000 0.470 190 A N 0.704 123.567 122.820 0.072 0.000 1.969 190 A HA -0.015 4.305 4.320 0.001 0.000 0.218 190 A C 2.394 180.055 177.584 0.128 0.000 1.169 190 A CA 1.667 53.773 52.037 0.115 0.000 0.635 190 A CB -0.728 18.325 19.000 0.088 0.000 0.810 190 A HN 0.472 nan 8.150 nan 0.000 0.445 191 A N -0.104 122.774 122.820 0.098 0.000 1.986 191 A HA -0.196 4.125 4.320 0.001 0.000 0.220 191 A C 1.746 179.382 177.584 0.088 0.000 1.171 191 A CA 1.683 53.773 52.037 0.088 0.000 0.640 191 A CB -0.384 18.658 19.000 0.070 0.000 0.811 191 A HN 0.641 nan 8.150 nan 0.000 0.451 192 E N -0.752 119.512 120.200 0.106 0.000 2.463 192 E HA 0.195 4.545 4.350 0.001 0.000 0.193 192 E C -0.893 175.792 176.600 0.141 0.000 1.041 192 E CA -0.277 56.190 56.400 0.112 0.000 0.879 192 E CB 0.551 30.325 29.700 0.123 0.000 0.997 192 E HN 0.302 nan 8.360 nan 0.000 0.478 193 V N 2.145 122.139 119.914 0.133 0.000 2.350 193 V HA 0.071 4.191 4.120 0.001 0.000 0.276 193 V C 0.444 176.523 176.094 -0.025 0.000 1.028 193 V CA -0.454 61.918 62.300 0.119 0.000 0.860 193 V CB 1.631 33.560 31.823 0.177 0.000 0.990 193 V HN -0.064 nan 8.190 nan 0.000 0.453 194 V N 4.384 124.217 119.914 -0.134 0.000 2.346 194 V HA 0.320 4.440 4.120 0.001 0.000 0.320 194 V C 0.566 176.516 176.094 -0.240 0.000 1.663 194 V CA 0.498 62.694 62.300 -0.174 0.000 1.667 194 V CB -0.581 31.136 31.823 -0.177 0.000 1.465 194 V HN 0.867 nan 8.190 nan 0.000 0.524 195 S N 0.725 116.285 115.700 -0.233 0.000 2.587 195 S HA 0.660 5.130 4.470 0.001 0.000 0.269 195 S C 0.142 174.517 174.600 -0.374 0.000 1.154 195 S CA -0.616 57.420 58.200 -0.273 0.000 0.824 195 S CB 2.028 65.070 63.200 -0.265 0.000 1.118 195 S HN 0.473 nan 8.310 nan 0.000 0.462 196 R N 0.203 120.424 120.500 -0.464 0.000 2.977 196 R HA 0.218 4.558 4.340 0.001 0.000 0.161 196 R C 0.358 176.378 176.300 -0.467 0.000 0.805 196 R CA 0.087 55.677 56.100 -0.851 0.000 1.044 196 R CB -0.539 29.162 30.300 -0.998 0.000 1.433 196 R HN 0.484 nan 8.270 nan 0.000 0.570 197 D N 1.808 122.033 120.400 -0.291 0.000 2.263 197 D HA -0.107 4.533 4.640 0.001 0.000 0.208 197 D C 0.633 176.820 176.300 -0.189 0.000 0.971 197 D CA 1.090 54.988 54.000 -0.169 0.000 0.867 197 D CB -0.160 40.586 40.800 -0.091 0.000 0.929 197 D HN 0.302 nan 8.370 nan 0.000 0.492 198 N N -0.051 118.532 118.700 -0.194 0.000 2.275 198 N HA 0.022 4.763 4.740 0.001 0.000 0.236 198 N C -0.721 174.643 175.510 -0.244 0.000 1.154 198 N CA -0.179 52.822 53.050 -0.082 0.000 0.866 198 N CB 0.309 38.844 38.487 0.080 0.000 1.093 198 N HN -0.152 nan 8.380 nan 0.000 0.515 199 V N 1.426 121.024 119.914 -0.526 0.000 2.384 199 V HA 0.537 4.657 4.120 0.001 0.000 0.287 199 V C -0.919 174.880 176.094 -0.491 0.000 1.020 199 V CA -0.527 61.624 62.300 -0.249 0.000 0.850 199 V CB 0.297 32.150 31.823 0.051 0.000 0.987 199 V HN 0.033 nan 8.190 nan 0.000 0.436 200 F N 1.952 122.010 119.950 0.179 0.000 2.603 200 F HA 0.493 5.020 4.527 0.001 0.000 0.317 200 F C 0.070 175.978 175.800 0.180 0.000 1.066 200 F CA -0.790 57.302 58.000 0.153 0.000 0.941 200 F CB 1.659 40.729 39.000 0.118 0.000 1.291 200 F HN 0.493 nan 8.300 nan 0.000 0.472 201 H N 1.703 120.909 119.070 0.226 0.000 2.556 201 H HA 0.692 5.249 4.556 0.001 0.000 0.310 201 H C -1.805 173.581 175.328 0.097 0.000 1.057 201 H CA -0.581 55.539 56.048 0.119 0.000 1.264 201 H CB 1.121 30.922 29.762 0.065 0.000 1.404 201 H HN 0.443 nan 8.280 nan 0.000 0.462 202 V N 5.607 125.567 119.914 0.077 0.000 2.445 202 V HA 0.272 4.393 4.120 0.001 0.000 0.283 202 V C 0.892 176.949 176.094 -0.061 0.000 1.014 202 V CA -0.635 61.603 62.300 -0.104 0.000 0.852 202 V CB 1.146 32.950 31.823 -0.032 0.000 1.021 202 V HN 0.977 nan 8.190 nan 0.000 0.435 203 G N 2.359 111.057 108.800 -0.170 0.000 2.653 203 G HA2 0.280 4.241 3.960 0.001 0.000 0.265 203 G HA3 0.280 4.241 3.960 0.001 0.000 0.265 203 G C -0.098 174.721 174.900 -0.136 0.000 1.237 203 G CA -0.368 44.675 45.100 -0.095 0.000 0.946 203 G HN 0.664 nan 8.290 nan 0.000 0.522 204 H N -0.864 118.179 119.070 -0.046 0.000 2.771 204 H HA 0.287 4.844 4.556 0.001 0.000 0.364 204 H C 1.096 176.071 175.328 -0.587 0.000 1.133 204 H CA 0.555 56.492 56.048 -0.184 0.000 1.423 204 H CB 0.725 30.455 29.762 -0.054 0.000 1.425 204 H HN 0.583 nan 8.280 nan 0.000 0.606 205 G N 0.260 108.266 108.800 -1.324 0.000 2.535 205 G HA2 0.478 4.439 3.960 0.001 0.000 0.303 205 G HA3 0.478 4.439 3.960 0.001 0.000 0.303 205 G C -0.245 173.656 174.900 -1.665 0.000 1.237 205 G CA -0.166 43.962 45.100 -1.619 0.000 0.986 205 G HN 0.570 nan 8.290 nan 0.000 0.494 206 V N -2.802 116.391 119.914 -1.202 0.000 3.001 206 V HA 0.547 4.667 4.120 0.001 0.000 0.314 206 V C -0.443 175.351 176.094 -0.499 0.000 1.099 206 V CA -1.301 60.540 62.300 -0.766 0.000 0.989 206 V CB 1.916 33.391 31.823 -0.579 0.000 1.040 206 V HN 0.603 nan 8.190 nan 0.000 0.434 207 D N 1.345 121.642 120.400 -0.172 0.000 2.493 207 D HA -0.008 4.632 4.640 0.001 0.000 0.240 207 D C 1.315 177.528 176.300 -0.145 0.000 1.142 207 D CA 0.973 54.982 54.000 0.014 0.000 0.872 207 D CB 0.904 41.745 40.800 0.068 0.000 1.173 207 D HN 1.041 nan 8.370 nan 0.000 0.467 208 H N 1.988 121.044 119.070 -0.023 0.000 2.489 208 H HA -0.103 4.453 4.556 0.001 0.000 0.293 208 H C 0.586 175.894 175.328 -0.034 0.000 1.066 208 H CA 1.467 57.492 56.048 -0.038 0.000 1.305 208 H CB -0.022 29.749 29.762 0.014 0.000 1.386 208 H HN 0.253 nan 8.280 nan 0.000 0.551 209 N N 0.284 118.600 118.700 -0.641 0.000 2.328 209 N HA 0.012 4.752 4.740 0.001 0.000 0.247 209 N C 0.850 176.238 175.510 -0.203 0.000 1.165 209 N CA -0.294 52.517 53.050 -0.398 0.000 0.873 209 N CB -0.018 38.178 38.487 -0.485 0.000 1.125 209 N HN 0.203 nan 8.380 nan 0.000 0.513 210 L N 1.024 122.092 121.223 -0.258 0.000 2.013 210 L HA -0.158 4.182 4.340 0.001 0.000 0.212 210 L C 1.370 178.298 176.870 0.097 0.000 1.073 210 L CA 1.814 56.528 54.840 -0.211 0.000 0.753 210 L CB -0.655 40.920 42.059 -0.806 0.000 0.890 210 L HN 0.236 nan 8.230 nan 0.000 0.432 211 D N -1.304 119.186 120.400 0.151 0.000 2.264 211 D HA -0.142 4.498 4.640 0.001 0.000 0.208 211 D C 2.013 178.401 176.300 0.146 0.000 0.966 211 D CA 0.628 54.798 54.000 0.282 0.000 0.864 211 D CB 0.176 41.130 40.800 0.257 0.000 0.933 211 D HN 0.427 nan 8.370 nan 0.000 0.499 212 Q N -0.039 119.800 119.800 0.065 0.000 2.311 212 Q HA 0.069 4.409 4.340 0.001 0.000 0.203 212 Q C 2.396 178.405 176.000 0.015 0.000 0.954 212 Q CA 0.199 56.021 55.803 0.031 0.000 0.885 212 Q CB 0.000 28.740 28.738 0.003 0.000 0.963 212 Q HN 0.388 nan 8.270 nan 0.000 0.471 213 L N -0.638 120.593 121.223 0.012 0.000 2.270 213 L HA 0.076 4.416 4.340 0.001 0.000 0.210 213 L C 2.173 179.029 176.870 -0.024 0.000 1.104 213 L CA 0.757 55.587 54.840 -0.017 0.000 0.804 213 L CB -0.563 41.469 42.059 -0.045 0.000 0.937 213 L HN 0.211 nan 8.230 nan 0.000 0.450 214 G N -0.351 108.450 108.800 0.003 0.000 2.421 214 G HA2 -0.227 3.733 3.960 0.001 0.000 0.216 214 G HA3 -0.227 3.733 3.960 0.001 0.000 0.216 214 G C 0.645 175.574 174.900 0.048 0.000 1.171 214 G CA 0.214 45.261 45.100 -0.088 0.000 0.775 214 G HN 0.346 nan 8.290 nan 0.000 0.543 215 D N 1.299 121.757 120.400 0.098 0.000 2.382 215 D HA 0.148 4.788 4.640 0.001 0.000 0.240 215 D C -1.882 174.404 176.300 -0.022 0.000 1.146 215 D CA -1.195 52.868 54.000 0.105 0.000 0.897 215 D CB 1.609 42.445 40.800 0.061 0.000 1.197 215 D HN 0.078 nan 8.370 nan 0.000 0.432 216 P HA 0.066 nan 4.420 nan 0.000 0.277 216 P C -0.580 176.479 177.300 -0.402 0.000 1.271 216 P CA -0.617 62.368 63.100 -0.192 0.000 0.795 216 P CB 0.605 32.195 31.700 -0.183 0.000 1.101 217 S N 0.779 116.045 115.700 -0.723 0.000 2.528 217 S HA 0.223 4.693 4.470 0.001 0.000 0.277 217 S C -1.220 172.958 174.600 -0.704 0.000 1.297 217 S CA -1.236 56.349 58.200 -1.024 0.000 1.052 217 S CB -0.280 62.272 63.200 -1.080 0.000 0.917 217 S HN 0.306 nan 8.310 nan 0.000 0.492 218 P HA 0.104 nan 4.420 nan 0.000 0.241 218 P C -0.735 176.136 177.300 -0.714 0.000 1.191 218 P CA 0.348 62.895 63.100 -0.921 0.000 0.771 218 P CB -0.002 30.724 31.700 -1.623 0.000 0.929 219 Y N 0.475 120.471 120.300 -0.506 0.000 2.387 219 Y HA 0.577 5.127 4.550 0.001 0.000 0.330 219 Y C 1.218 176.928 175.900 -0.316 0.000 1.133 219 Y CA -1.480 56.301 58.100 -0.531 0.000 1.152 219 Y CB 0.724 38.694 38.460 -0.816 0.000 1.215 219 Y HN -0.062 nan 8.280 nan 0.000 0.466 220 A N 1.719 124.537 122.820 -0.004 0.000 2.621 220 A HA 0.451 4.771 4.320 0.001 0.000 0.267 220 A C 0.007 177.694 177.584 0.171 0.000 1.506 220 A CA -0.723 51.351 52.037 0.061 0.000 0.873 220 A CB -0.024 19.023 19.000 0.079 0.000 1.577 220 A HN 0.708 nan 8.150 nan 0.000 0.536 221 E N -0.321 119.964 120.200 0.141 0.000 2.436 221 E HA 0.408 4.758 4.350 0.001 0.000 0.262 221 E C 0.472 177.176 176.600 0.174 0.000 1.063 221 E CA 0.528 57.005 56.400 0.129 0.000 0.944 221 E CB -0.327 29.412 29.700 0.066 0.000 0.950 221 E HN 2.000 nan 8.360 nan 0.000 0.444 222 G N 0.858 109.696 108.800 0.063 0.000 2.422 222 G HA2 -0.086 3.875 3.960 0.001 0.000 0.607 222 G HA3 -0.086 3.875 3.960 0.001 0.000 0.607 222 G C -0.809 173.937 174.900 -0.256 0.000 1.270 222 G CA -0.462 44.577 45.100 -0.102 0.000 0.992 222 G HN 0.545 nan 8.290 nan 0.000 0.499 223 I N 1.892 122.209 120.570 -0.421 0.000 2.336 223 I HA 0.420 4.590 4.170 0.001 0.000 0.292 223 I C -0.186 175.499 176.117 -0.719 0.000 0.991 223 I CA -0.693 60.373 61.300 -0.390 0.000 1.227 223 I CB 1.375 39.250 38.000 -0.209 0.000 1.366 223 I HN 0.393 nan 8.210 nan 0.000 0.466 224 H N 5.176 124.033 119.070 -0.356 0.000 2.609 224 H HA 0.668 5.225 4.556 0.001 0.000 0.344 224 H C -0.691 174.282 175.328 -0.592 0.000 1.040 224 H CA -0.704 55.037 56.048 -0.512 0.000 1.216 224 H CB 2.123 31.273 29.762 -1.020 0.000 1.529 224 H HN 0.673 nan 8.280 nan 0.000 0.519 225 A N 2.754 125.238 122.820 -0.560 0.000 2.355 225 A HA 0.604 4.924 4.320 0.001 0.000 0.324 225 A C -0.733 176.694 177.584 -0.261 0.000 1.117 225 A CA -0.721 50.818 52.037 -0.830 0.000 0.785 225 A CB 1.889 19.963 19.000 -1.544 0.000 1.254 225 A HN 0.423 nan 8.150 nan 0.000 0.453 226 V N 0.644 120.425 119.914 -0.222 0.000 2.735 226 V HA 0.842 4.962 4.120 0.001 0.000 0.310 226 V C -0.303 175.849 176.094 0.097 0.000 1.061 226 V CA 0.092 62.416 62.300 0.040 0.000 0.913 226 V CB 1.776 33.642 31.823 0.071 0.000 1.005 226 V HN 1.718 nan 8.190 nan 0.000 0.428 227 A N 5.372 128.326 122.820 0.223 0.000 2.374 227 A HA 0.878 5.198 4.320 0.001 0.000 0.305 227 A C -1.456 176.267 177.584 0.231 0.000 1.053 227 A CA -0.508 51.716 52.037 0.312 0.000 0.726 227 A CB 1.970 21.253 19.000 0.472 0.000 1.229 227 A HN 0.981 nan 8.150 nan 0.000 0.431 228 V N 1.372 121.443 119.914 0.262 0.000 2.656 228 V HA 0.887 5.007 4.120 0.001 0.000 0.307 228 V C 0.557 176.733 176.094 0.136 0.000 1.051 228 V CA 0.535 62.921 62.300 0.143 0.000 0.893 228 V CB 1.132 33.034 31.823 0.132 0.000 0.999 228 V HN 2.302 nan 8.190 nan 0.000 0.426 229 G N 3.519 112.370 108.800 0.085 0.000 2.629 229 G HA2 0.039 3.999 3.960 0.001 0.000 0.686 229 G HA3 0.039 3.999 3.960 0.001 0.000 0.686 229 G C 0.136 175.122 174.900 0.144 0.000 1.232 229 G CA -0.045 45.120 45.100 0.108 0.000 0.803 229 G HN 1.496 nan 8.290 nan 0.000 0.638 230 S N -0.223 115.565 115.700 0.146 0.000 2.539 230 S HA 0.361 4.831 4.470 0.001 0.000 0.221 230 S C 1.207 175.983 174.600 0.294 0.000 0.987 230 S CA 0.880 59.184 58.200 0.172 0.000 0.929 230 S CB 0.165 63.411 63.200 0.076 0.000 0.832 230 S HN 1.295 nan 8.310 nan 0.000 0.492 231 M N 3.087 122.874 119.600 0.312 0.000 2.303 231 M HA 0.219 4.700 4.480 0.001 0.000 0.350 231 M C -0.040 176.509 176.300 0.414 0.000 1.518 231 M CA 0.375 55.863 55.300 0.314 0.000 1.070 231 M CB -0.401 32.377 32.600 0.295 0.000 1.910 231 M HN 0.386 nan 8.290 nan 0.000 0.458 232 L N 4.624 126.019 121.223 0.287 0.000 3.858 232 L HA -0.264 4.076 4.340 0.001 0.000 0.425 232 L C -0.126 176.948 176.870 0.339 0.000 1.177 232 L CA 0.027 55.030 54.840 0.272 0.000 0.943 232 L CB -2.208 39.978 42.059 0.211 0.000 1.861 232 L HN 0.704 nan 8.230 nan 0.000 0.985 233 F N 1.827 121.919 119.950 0.237 0.000 2.602 233 F HA 0.147 4.674 4.527 0.001 0.000 0.385 233 F C 0.919 176.868 175.800 0.249 0.000 1.063 233 F CA 0.111 58.257 58.000 0.243 0.000 1.233 233 F CB 0.395 39.519 39.000 0.207 0.000 1.067 233 F HN 0.044 nan 8.300 nan 0.000 0.564 234 D N 8.994 129.031 120.400 -0.606 0.000 2.460 234 D HA 0.291 4.932 4.640 0.001 0.000 0.232 234 D C -1.818 174.230 176.300 -0.420 0.000 1.079 234 D CA -2.480 51.326 54.000 -0.324 0.000 0.864 234 D CB 1.390 42.148 40.800 -0.070 0.000 1.048 234 D HN 0.240 nan 8.370 nan 0.000 0.523 235 P HA -0.132 nan 4.420 nan 0.000 0.221 235 P C 1.170 178.560 177.300 0.150 0.000 1.150 235 P CA 0.630 63.882 63.100 0.254 0.000 0.800 235 P CB 0.515 32.374 31.700 0.265 0.000 0.787 236 E N -0.700 119.493 120.200 -0.012 0.000 2.160 236 E HA -0.204 4.147 4.350 0.001 0.000 0.195 236 E C 1.819 178.378 176.600 -0.069 0.000 0.991 236 E CA 0.594 56.962 56.400 -0.053 0.000 0.810 236 E CB -0.559 29.131 29.700 -0.016 0.000 0.742 236 E HN 0.113 nan 8.360 nan 0.000 0.466 237 F N 0.095 119.903 119.950 -0.237 0.000 2.095 237 F HA -0.237 4.290 4.527 0.000 0.000 0.298 237 F C 1.546 176.987 175.800 -0.598 0.000 1.104 237 F CA 1.721 59.427 58.000 -0.491 0.000 1.232 237 F CB -0.256 38.300 39.000 -0.739 0.000 0.987 237 F HN 0.021 nan 8.300 nan 0.000 0.475 238 F N -0.693 119.233 119.950 -0.039 0.000 2.367 238 F HA -0.066 4.461 4.527 0.001 0.000 0.298 238 F C 2.201 177.855 175.800 -0.242 0.000 1.094 238 F CA 0.823 58.663 58.000 -0.267 0.000 1.409 238 F CB -1.090 37.688 39.000 -0.369 0.000 1.064 238 F HN -0.215 nan 8.300 nan 0.000 0.528 239 V N -0.366 119.602 119.914 0.090 0.000 2.255 239 V HA -0.289 3.831 4.120 0.001 0.000 0.247 239 V C 2.304 178.339 176.094 -0.099 0.000 1.051 239 V CA 1.807 64.134 62.300 0.044 0.000 1.018 239 V CB -0.832 30.976 31.823 -0.025 0.000 0.641 239 V HN 0.167 nan 8.190 nan 0.000 0.445 240 V N 0.114 119.900 119.914 -0.213 0.000 2.261 240 V HA -0.236 3.884 4.120 0.001 0.000 0.246 240 V C 2.699 178.610 176.094 -0.304 0.000 1.047 240 V CA 2.078 64.224 62.300 -0.256 0.000 1.015 240 V CB -1.164 30.473 31.823 -0.312 0.000 0.642 240 V HN 0.560 nan 8.190 nan 0.000 0.446 241 A N 0.778 123.272 122.820 -0.543 0.000 1.902 241 A HA -0.214 4.107 4.320 0.001 0.000 0.217 241 A C 2.547 179.963 177.584 -0.280 0.000 1.181 241 A CA 2.390 54.128 52.037 -0.499 0.000 0.623 241 A CB -0.800 17.558 19.000 -1.070 0.000 0.818 241 A HN 0.689 nan 8.150 nan 0.000 0.443 242 S N -0.173 115.264 115.700 -0.438 0.000 2.383 242 S HA -0.177 4.293 4.470 0.001 0.000 0.227 242 S C 1.928 176.555 174.600 0.046 0.000 1.026 242 S CA 1.521 59.634 58.200 -0.144 0.000 0.981 242 S CB -0.313 62.827 63.200 -0.099 0.000 0.818 242 S HN 0.626 nan 8.310 nan 0.000 0.472 243 K N 1.565 121.949 120.400 -0.027 0.000 2.103 243 K HA 0.131 4.452 4.320 0.001 0.000 0.204 243 K C 2.224 178.782 176.600 -0.071 0.000 1.052 243 K CA 0.987 57.257 56.287 -0.028 0.000 0.945 243 K CB -0.519 31.953 32.500 -0.047 0.000 0.722 243 K HN 0.436 nan 8.250 nan 0.000 0.443 244 A N 0.056 122.803 122.820 -0.122 0.000 2.066 244 A HA 0.034 4.355 4.320 0.001 0.000 0.218 244 A C 0.378 177.583 177.584 -0.632 0.000 1.157 244 A CA 0.659 52.475 52.037 -0.369 0.000 0.670 244 A CB -0.030 18.719 19.000 -0.419 0.000 0.804 244 A HN 0.279 nan 8.150 nan 0.000 0.453 245 F N -0.458 119.538 119.950 0.077 0.000 2.523 245 F HA 0.308 4.835 4.527 0.000 0.000 0.322 245 F C -1.770 174.127 175.800 0.160 0.000 1.361 245 F CA -1.946 56.138 58.000 0.140 0.000 1.151 245 F CB 1.414 40.568 39.000 0.256 0.000 1.391 245 F HN 0.053 nan 8.300 nan 0.000 0.566 246 P HA -0.215 nan 4.420 nan 0.000 0.222 246 P C 1.275 178.637 177.300 0.104 0.000 1.147 246 P CA 1.227 64.400 63.100 0.122 0.000 0.790 246 P CB 0.258 31.987 31.700 0.047 0.000 0.780 247 Q N -0.040 119.819 119.800 0.098 0.000 2.451 247 Q HA 0.040 4.381 4.340 0.001 0.000 0.206 247 Q C 0.292 176.277 176.000 -0.025 0.000 0.947 247 Q CA 0.619 56.444 55.803 0.037 0.000 0.937 247 Q CB -0.635 28.125 28.738 0.036 0.000 1.025 247 Q HN 0.083 nan 8.270 nan 0.000 0.511 248 V N 2.409 122.325 119.914 0.004 0.000 2.427 248 V HA 0.270 4.390 4.120 0.001 0.000 0.286 248 V C -0.035 175.872 176.094 -0.311 0.000 1.034 248 V CA -0.494 61.660 62.300 -0.244 0.000 0.893 248 V CB 1.633 33.236 31.823 -0.368 0.000 0.982 248 V HN 0.115 nan 8.190 nan 0.000 0.452 249 T N 5.844 120.150 114.554 -0.414 0.000 2.771 249 T HA 0.524 4.874 4.350 0.001 0.000 0.291 249 T C -0.507 173.936 174.700 -0.428 0.000 0.954 249 T CA 0.115 62.046 62.100 -0.282 0.000 1.045 249 T CB 0.103 68.889 68.868 -0.136 0.000 0.917 249 T HN 0.310 nan 8.240 nan 0.000 0.484 250 F N 2.664 122.524 119.950 -0.150 0.000 2.385 250 F HA 0.311 4.839 4.527 0.001 0.000 0.360 250 F C 0.730 176.433 175.800 -0.161 0.000 1.122 250 F CA -0.887 57.079 58.000 -0.057 0.000 1.090 250 F CB 0.634 39.702 39.000 0.113 0.000 1.150 250 F HN 0.589 nan 8.300 nan 0.000 0.472 251 H N 2.232 121.432 119.070 0.217 0.000 2.641 251 H HA 0.458 5.015 4.556 0.001 0.000 0.295 251 H C -0.702 174.717 175.328 0.151 0.000 1.070 251 H CA -0.528 55.700 56.048 0.300 0.000 1.257 251 H CB 0.980 30.965 29.762 0.371 0.000 1.393 251 H HN 0.295 nan 8.280 nan 0.000 0.464 252 V N 6.343 126.358 119.914 0.168 0.000 2.294 252 V HA 0.244 4.365 4.120 0.001 0.000 0.272 252 V C 0.056 176.175 176.094 0.042 0.000 1.027 252 V CA -0.396 61.866 62.300 -0.063 0.000 0.823 252 V CB 0.169 31.752 31.823 -0.400 0.000 1.030 252 V HN 0.665 nan 8.190 nan 0.000 0.457 253 I N 3.673 124.230 120.570 -0.022 0.000 2.378 253 I HA 0.591 4.761 4.170 0.001 0.000 0.291 253 I C 1.152 177.214 176.117 -0.091 0.000 0.992 253 I CA -0.362 60.889 61.300 -0.082 0.000 1.154 253 I CB 1.692 39.540 38.000 -0.254 0.000 1.315 253 I HN 0.762 nan 8.210 nan 0.000 0.448 254 G N 4.034 112.778 108.800 -0.092 0.000 2.273 254 G HA2 -0.316 3.644 3.960 0.001 0.000 0.280 254 G HA3 -0.316 3.644 3.960 0.001 0.000 0.280 254 G C 0.923 175.730 174.900 -0.155 0.000 1.047 254 G CA 0.683 45.727 45.100 -0.093 0.000 0.869 254 G HN 0.818 nan 8.290 nan 0.000 0.502 255 S N -1.153 114.352 115.700 -0.325 0.000 2.507 255 S HA 0.310 4.780 4.470 0.001 0.000 0.235 255 S C 2.409 176.739 174.600 -0.448 0.000 0.988 255 S CA 1.331 59.099 58.200 -0.721 0.000 0.944 255 S CB -0.063 62.204 63.200 -1.554 0.000 0.762 255 S HN 2.390 nan 8.310 nan 0.000 0.526 256 G N 1.163 109.832 108.800 -0.217 0.000 2.179 256 G HA2 -0.297 3.663 3.960 0.001 0.000 0.260 256 G HA3 -0.297 3.663 3.960 0.001 0.000 0.260 256 G C -0.026 174.834 174.900 -0.067 0.000 0.977 256 G CA 0.698 45.743 45.100 -0.092 0.000 0.641 256 G HN 0.935 nan 8.290 nan 0.000 0.533 257 M N -2.109 117.420 119.600 -0.118 0.000 2.779 257 M HA 0.843 5.324 4.480 0.001 0.000 0.277 257 M C 0.702 176.982 176.300 -0.033 0.000 1.284 257 M CA -0.446 54.836 55.300 -0.030 0.000 0.801 257 M CB 0.938 33.577 32.600 0.064 0.000 1.712 257 M HN 0.498 nan 8.290 nan 0.000 0.453 258 G N -0.005 108.798 108.800 0.006 0.000 2.849 258 G HA2 0.487 4.447 3.960 0.001 0.000 0.174 258 G HA3 0.487 4.447 3.960 0.001 0.000 0.174 258 G C -1.080 173.853 174.900 0.055 0.000 1.370 258 G CA -0.891 44.216 45.100 0.011 0.000 1.040 258 G HN 0.758 nan 8.290 nan 0.000 0.582 259 R N 0.710 121.226 120.500 0.027 0.000 2.419 259 R HA 0.091 4.431 4.340 0.001 0.000 0.305 259 R C -0.139 176.058 176.300 -0.171 0.000 1.242 259 R CA -0.449 55.675 56.100 0.041 0.000 1.105 259 R CB -0.623 29.718 30.300 0.068 0.000 1.116 259 R HN 0.633 nan 8.270 nan 0.000 0.523 260 H N 5.946 124.619 119.070 -0.662 0.000 3.064 260 H HA -0.001 4.556 4.556 0.001 0.000 0.329 260 H C -1.597 173.444 175.328 -0.478 0.000 1.020 260 H CA -0.911 54.740 56.048 -0.662 0.000 1.402 260 H CB 1.486 30.650 29.762 -0.997 0.000 1.379 260 H HN 0.481 nan 8.280 nan 0.000 0.594 261 P HA -0.048 nan 4.420 nan 0.000 0.230 261 P C 1.127 178.459 177.300 0.054 0.000 1.158 261 P CA 1.151 64.180 63.100 -0.118 0.000 0.769 261 P CB -0.002 31.595 31.700 -0.172 0.000 0.807 262 G N -1.560 107.418 108.800 0.297 0.000 2.777 262 G HA2 -0.083 3.878 3.960 0.001 0.000 0.211 262 G HA3 -0.083 3.878 3.960 0.001 0.000 0.211 262 G C 0.229 175.281 174.900 0.254 0.000 1.149 262 G CA -0.079 45.176 45.100 0.259 0.000 0.785 262 G HN 0.117 nan 8.290 nan 0.000 0.536 263 Y N 1.540 121.946 120.300 0.176 0.000 2.620 263 Y HA 0.361 4.911 4.550 0.001 0.000 0.330 263 Y C 1.379 177.321 175.900 0.069 0.000 1.186 263 Y CA -0.873 57.286 58.100 0.099 0.000 1.467 263 Y CB -0.053 38.470 38.460 0.105 0.000 1.262 263 Y HN 0.052 nan 8.280 nan 0.000 0.550 264 G N 2.230 111.154 108.800 0.206 0.000 2.667 264 G HA2 0.002 3.963 3.960 0.001 0.000 0.250 264 G HA3 0.002 3.963 3.960 0.001 0.000 0.250 264 G C 0.451 175.428 174.900 0.128 0.000 1.212 264 G CA -0.531 44.648 45.100 0.131 0.000 0.874 264 G HN 0.629 nan 8.290 nan 0.000 0.561 265 D N -0.054 120.402 120.400 0.094 0.000 2.310 265 D HA -0.123 4.517 4.640 0.001 0.000 0.212 265 D C 2.027 178.369 176.300 0.070 0.000 0.965 265 D CA 0.825 54.870 54.000 0.075 0.000 0.879 265 D CB 0.091 40.923 40.800 0.054 0.000 0.921 265 D HN 0.527 nan 8.370 nan 0.000 0.510 266 N N 0.473 119.231 118.700 0.096 0.000 2.515 266 N HA -0.064 4.676 4.740 0.001 0.000 0.191 266 N C -0.087 175.505 175.510 0.137 0.000 1.182 266 N CA 0.087 53.205 53.050 0.112 0.000 0.879 266 N CB 0.055 38.640 38.487 0.163 0.000 0.984 266 N HN -0.056 nan 8.380 nan 0.000 0.453 267 V N 1.795 121.762 119.914 0.089 0.000 2.394 267 V HA 0.363 4.483 4.120 0.001 0.000 0.282 267 V C 0.280 176.341 176.094 -0.055 0.000 1.031 267 V CA -0.758 61.546 62.300 0.007 0.000 0.881 267 V CB 1.429 33.159 31.823 -0.154 0.000 0.982 267 V HN 0.071 nan 8.190 nan 0.000 0.451 268 I N 5.229 125.721 120.570 -0.130 0.000 2.339 268 I HA 0.423 4.594 4.170 0.001 0.000 0.290 268 I C -0.465 175.514 176.117 -0.229 0.000 0.994 268 I CA -0.710 60.464 61.300 -0.210 0.000 1.191 268 I CB 1.815 39.660 38.000 -0.258 0.000 1.343 268 I HN 0.264 nan 8.210 nan 0.000 0.458 269 V N 7.232 127.001 119.914 -0.243 0.000 2.370 269 V HA 0.365 4.486 4.120 0.001 0.000 0.279 269 V C -0.570 175.375 176.094 -0.248 0.000 1.029 269 V CA -0.505 61.715 62.300 -0.135 0.000 0.870 269 V CB 0.897 32.725 31.823 0.009 0.000 0.984 269 V HN 0.443 nan 8.190 nan 0.000 0.451 270 Y N 2.096 122.348 120.300 -0.081 0.000 2.567 270 Y HA 0.731 5.281 4.550 0.001 0.000 0.333 270 Y C 1.052 176.893 175.900 -0.099 0.000 1.106 270 Y CA -0.437 57.608 58.100 -0.092 0.000 1.157 270 Y CB 1.524 39.891 38.460 -0.155 0.000 1.277 270 Y HN 0.716 nan 8.280 nan 0.000 0.490 271 G N -0.074 108.777 108.800 0.085 0.000 2.553 271 G HA2 0.205 4.166 3.960 0.001 0.000 0.278 271 G HA3 0.205 4.166 3.960 0.001 0.000 0.278 271 G C -0.778 174.118 174.900 -0.006 0.000 1.349 271 G CA -0.709 44.400 45.100 0.016 0.000 1.037 271 G HN 0.657 nan 8.290 nan 0.000 0.508 272 E N -0.578 119.606 120.200 -0.027 0.000 2.442 272 E HA 0.169 4.519 4.350 0.001 0.000 0.262 272 E C -0.071 176.503 176.600 -0.043 0.000 1.004 272 E CA 0.691 57.067 56.400 -0.039 0.000 0.928 272 E CB 0.523 30.200 29.700 -0.039 0.000 0.937 272 E HN 0.184 nan 8.360 nan 0.000 0.446 273 M N 2.476 122.041 119.600 -0.058 0.000 2.465 273 M HA 0.245 4.726 4.480 0.001 0.000 0.316 273 M C -0.483 175.798 176.300 -0.032 0.000 1.121 273 M CA -1.126 54.137 55.300 -0.063 0.000 0.934 273 M CB 1.914 34.439 32.600 -0.125 0.000 1.692 273 M HN 0.172 nan 8.290 nan 0.000 0.444 274 K N 0.954 121.343 120.400 -0.019 0.000 2.382 274 K HA -0.013 4.308 4.320 0.001 0.000 0.275 274 K C 0.902 177.532 176.600 0.049 0.000 1.009 274 K CA 0.697 56.992 56.287 0.012 0.000 0.970 274 K CB 0.341 32.844 32.500 0.005 0.000 0.934 274 K HN 0.591 nan 8.250 nan 0.000 0.479 275 H N 3.263 122.342 119.070 0.015 0.000 2.278 275 H HA -0.319 4.237 4.556 0.001 0.000 0.287 275 H C 1.377 176.734 175.328 0.048 0.000 1.107 275 H CA 3.239 59.324 56.048 0.061 0.000 1.192 275 H CB -0.158 29.697 29.762 0.155 0.000 1.346 275 H HN 0.664 nan 8.280 nan 0.000 0.478 276 A N -0.004 122.753 122.820 -0.104 0.000 1.933 276 A HA -0.229 4.092 4.320 0.001 0.000 0.218 276 A C 2.437 179.949 177.584 -0.120 0.000 1.175 276 A CA 1.786 53.727 52.037 -0.162 0.000 0.628 276 A CB -0.779 18.213 19.000 -0.013 0.000 0.814 276 A HN 0.747 nan 8.150 nan 0.000 0.444 277 Q N -0.326 119.438 119.800 -0.061 0.000 2.172 277 Q HA -0.140 4.200 4.340 0.001 0.000 0.200 277 Q C 2.093 178.108 176.000 0.024 0.000 0.964 277 Q CA 1.871 57.662 55.803 -0.020 0.000 0.855 277 Q CB -0.259 28.478 28.738 -0.001 0.000 0.918 277 Q HN 0.814 nan 8.270 nan 0.000 0.444 278 T N -1.092 113.443 114.554 -0.031 0.000 2.915 278 T HA -0.098 4.252 4.350 0.001 0.000 0.269 278 T C 1.775 176.490 174.700 0.024 0.000 1.071 278 T CA 0.687 62.789 62.100 0.003 0.000 1.132 278 T CB -0.179 68.670 68.868 -0.031 0.000 0.878 278 T HN 0.173 nan 8.240 nan 0.000 0.479 279 I N 2.453 122.978 120.570 -0.075 0.000 2.226 279 I HA -0.014 4.156 4.170 0.001 0.000 0.245 279 I C 2.969 178.986 176.117 -0.167 0.000 1.100 279 I CA 1.345 62.592 61.300 -0.089 0.000 1.374 279 I CB -1.963 35.983 38.000 -0.088 0.000 1.057 279 I HN 0.466 nan 8.210 nan 0.000 0.413 280 G N -0.135 108.561 108.800 -0.172 0.000 2.442 280 G HA2 -0.279 3.681 3.960 0.001 0.000 0.219 280 G HA3 -0.279 3.681 3.960 0.001 0.000 0.219 280 G C 1.643 176.320 174.900 -0.371 0.000 1.141 280 G CA 0.531 45.482 45.100 -0.249 0.000 0.763 280 G HN 0.325 nan 8.290 nan 0.000 0.554 281 Y N 0.366 120.466 120.300 -0.335 0.000 2.352 281 Y HA 0.086 4.636 4.550 0.001 0.000 0.292 281 Y C 2.614 178.465 175.900 -0.081 0.000 1.136 281 Y CA 0.611 58.506 58.100 -0.342 0.000 1.227 281 Y CB -0.067 38.200 38.460 -0.321 0.000 0.991 281 Y HN 0.163 nan 8.280 nan 0.000 0.545 282 I N -0.211 120.369 120.570 0.016 0.000 2.206 282 I HA -0.227 3.944 4.170 0.001 0.000 0.239 282 I C 2.454 178.420 176.117 -0.251 0.000 1.078 282 I CA 1.173 62.467 61.300 -0.012 0.000 1.367 282 I CB -0.338 37.737 38.000 0.126 0.000 1.078 282 I HN 0.009 nan 8.210 nan 0.000 0.413 283 K N 0.409 120.415 120.400 -0.657 0.000 2.103 283 K HA -0.203 4.117 4.320 0.001 0.000 0.207 283 K C 1.875 178.096 176.600 -0.632 0.000 1.048 283 K CA 1.538 57.174 56.287 -1.085 0.000 0.930 283 K CB -0.063 31.559 32.500 -1.462 0.000 0.716 283 K HN 0.421 nan 8.250 nan 0.000 0.444 284 H N -0.391 118.554 119.070 -0.209 0.000 2.539 284 H HA 0.227 4.784 4.556 0.000 0.000 0.269 284 H C 0.242 175.628 175.328 0.097 0.000 0.980 284 H CA 0.342 56.364 56.048 -0.044 0.000 1.152 284 H CB 0.219 29.935 29.762 -0.076 0.000 1.407 284 H HN 0.235 nan 8.280 nan 0.000 0.564 285 A N 1.151 124.047 122.820 0.126 0.000 2.332 285 A HA 0.195 4.516 4.320 0.001 0.000 0.258 285 A C 1.721 179.268 177.584 -0.062 0.000 1.087 285 A CA -0.304 51.714 52.037 -0.032 0.000 0.802 285 A CB 0.865 19.809 19.000 -0.093 0.000 1.042 285 A HN 0.281 nan 8.150 nan 0.000 0.489 286 R N 0.275 120.712 120.500 -0.106 0.000 2.062 286 R HA 0.081 4.421 4.340 0.001 0.000 0.229 286 R C 0.031 176.393 176.300 0.105 0.000 1.128 286 R CA 2.054 58.153 56.100 -0.002 0.000 0.960 286 R CB -0.344 29.964 30.300 0.013 0.000 0.855 286 R HN 0.848 nan 8.270 nan 0.000 0.432 287 F N -3.221 116.660 119.950 -0.115 0.000 2.645 287 F HA 0.774 5.302 4.527 0.000 0.000 0.310 287 F C -0.289 175.395 175.800 -0.193 0.000 1.102 287 F CA -1.159 56.772 58.000 -0.115 0.000 0.952 287 F CB 0.862 39.816 39.000 -0.077 0.000 1.326 287 F HN -0.030 nan 8.300 nan 0.000 0.456 288 G N 1.058 109.745 108.800 -0.188 0.000 2.489 288 G HA2 0.750 4.710 3.960 0.001 0.000 0.327 288 G HA3 0.750 4.710 3.960 0.001 0.000 0.327 288 G C -1.769 173.033 174.900 -0.162 0.000 1.189 288 G CA -1.122 43.585 45.100 -0.655 0.000 0.962 288 G HN 0.774 nan 8.290 nan 0.000 0.486 289 I N 0.206 120.742 120.570 -0.058 0.000 2.569 289 I HA 0.517 4.687 4.170 0.001 0.000 0.290 289 I C -0.038 176.178 176.117 0.165 0.000 1.088 289 I CA -0.909 60.442 61.300 0.085 0.000 1.047 289 I CB 2.594 40.587 38.000 -0.012 0.000 1.237 289 I HN 0.555 nan 8.210 nan 0.000 0.421 290 A N 7.567 130.385 122.820 -0.002 0.000 2.508 290 A HA 0.621 4.941 4.320 0.001 0.000 0.336 290 A C -2.464 174.814 177.584 -0.511 0.000 1.360 290 A CA -1.351 50.509 52.037 -0.295 0.000 0.841 290 A CB -0.061 18.699 19.000 -0.400 0.000 1.136 290 A HN 0.394 nan 8.150 nan 0.000 0.489 291 P HA 0.185 nan 4.420 nan 0.000 0.219 291 P C -1.106 176.121 177.300 -0.120 0.000 1.832 291 P CA -0.136 62.751 63.100 -0.356 0.000 1.014 291 P CB -0.465 31.000 31.700 -0.392 0.000 1.939 292 Y N 0.908 121.231 120.300 0.038 0.000 2.402 292 Y HA 0.287 4.837 4.550 0.001 0.000 0.333 292 Y C 1.903 177.826 175.900 0.039 0.000 1.076 292 Y CA -0.762 57.363 58.100 0.041 0.000 1.299 292 Y CB 0.328 38.801 38.460 0.023 0.000 1.197 292 Y HN 0.262 nan 8.280 nan 0.000 0.517 293 A N 2.139 125.083 122.820 0.207 0.000 2.167 293 A HA 0.105 4.426 4.320 0.001 0.000 0.214 293 A C 1.024 178.675 177.584 0.113 0.000 1.151 293 A CA 0.919 53.039 52.037 0.139 0.000 0.735 293 A CB -0.019 19.051 19.000 0.117 0.000 0.802 293 A HN 0.482 nan 8.150 nan 0.000 0.467 294 S N -1.396 114.365 115.700 0.102 0.000 2.549 294 S HA 0.451 4.922 4.470 0.001 0.000 0.280 294 S C -0.213 174.403 174.600 0.028 0.000 1.109 294 S CA -0.536 57.697 58.200 0.055 0.000 0.905 294 S CB 1.449 64.674 63.200 0.041 0.000 1.081 294 S HN 0.315 nan 8.310 nan 0.000 0.477 295 E N 1.242 121.445 120.200 0.005 0.000 2.476 295 E HA 0.117 4.468 4.350 0.001 0.000 0.196 295 E C -0.296 176.287 176.600 -0.029 0.000 1.029 295 E CA -0.118 56.271 56.400 -0.019 0.000 0.896 295 E CB 0.388 30.073 29.700 -0.025 0.000 1.012 295 E HN 0.457 nan 8.360 nan 0.000 0.475 296 Q N 1.379 121.166 119.800 -0.022 0.000 3.184 296 Q HA 0.084 4.424 4.340 0.001 0.000 0.288 296 Q C 0.001 175.966 176.000 -0.059 0.000 1.412 296 Q CA 0.073 55.859 55.803 -0.028 0.000 0.991 296 Q CB -0.314 28.420 28.738 -0.007 0.000 1.688 296 Q HN 0.115 nan 8.270 nan 0.000 0.554 297 V N -1.764 118.096 119.914 -0.090 0.000 3.040 297 V HA 0.773 4.893 4.120 0.001 0.000 0.312 297 V C -2.503 173.474 176.094 -0.196 0.000 1.115 297 V CA -2.444 59.762 62.300 -0.158 0.000 0.998 297 V CB 1.879 33.588 31.823 -0.191 0.000 1.042 297 V HN 0.184 nan 8.190 nan 0.000 0.433 298 P HA 0.274 nan 4.420 nan 0.000 0.274 298 P C 1.018 178.118 177.300 -0.334 0.000 1.231 298 P CA -0.129 62.727 63.100 -0.407 0.000 0.790 298 P CB 1.624 32.764 31.700 -0.934 0.000 0.951 299 V N 1.517 121.333 119.914 -0.163 0.000 2.453 299 V HA -0.278 3.842 4.120 0.001 0.000 0.252 299 V C 2.273 178.364 176.094 -0.005 0.000 1.068 299 V CA 2.261 64.528 62.300 -0.055 0.000 1.070 299 V CB -1.742 30.085 31.823 0.007 0.000 0.664 299 V HN 0.668 nan 8.190 nan 0.000 0.461 300 Y N -0.766 119.554 120.300 0.033 0.000 2.509 300 Y HA -0.011 4.539 4.550 0.001 0.000 0.293 300 Y C 1.964 177.900 175.900 0.060 0.000 1.133 300 Y CA 0.643 58.768 58.100 0.041 0.000 1.283 300 Y CB -0.801 37.679 38.460 0.034 0.000 1.001 300 Y HN 0.223 nan 8.280 nan 0.000 0.555 301 L N 1.748 122.923 121.223 -0.080 0.000 2.131 301 L HA -0.047 4.294 4.340 0.001 0.000 0.210 301 L C 2.474 179.413 176.870 0.116 0.000 1.092 301 L CA 1.575 56.425 54.840 0.017 0.000 0.759 301 L CB -1.252 40.707 42.059 -0.166 0.000 0.903 301 L HN 0.338 nan 8.230 nan 0.000 0.435 302 A N -0.790 122.102 122.820 0.120 0.000 1.948 302 A HA -0.243 4.077 4.320 0.001 0.000 0.220 302 A C 1.962 179.641 177.584 0.159 0.000 1.177 302 A CA 2.164 54.296 52.037 0.157 0.000 0.636 302 A CB -0.656 18.493 19.000 0.249 0.000 0.815 302 A HN 0.578 nan 8.150 nan 0.000 0.449 303 D N -0.883 119.669 120.400 0.254 0.000 2.240 303 D HA -0.042 4.598 4.640 0.001 0.000 0.206 303 D C 2.250 178.661 176.300 0.186 0.000 0.963 303 D CA 1.504 55.658 54.000 0.257 0.000 0.863 303 D CB -0.210 40.736 40.800 0.243 0.000 0.973 303 D HN 0.601 nan 8.370 nan 0.000 0.501 304 S N -0.301 115.541 115.700 0.237 0.000 2.524 304 S HA 0.013 4.484 4.470 0.001 0.000 0.216 304 S C 1.106 175.931 174.600 0.374 0.000 0.987 304 S CA -0.312 58.065 58.200 0.296 0.000 0.909 304 S CB 0.073 63.492 63.200 0.366 0.000 0.781 304 S HN -0.016 nan 8.310 nan 0.000 0.521 305 S N 2.014 117.857 115.700 0.239 0.000 2.509 305 S HA 0.162 4.632 4.470 0.001 0.000 0.287 305 S C 1.263 175.945 174.600 0.137 0.000 1.248 305 S CA -0.437 57.880 58.200 0.196 0.000 1.089 305 S CB -0.105 63.212 63.200 0.196 0.000 0.900 305 S HN 0.407 nan 8.310 nan 0.000 0.496 306 M N 4.935 124.597 119.600 0.103 0.000 2.175 306 M HA -0.097 4.383 4.480 0.001 0.000 0.264 306 M C 2.128 178.396 176.300 -0.054 0.000 1.063 306 M CA 1.668 56.974 55.300 0.010 0.000 1.119 306 M CB -0.996 31.586 32.600 -0.030 0.000 1.377 306 M HN 0.866 nan 8.290 nan 0.000 0.415 307 K N 0.629 120.979 120.400 -0.084 0.000 2.057 307 K HA -0.097 4.224 4.320 0.001 0.000 0.206 307 K C 1.869 178.070 176.600 -0.665 0.000 1.050 307 K CA 1.292 57.382 56.287 -0.328 0.000 0.935 307 K CB -0.689 31.644 32.500 -0.278 0.000 0.715 307 K HN 0.238 nan 8.250 nan 0.000 0.439 308 L N 0.824 121.822 121.223 -0.375 0.000 2.083 308 L HA -0.131 4.209 4.340 0.001 0.000 0.209 308 L C 2.566 179.334 176.870 -0.170 0.000 1.083 308 L CA 0.448 55.119 54.840 -0.281 0.000 0.752 308 L CB -0.448 41.552 42.059 -0.099 0.000 0.899 308 L HN 0.222 nan 8.230 nan 0.000 0.433 309 L N -0.456 120.695 121.223 -0.120 0.000 2.046 309 L HA -0.232 4.109 4.340 0.001 0.000 0.208 309 L C 2.656 179.528 176.870 0.003 0.000 1.077 309 L CA 1.774 56.586 54.840 -0.047 0.000 0.747 309 L CB -0.641 41.410 42.059 -0.014 0.000 0.896 309 L HN 0.257 nan 8.230 nan 0.000 0.432 310 Q N -1.062 118.716 119.800 -0.037 0.000 2.084 310 Q HA -0.224 4.117 4.340 0.001 0.000 0.202 310 Q C 2.265 178.471 176.000 0.345 0.000 0.978 310 Q CA 1.830 57.693 55.803 0.101 0.000 0.844 310 Q CB -0.663 28.130 28.738 0.091 0.000 0.898 310 Q HN 0.545 nan 8.270 nan 0.000 0.426 311 Y N 1.764 122.191 120.300 0.212 0.000 2.128 311 Y HA -0.181 4.369 4.550 0.001 0.000 0.284 311 Y C 2.077 178.104 175.900 0.213 0.000 1.154 311 Y CA 0.765 59.004 58.100 0.233 0.000 1.149 311 Y CB -0.890 37.665 38.460 0.158 0.000 0.976 311 Y HN 0.138 nan 8.280 nan 0.000 0.505 312 D N -0.639 119.929 120.400 0.280 0.000 2.178 312 D HA -0.184 4.456 4.640 0.001 0.000 0.201 312 D C 2.107 178.468 176.300 0.101 0.000 0.980 312 D CA 0.882 54.982 54.000 0.168 0.000 0.842 312 D CB -0.783 40.066 40.800 0.083 0.000 0.948 312 D HN 0.301 nan 8.370 nan 0.000 0.472 313 F N 0.470 120.385 119.950 -0.059 0.000 2.126 313 F HA -0.216 4.311 4.527 0.001 0.000 0.299 313 F C 1.640 177.236 175.800 -0.340 0.000 1.096 313 F CA 1.325 59.164 58.000 -0.269 0.000 1.255 313 F CB -0.288 38.420 39.000 -0.485 0.000 0.997 313 F HN -0.145 nan 8.300 nan 0.000 0.479 314 F N 0.448 120.422 119.950 0.041 0.000 2.797 314 F HA 0.290 4.817 4.527 0.000 0.000 0.302 314 F C 1.959 177.715 175.800 -0.074 0.000 1.130 314 F CA 0.592 58.561 58.000 -0.052 0.000 1.387 314 F CB -0.562 38.487 39.000 0.082 0.000 1.107 314 F HN 0.112 nan 8.300 nan 0.000 0.577 315 G N 1.256 110.104 108.800 0.081 0.000 2.179 315 G HA2 -0.327 3.634 3.960 0.001 0.000 0.257 315 G HA3 -0.327 3.634 3.960 0.001 0.000 0.257 315 G C 0.098 175.085 174.900 0.145 0.000 1.010 315 G CA 0.005 45.147 45.100 0.070 0.000 0.736 315 G HN 0.298 nan 8.290 nan 0.000 0.513 316 L N 1.696 123.046 121.223 0.213 0.000 2.500 316 L HA 0.503 4.843 4.340 0.001 0.000 0.272 316 L C -1.516 175.472 176.870 0.198 0.000 1.149 316 L CA -1.625 53.321 54.840 0.178 0.000 0.897 316 L CB 0.258 42.411 42.059 0.156 0.000 1.178 316 L HN -0.046 nan 8.230 nan 0.000 0.473 317 P HA 0.205 nan 4.420 nan 0.000 0.266 317 P C -1.313 176.163 177.300 0.293 0.000 1.195 317 P CA -0.006 63.277 63.100 0.306 0.000 0.768 317 P CB 0.733 32.636 31.700 0.339 0.000 0.838 318 A N 2.738 125.748 122.820 0.316 0.000 2.386 318 A HA 0.600 4.920 4.320 0.001 0.000 0.311 318 A C -0.961 176.826 177.584 0.338 0.000 1.068 318 A CA -0.630 51.582 52.037 0.291 0.000 0.743 318 A CB 1.210 20.399 19.000 0.315 0.000 1.258 318 A HN 0.309 nan 8.150 nan 0.000 0.429 319 V N 1.484 121.596 119.914 0.329 0.000 2.398 319 V HA 0.570 4.691 4.120 0.001 0.000 0.286 319 V C 0.076 176.346 176.094 0.294 0.000 1.026 319 V CA -0.224 62.276 62.300 0.332 0.000 0.868 319 V CB 0.369 32.382 31.823 0.317 0.000 0.982 319 V HN 1.391 nan 8.190 nan 0.000 0.443 320 C N 3.869 123.368 119.300 0.330 0.000 3.311 320 C HA 0.738 5.198 4.460 0.001 0.000 0.325 320 C C -3.188 171.693 174.990 -0.182 0.000 1.352 320 C CA -2.201 56.901 59.018 0.140 0.000 1.308 320 C CB 1.752 29.532 27.740 0.067 0.000 1.619 320 C HN 0.592 nan 8.230 nan 0.000 0.469 321 P HA 0.207 nan 4.420 nan 0.000 0.268 321 P C 0.373 177.532 177.300 -0.235 0.000 1.208 321 P CA 0.475 63.208 63.100 -0.612 0.000 0.777 321 P CB 0.467 31.965 31.700 -0.336 0.000 0.875 322 N N 1.625 120.210 118.700 -0.191 0.000 2.132 322 N HA -0.242 4.498 4.740 0.001 0.000 0.191 322 N C 1.636 177.125 175.510 -0.035 0.000 1.015 322 N CA 1.591 54.602 53.050 -0.065 0.000 0.864 322 N CB -0.477 37.988 38.487 -0.037 0.000 1.006 322 N HN 0.433 nan 8.380 nan 0.000 0.430 323 A N 0.386 123.179 122.820 -0.044 0.000 2.178 323 A HA -0.037 4.283 4.320 0.001 0.000 0.218 323 A C 1.833 179.420 177.584 0.005 0.000 1.157 323 A CA 1.311 53.335 52.037 -0.021 0.000 0.689 323 A CB -0.307 18.673 19.000 -0.033 0.000 0.787 323 A HN 0.281 nan 8.150 nan 0.000 0.465 324 V N -4.650 115.282 119.914 0.030 0.000 3.380 324 V HA 0.205 4.325 4.120 0.001 0.000 0.307 324 V C 1.518 177.666 176.094 0.090 0.000 1.434 324 V CA 0.446 62.793 62.300 0.079 0.000 1.075 324 V CB -0.347 31.573 31.823 0.162 0.000 0.954 324 V HN 0.036 nan 8.190 nan 0.000 0.444 325 V N 1.829 121.782 119.914 0.065 0.000 2.307 325 V HA 0.174 4.295 4.120 0.001 0.000 0.245 325 V C 2.262 178.457 176.094 0.168 0.000 1.045 325 V CA 2.277 64.622 62.300 0.075 0.000 1.024 325 V CB -1.357 30.479 31.823 0.022 0.000 0.651 325 V HN 1.055 nan 8.190 nan 0.000 0.449 326 G N 1.115 109.989 108.800 0.124 0.000 2.574 326 G HA2 -0.269 3.692 3.960 0.001 0.000 0.282 326 G HA3 -0.269 3.692 3.960 0.001 0.000 0.282 326 G C -1.587 173.343 174.900 0.051 0.000 1.257 326 G CA 0.215 45.393 45.100 0.130 0.000 0.956 326 G HN 0.488 nan 8.290 nan 0.000 0.560 327 P HA 0.418 nan 4.420 nan 0.000 0.212 327 P C -1.252 175.648 177.300 -0.667 0.000 1.816 327 P CA 0.205 63.101 63.100 -0.340 0.000 0.944 327 P CB -0.493 30.981 31.700 -0.376 0.000 1.896 328 Y N -0.544 119.719 120.300 -0.062 0.000 2.492 328 Y HA 0.375 4.925 4.550 0.000 0.000 0.346 328 Y C 0.918 176.728 175.900 -0.150 0.000 0.997 328 Y CA -0.963 57.091 58.100 -0.077 0.000 1.025 328 Y CB 2.272 40.717 38.460 -0.026 0.000 1.263 328 Y HN -0.184 nan 8.280 nan 0.000 0.454 329 K N 0.280 120.641 120.400 -0.065 0.000 2.102 329 K HA 0.376 4.697 4.320 0.001 0.000 0.244 329 K C 0.405 176.943 176.600 -0.103 0.000 1.021 329 K CA 0.060 56.223 56.287 -0.206 0.000 0.913 329 K CB 0.602 32.764 32.500 -0.562 0.000 1.062 329 K HN 0.787 nan 8.250 nan 0.000 0.485 330 S N -0.129 115.458 115.700 -0.187 0.000 3.380 330 S HA -0.187 4.283 4.470 0.001 0.000 0.300 330 S C -0.458 173.942 174.600 -0.335 0.000 1.255 330 S CA 1.032 59.166 58.200 -0.110 0.000 0.963 330 S CB -1.079 62.263 63.200 0.236 0.000 1.106 330 S HN 0.557 nan 8.310 nan 0.000 0.629 331 R N -0.155 120.002 120.500 -0.572 0.000 2.437 331 R HA 0.575 4.915 4.340 0.001 0.000 0.310 331 R C -1.184 174.693 176.300 -0.706 0.000 0.955 331 R CA -0.314 55.541 56.100 -0.410 0.000 0.851 331 R CB 0.788 31.026 30.300 -0.104 0.000 1.161 331 R HN 0.133 nan 8.270 nan 0.000 0.446 332 F N 0.929 120.937 119.950 0.097 0.000 2.375 332 F HA 0.357 4.885 4.527 0.001 0.000 0.361 332 F C 1.073 176.954 175.800 0.135 0.000 1.117 332 F CA -0.810 57.241 58.000 0.086 0.000 1.037 332 F CB 1.784 40.808 39.000 0.041 0.000 1.192 332 F HN 0.565 nan 8.300 nan 0.000 0.452 333 G N 2.691 111.613 108.800 0.203 0.000 2.432 333 G HA2 0.395 4.356 3.960 0.001 0.000 0.257 333 G HA3 0.395 4.356 3.960 0.001 0.000 0.257 333 G C -1.343 173.690 174.900 0.223 0.000 1.238 333 G CA -0.205 44.978 45.100 0.138 0.000 0.838 333 G HN 0.672 nan 8.290 nan 0.000 0.547 334 Y N -1.511 118.858 120.300 0.114 0.000 2.638 334 Y HA 0.773 5.323 4.550 0.001 0.000 0.339 334 Y C -0.212 175.741 175.900 0.089 0.000 1.084 334 Y CA -1.428 56.735 58.100 0.105 0.000 1.068 334 Y CB 1.038 39.580 38.460 0.137 0.000 1.294 334 Y HN 0.388 nan 8.280 nan 0.000 0.480 335 T N 3.757 118.418 114.554 0.179 0.000 2.743 335 T HA 0.389 4.739 4.350 0.001 0.000 0.292 335 T C -2.804 172.044 174.700 0.248 0.000 0.972 335 T CA -1.439 60.712 62.100 0.086 0.000 0.967 335 T CB 0.939 69.859 68.868 0.087 0.000 0.926 335 T HN 0.368 nan 8.240 nan 0.000 0.459 336 P HA 0.188 nan 4.420 nan 0.000 0.264 336 P C 1.101 178.511 177.300 0.183 0.000 1.183 336 P CA 0.906 64.179 63.100 0.288 0.000 0.763 336 P CB 0.326 32.125 31.700 0.165 0.000 0.807 337 G N 2.079 110.976 108.800 0.162 0.000 2.176 337 G HA2 -0.247 3.713 3.960 0.001 0.000 0.253 337 G HA3 -0.247 3.713 3.960 0.001 0.000 0.253 337 G C 0.325 175.263 174.900 0.063 0.000 0.979 337 G CA -0.232 44.919 45.100 0.085 0.000 0.641 337 G HN 0.682 nan 8.290 nan 0.000 0.530 338 N N 0.767 119.521 118.700 0.091 0.000 2.609 338 N HA 0.569 5.309 4.740 0.001 0.000 0.234 338 N C 1.457 176.985 175.510 0.031 0.000 1.001 338 N CA 0.616 53.704 53.050 0.063 0.000 0.926 338 N CB 1.034 39.572 38.487 0.085 0.000 1.130 338 N HN 0.366 nan 8.380 nan 0.000 0.510 339 A N 3.485 126.295 122.820 -0.017 0.000 1.883 339 A HA -0.175 4.145 4.320 0.001 0.000 0.217 339 A C 1.555 179.105 177.584 -0.057 0.000 1.186 339 A CA 1.471 53.466 52.037 -0.070 0.000 0.624 339 A CB -0.190 18.767 19.000 -0.073 0.000 0.822 339 A HN 0.642 nan 8.150 nan 0.000 0.444 340 D N 0.030 120.417 120.400 -0.021 0.000 2.149 340 D HA -0.143 4.498 4.640 0.001 0.000 0.198 340 D C 2.492 178.803 176.300 0.018 0.000 0.990 340 D CA 1.853 55.848 54.000 -0.008 0.000 0.839 340 D CB -0.376 40.425 40.800 0.001 0.000 0.948 340 D HN 0.611 nan 8.370 nan 0.000 0.460 341 S N 0.002 115.732 115.700 0.050 0.000 2.383 341 S HA -0.099 4.372 4.470 0.001 0.000 0.227 341 S C 2.260 176.928 174.600 0.112 0.000 1.026 341 S CA 0.792 59.057 58.200 0.109 0.000 0.981 341 S CB -0.634 62.665 63.200 0.165 0.000 0.818 341 S HN 0.082 nan 8.310 nan 0.000 0.472 342 V N 2.338 122.252 119.914 -0.001 0.000 2.287 342 V HA -0.155 3.965 4.120 0.001 0.000 0.248 342 V C 2.500 178.516 176.094 -0.131 0.000 1.053 342 V CA 2.074 64.230 62.300 -0.241 0.000 1.027 342 V CB -0.765 30.732 31.823 -0.543 0.000 0.646 342 V HN 0.496 nan 8.190 nan 0.000 0.447 343 I N 0.350 120.900 120.570 -0.034 0.000 2.226 343 I HA -0.244 3.927 4.170 0.001 0.000 0.245 343 I C 2.648 178.850 176.117 0.142 0.000 1.100 343 I CA 1.530 62.917 61.300 0.145 0.000 1.374 343 I CB -0.603 37.425 38.000 0.047 0.000 1.057 343 I HN 0.285 nan 8.210 nan 0.000 0.413 344 A N 0.660 123.519 122.820 0.065 0.000 1.902 344 A HA -0.159 4.162 4.320 0.001 0.000 0.217 344 A C 2.528 180.120 177.584 0.013 0.000 1.181 344 A CA 1.890 53.956 52.037 0.047 0.000 0.623 344 A CB -0.829 18.202 19.000 0.052 0.000 0.818 344 A HN 0.434 nan 8.150 nan 0.000 0.443 345 A N -0.163 122.683 122.820 0.044 0.000 1.898 345 A HA -0.030 4.291 4.320 0.001 0.000 0.216 345 A C 2.114 179.603 177.584 -0.158 0.000 1.181 345 A CA 1.414 53.486 52.037 0.058 0.000 0.620 345 A CB -0.567 18.579 19.000 0.243 0.000 0.819 345 A HN 0.485 nan 8.150 nan 0.000 0.442 346 I N -0.391 120.029 120.570 -0.251 0.000 2.226 346 I HA -0.235 3.935 4.170 0.001 0.000 0.245 346 I C 2.597 178.326 176.117 -0.646 0.000 1.100 346 I CA 1.721 62.634 61.300 -0.646 0.000 1.374 346 I CB -0.664 36.812 38.000 -0.872 0.000 1.057 346 I HN 0.253 nan 8.210 nan 0.000 0.413 347 T N 0.203 114.583 114.554 -0.289 0.000 2.665 347 T HA -0.275 4.075 4.350 0.001 0.000 0.268 347 T C 1.879 176.395 174.700 -0.306 0.000 1.035 347 T CA 1.535 63.543 62.100 -0.154 0.000 1.151 347 T CB -0.298 68.583 68.868 0.022 0.000 0.862 347 T HN 0.421 nan 8.240 nan 0.000 0.438 348 Q N 0.312 119.874 119.800 -0.397 0.000 2.084 348 Q HA -0.028 4.312 4.340 0.001 0.000 0.202 348 Q C 2.763 178.137 176.000 -1.044 0.000 0.978 348 Q CA 1.401 56.808 55.803 -0.660 0.000 0.844 348 Q CB -0.315 27.978 28.738 -0.742 0.000 0.898 348 Q HN 0.570 nan 8.270 nan 0.000 0.426 349 A N 0.830 123.022 122.820 -1.047 0.000 1.933 349 A HA -0.148 4.173 4.320 0.001 0.000 0.218 349 A C 2.051 179.331 177.584 -0.507 0.000 1.175 349 A CA 0.989 52.548 52.037 -0.796 0.000 0.628 349 A CB -0.644 17.993 19.000 -0.605 0.000 0.814 349 A HN 0.292 nan 8.150 nan 0.000 0.444 350 L N -0.532 120.365 121.223 -0.544 0.000 2.127 350 L HA -0.149 4.192 4.340 0.001 0.000 0.211 350 L C 1.804 178.573 176.870 -0.169 0.000 1.089 350 L CA 1.100 55.764 54.840 -0.293 0.000 0.757 350 L CB -0.245 41.660 42.059 -0.258 0.000 0.899 350 L HN 0.323 nan 8.230 nan 0.000 0.434 351 E N -0.197 119.876 120.200 -0.211 0.000 2.481 351 E HA 0.218 4.568 4.350 0.001 0.000 0.198 351 E C 0.578 177.129 176.600 -0.082 0.000 1.027 351 E CA 0.089 56.416 56.400 -0.123 0.000 0.900 351 E CB 0.224 29.855 29.700 -0.114 0.000 0.993 351 E HN 0.262 nan 8.360 nan 0.000 0.482 352 A N 3.565 126.326 122.820 -0.098 0.000 2.401 352 A HA 0.394 4.714 4.320 0.001 0.000 0.259 352 A C -2.032 175.612 177.584 0.100 0.000 1.103 352 A CA -1.048 51.026 52.037 0.062 0.000 0.789 352 A CB -0.094 19.040 19.000 0.223 0.000 1.035 352 A HN -0.104 nan 8.150 nan 0.000 0.491 353 P HA 0.242 nan 4.420 nan 0.000 0.274 353 P C -0.562 176.795 177.300 0.095 0.000 1.237 353 P CA -0.550 62.602 63.100 0.087 0.000 0.793 353 P CB 0.580 32.325 31.700 0.074 0.000 0.977 354 R N 1.281 121.808 120.500 0.046 0.000 2.216 354 R HA 0.452 4.792 4.340 0.001 0.000 0.332 354 R C -1.320 174.938 176.300 -0.070 0.000 1.056 354 R CA -0.353 55.760 56.100 0.023 0.000 0.901 354 R CB 0.020 30.336 30.300 0.026 0.000 1.039 354 R HN 0.266 nan 8.270 nan 0.000 0.456 355 V N 5.396 125.209 119.914 -0.169 0.000 2.733 355 V HA 0.343 4.464 4.120 0.001 0.000 0.306 355 V C -0.098 175.724 176.094 -0.453 0.000 1.084 355 V CA -0.973 61.068 62.300 -0.432 0.000 0.905 355 V CB 2.066 33.341 31.823 -0.912 0.000 1.010 355 V HN 0.792 nan 8.190 nan 0.000 0.424 356 R N 3.250 123.537 120.500 -0.356 0.000 3.268 356 R HA 0.204 4.544 4.340 0.001 0.000 0.217 356 R C -0.028 176.159 176.300 -0.190 0.000 1.568 356 R CA -0.108 55.839 56.100 -0.254 0.000 1.322 356 R CB -0.039 30.095 30.300 -0.276 0.000 1.280 356 R HN 0.710 nan 8.270 nan 0.000 0.667 357 Y N 0.522 120.819 120.300 -0.005 0.000 2.314 357 Y HA -0.046 4.505 4.550 0.000 0.000 0.293 357 Y C 1.332 177.249 175.900 0.029 0.000 1.129 357 Y CA 0.851 58.962 58.100 0.019 0.000 1.201 357 Y CB 0.063 38.553 38.460 0.050 0.000 0.999 357 Y HN 0.213 nan 8.280 nan 0.000 0.541 358 R N 1.432 122.046 120.500 0.190 0.000 2.312 358 R HA 0.181 4.522 4.340 0.001 0.000 0.311 358 R C -0.359 175.983 176.300 0.069 0.000 1.004 358 R CA -0.467 55.730 56.100 0.161 0.000 0.902 358 R CB 0.645 31.069 30.300 0.206 0.000 1.073 358 R HN 0.124 nan 8.270 nan 0.000 0.457 359 Q N 4.111 123.949 119.800 0.063 0.000 2.295 359 Q HA 0.180 4.520 4.340 0.001 0.000 0.259 359 Q C -1.416 174.597 176.000 0.022 0.000 0.976 359 Q CA -0.334 55.483 55.803 0.023 0.000 0.923 359 Q CB 0.725 29.474 28.738 0.018 0.000 1.185 359 Q HN 0.668 nan 8.270 nan 0.000 0.410 360 C N 6.340 125.654 119.300 0.024 0.000 2.335 360 C HA 0.420 4.880 4.460 0.001 0.000 0.318 360 C C 0.083 175.051 174.990 -0.036 0.000 1.150 360 C CA -1.021 58.006 59.018 0.015 0.000 1.466 360 C CB -0.512 27.310 27.740 0.137 0.000 2.024 360 C HN 0.823 nan 8.230 nan 0.000 0.429 361 L N 3.951 125.106 121.223 -0.112 0.000 2.461 361 L HA 0.190 4.530 4.340 0.001 0.000 0.272 361 L C 0.768 177.498 176.870 -0.232 0.000 1.197 361 L CA 0.136 54.891 54.840 -0.141 0.000 0.836 361 L CB 0.537 42.496 42.059 -0.167 0.000 1.105 361 L HN 0.770 nan 8.230 nan 0.000 0.477 362 N N 0.761 119.362 118.700 -0.166 0.000 2.317 362 N HA -0.049 4.692 4.740 0.001 0.000 0.245 362 N C 0.415 175.804 175.510 -0.201 0.000 1.294 362 N CA -0.140 52.797 53.050 -0.188 0.000 0.924 362 N CB 0.274 38.755 38.487 -0.010 0.000 1.186 362 N HN 0.531 nan 8.380 nan 0.000 0.495 363 W N -0.996 120.284 121.300 -0.033 0.000 2.363 363 W HA -0.104 4.556 4.660 0.001 0.000 0.296 363 W C 2.708 179.210 176.519 -0.029 0.000 1.212 363 W CA 1.197 58.527 57.345 -0.024 0.000 1.260 363 W CB -0.260 29.207 29.460 0.011 0.000 1.131 363 W HN 0.638 nan 8.180 nan 0.000 0.530 364 S N 0.255 116.062 115.700 0.179 0.000 2.348 364 S HA -0.203 4.268 4.470 0.001 0.000 0.221 364 S C 1.516 176.123 174.600 0.012 0.000 1.033 364 S CA 1.932 60.176 58.200 0.074 0.000 1.010 364 S CB -0.500 62.712 63.200 0.021 0.000 0.891 364 S HN 0.101 nan 8.310 nan 0.000 0.442 365 D N 0.568 120.952 120.400 -0.027 0.000 2.144 365 D HA -0.043 4.597 4.640 0.001 0.000 0.199 365 D C 2.062 178.263 176.300 -0.165 0.000 0.984 365 D CA 1.349 55.289 54.000 -0.100 0.000 0.834 365 D CB -0.879 39.862 40.800 -0.099 0.000 0.955 365 D HN 0.402 nan 8.370 nan 0.000 0.465 366 T N 0.128 114.614 114.554 -0.112 0.000 2.708 366 T HA -0.110 4.241 4.350 0.001 0.000 0.266 366 T C 1.995 176.676 174.700 -0.033 0.000 1.037 366 T CA 1.688 63.727 62.100 -0.103 0.000 1.146 366 T CB -0.460 68.348 68.868 -0.099 0.000 0.865 366 T HN 0.152 nan 8.240 nan 0.000 0.435 367 T N 1.985 116.569 114.554 0.049 0.000 2.788 367 T HA -0.115 4.236 4.350 0.001 0.000 0.268 367 T C 1.669 176.348 174.700 -0.035 0.000 1.044 367 T CA 1.152 63.271 62.100 0.031 0.000 1.139 367 T CB -0.473 68.415 68.868 0.033 0.000 0.867 367 T HN 0.327 nan 8.240 nan 0.000 0.454 368 D N 1.104 121.463 120.400 -0.067 0.000 2.133 368 D HA -0.078 4.562 4.640 0.001 0.000 0.195 368 D C 2.352 178.575 176.300 -0.129 0.000 0.997 368 D CA 1.140 55.101 54.000 -0.064 0.000 0.840 368 D CB -0.187 40.564 40.800 -0.081 0.000 0.947 368 D HN 0.343 nan 8.370 nan 0.000 0.452 369 R N -0.001 120.308 120.500 -0.317 0.000 2.093 369 R HA 0.014 4.354 4.340 0.001 0.000 0.224 369 R C 2.424 178.643 176.300 -0.134 0.000 1.101 369 R CA 0.258 56.156 56.100 -0.338 0.000 0.979 369 R CB -0.162 29.874 30.300 -0.439 0.000 0.877 369 R HN 0.042 nan 8.270 nan 0.000 0.441 370 V N 1.387 121.259 119.914 -0.070 0.000 2.332 370 V HA -0.238 3.882 4.120 0.001 0.000 0.248 370 V C 2.146 178.243 176.094 0.005 0.000 1.055 370 V CA 1.714 64.013 62.300 -0.002 0.000 1.038 370 V CB -0.348 31.498 31.823 0.040 0.000 0.651 370 V HN 0.286 nan 8.190 nan 0.000 0.450 371 L N -0.909 120.318 121.223 0.006 0.000 2.095 371 L HA 0.049 4.389 4.340 0.001 0.000 0.204 371 L C 0.676 177.560 176.870 0.023 0.000 1.080 371 L CA 1.146 56.011 54.840 0.043 0.000 0.759 371 L CB -0.088 42.016 42.059 0.075 0.000 0.914 371 L HN 0.318 nan 8.230 nan 0.000 0.439 372 D N -0.785 119.626 120.400 0.019 0.000 2.739 372 D HA 0.143 4.783 4.640 0.001 0.000 0.335 372 D C -1.777 174.518 176.300 -0.008 0.000 1.216 372 D CA -0.947 53.059 54.000 0.010 0.000 0.808 372 D CB 0.963 41.810 40.800 0.079 0.000 1.121 372 D HN 0.079 nan 8.370 nan 0.000 0.499 373 P HA -0.117 nan 4.420 nan 0.000 0.220 373 P C 1.331 178.433 177.300 -0.330 0.000 1.148 373 P CA 0.576 63.460 63.100 -0.362 0.000 0.803 373 P CB 0.471 31.597 31.700 -0.956 0.000 0.782 374 R N 0.014 120.278 120.500 -0.394 0.000 2.193 374 R HA 0.032 4.372 4.340 0.001 0.000 0.229 374 R C 2.231 178.462 176.300 -0.116 0.000 1.110 374 R CA 1.087 57.088 56.100 -0.164 0.000 0.988 374 R CB -0.695 29.562 30.300 -0.073 0.000 0.871 374 R HN 0.147 nan 8.270 nan 0.000 0.458 375 A N -0.033 122.696 122.820 -0.150 0.000 2.206 375 A HA -0.045 4.276 4.320 0.001 0.000 0.211 375 A C -0.034 177.187 177.584 -0.605 0.000 1.158 375 A CA 0.577 52.399 52.037 -0.358 0.000 0.761 375 A CB 0.068 18.801 19.000 -0.445 0.000 0.801 375 A HN 0.265 nan 8.150 nan 0.000 0.473 376 Y N -1.392 118.861 120.300 -0.078 0.000 2.705 376 Y HA 0.334 4.884 4.550 0.001 0.000 0.355 376 Y C -2.163 173.711 175.900 -0.044 0.000 1.039 376 Y CA -2.148 55.920 58.100 -0.052 0.000 1.233 376 Y CB 1.042 39.467 38.460 -0.058 0.000 1.103 376 Y HN 0.122 nan 8.280 nan 0.000 0.624 377 P HA -0.188 nan 4.420 nan 0.000 0.225 377 P C 1.424 178.719 177.300 -0.008 0.000 1.148 377 P CA 1.283 64.332 63.100 -0.085 0.000 0.779 377 P CB 0.376 32.020 31.700 -0.092 0.000 0.780 378 E N 0.096 120.369 120.200 0.122 0.000 2.333 378 E HA -0.169 4.181 4.350 0.001 0.000 0.198 378 E C 1.254 177.943 176.600 0.148 0.000 1.007 378 E CA 1.849 58.342 56.400 0.156 0.000 0.845 378 E CB -1.540 28.233 29.700 0.121 0.000 0.766 378 E HN 0.318 nan 8.360 nan 0.000 0.507 379 T N -1.420 113.226 114.554 0.152 0.000 3.085 379 T HA 0.021 4.371 4.350 0.001 0.000 0.263 379 T C 1.116 176.007 174.700 0.319 0.000 1.127 379 T CA -0.154 62.066 62.100 0.200 0.000 1.103 379 T CB -0.188 68.791 68.868 0.185 0.000 0.921 379 T HN 0.010 nan 8.240 nan 0.000 0.510 380 R N 0.657 121.316 120.500 0.265 0.000 2.537 380 R HA 0.306 4.646 4.340 0.001 0.000 0.280 380 R C 0.760 177.120 176.300 0.099 0.000 1.058 380 R CA -0.155 56.056 56.100 0.186 0.000 1.057 380 R CB 0.506 30.830 30.300 0.040 0.000 0.973 380 R HN 0.334 nan 8.270 nan 0.000 0.438 381 L N 2.870 124.071 121.223 -0.037 0.000 2.585 381 L HA 0.176 4.517 4.340 0.001 0.000 0.226 381 L C -0.362 176.157 176.870 -0.585 0.000 1.113 381 L CA 0.280 54.969 54.840 -0.251 0.000 0.876 381 L CB 0.228 42.115 42.059 -0.286 0.000 1.072 381 L HN 0.552 nan 8.230 nan 0.000 0.468 382 Y N -1.360 118.931 120.300 -0.013 0.000 2.581 382 Y HA 0.430 4.981 4.550 0.001 0.000 0.345 382 Y C -2.134 173.812 175.900 0.075 0.000 1.036 382 Y CA -2.979 55.120 58.100 -0.001 0.000 1.042 382 Y CB 0.347 38.772 38.460 -0.058 0.000 1.289 382 Y HN -0.228 nan 8.280 nan 0.000 0.471 383 P HA -0.055 nan 4.420 nan 0.000 0.259 383 P C -0.760 176.685 177.300 0.242 0.000 1.163 383 P CA 0.696 63.895 63.100 0.166 0.000 0.760 383 P CB 0.063 31.824 31.700 0.100 0.000 0.762 384 H N 3.752 122.859 119.070 0.063 0.000 2.815 384 H HA 0.120 4.677 4.556 0.001 0.000 0.350 384 H C -0.980 174.382 175.328 0.057 0.000 1.080 384 H CA -1.404 54.687 56.048 0.072 0.000 1.433 384 H CB 0.002 29.804 29.762 0.067 0.000 1.432 384 H HN 0.496 nan 8.280 nan 0.000 0.592 385 P HA 0.000 nan 4.420 nan 0.000 0.216 385 P CA 0.000 63.163 63.100 0.105 0.000 0.800 385 P CB 0.000 31.748 31.700 0.081 0.000 0.726