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 3bdz_1_A DATA FIRST_RESID 8 DATA SEQUENCE TSLFTTADHY HTPLGPDGTP HAFFEALRDE AETTPIGWSE AYGGHWVVAG DATA SEQUENCE YKEIQAVIQN TKAFSNKGVT FPRYETGEFE LMMAGQDDPV HKKYRQLVAK DATA SEQUENCE PFSPEATDLF TEQLRQSTND LIDARIELGE GDAATWLANE IPARLTAILL DATA SEQUENCE GLPPEDGDTY RRWVWAITHV ENPEEGAEIF AELVAHARTL IAERRTNPGN DATA SEQUENCE DIMSRVIMSK IDGESLSEDD LIGFFTILLL GGIDATARFL SSVFWRLAWD DATA SEQUENCE IELRRRLIAH PELIPNAVDE LLRFYGPAMV GRLVTQEVTV GDITMKPGQT DATA SEQUENCE AMLWFPIASR DRSAFDSPDN IVIERTPNRH LSLGHGIHRC LGAHLIRVEA DATA SEQUENCE RVAITEFLKR IPEFSLDPNK ECEWLMGQVA GMLHVPIIFP KGKRLSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.749 174.700 0.082 0.000 1.109 8 T CA 0.000 62.138 62.100 0.062 0.000 1.349 8 T CB 0.000 68.902 68.868 0.057 0.000 0.612 9 S N -0.570 115.193 115.700 0.105 0.000 2.472 9 S HA 0.579 5.045 4.470 -0.008 0.000 0.303 9 S C 0.992 175.676 174.600 0.141 0.000 1.099 9 S CA -1.044 57.247 58.200 0.150 0.000 1.077 9 S CB 0.574 63.898 63.200 0.208 0.000 1.031 9 S HN 0.686 nan 8.310 nan 0.000 0.487 10 L N 3.738 125.018 121.223 0.095 0.000 2.275 10 L HA -0.005 4.331 4.340 -0.008 0.000 0.215 10 L C 1.429 178.295 176.870 -0.007 0.000 1.119 10 L CA 1.096 55.963 54.840 0.045 0.000 0.790 10 L CB -0.441 41.578 42.059 -0.067 0.000 0.919 10 L HN 0.692 nan 8.230 nan 0.000 0.443 11 F N 0.028 119.964 119.950 -0.022 0.000 2.234 11 F HA -0.172 4.350 4.527 -0.008 0.000 0.299 11 F C 2.596 178.357 175.800 -0.065 0.000 1.087 11 F CA 1.384 59.329 58.000 -0.092 0.000 1.340 11 F CB -0.913 38.036 39.000 -0.085 0.000 1.031 11 F HN 0.008 nan 8.300 nan 0.000 0.500 12 T N -1.323 113.341 114.554 0.184 0.000 2.737 12 T HA -0.203 4.143 4.350 -0.008 0.000 0.269 12 T C 1.683 176.416 174.700 0.056 0.000 1.040 12 T CA 1.977 64.144 62.100 0.110 0.000 1.142 12 T CB -0.651 68.283 68.868 0.110 0.000 0.861 12 T HN 0.387 nan 8.240 nan 0.000 0.456 13 T N -1.144 113.452 114.554 0.071 0.000 3.252 13 T HA 0.666 5.011 4.350 -0.008 0.000 0.286 13 T C 0.396 175.165 174.700 0.115 0.000 1.013 13 T CA -0.256 61.880 62.100 0.060 0.000 0.914 13 T CB 0.031 68.922 68.868 0.039 0.000 1.131 13 T HN 0.336 nan 8.240 nan 0.000 0.529 14 A N 1.672 124.569 122.820 0.129 0.000 2.524 14 A HA 0.462 4.777 4.320 -0.008 0.000 0.250 14 A C 0.069 177.929 177.584 0.460 0.000 1.078 14 A CA -0.069 52.107 52.037 0.231 0.000 0.761 14 A CB -0.030 18.878 19.000 -0.152 0.000 1.012 14 A HN 0.478 nan 8.150 nan 0.000 0.500 15 D N 1.280 122.084 120.400 0.673 0.000 2.478 15 D HA 0.112 4.748 4.640 -0.008 0.000 0.240 15 D C 1.037 177.725 176.300 0.647 0.000 1.364 15 D CA -0.405 54.005 54.000 0.683 0.000 0.987 15 D CB 0.456 41.491 40.800 0.392 0.000 1.328 15 D HN 0.675 nan 8.370 nan 0.000 0.584 16 H N 2.472 121.890 119.070 0.580 0.000 2.489 16 H HA -0.151 4.401 4.556 -0.008 0.000 0.295 16 H C 0.343 175.665 175.328 -0.010 0.000 1.082 16 H CA 0.993 57.070 56.048 0.049 0.000 1.295 16 H CB -0.198 29.404 29.762 -0.267 0.000 1.380 16 H HN 0.434 nan 8.280 nan 0.000 0.548 17 Y N 0.815 120.968 120.300 -0.246 0.000 2.500 17 Y HA 0.093 4.639 4.550 -0.008 0.000 0.270 17 Y C 0.676 176.221 175.900 -0.592 0.000 1.134 17 Y CA 0.306 58.198 58.100 -0.347 0.000 1.293 17 Y CB 0.505 38.722 38.460 -0.405 0.000 1.063 17 Y HN 0.319 nan 8.280 nan 0.000 0.534 18 H N -0.310 118.874 119.070 0.190 0.000 2.439 18 H HA 0.209 4.760 4.556 -0.008 0.000 0.228 18 H C -0.198 175.161 175.328 0.050 0.000 1.423 18 H CA -0.263 55.848 56.048 0.106 0.000 1.386 18 H CB 0.151 29.949 29.762 0.061 0.000 1.641 18 H HN 0.026 nan 8.280 nan 0.000 0.508 19 T N 0.481 115.093 114.554 0.095 0.000 2.749 19 T HA 0.256 4.602 4.350 -0.008 0.000 0.295 19 T C -2.403 172.176 174.700 -0.201 0.000 0.936 19 T CA -1.880 60.213 62.100 -0.011 0.000 1.060 19 T CB 1.595 70.600 68.868 0.228 0.000 0.904 19 T HN 0.120 nan 8.240 nan 0.000 0.500 20 P HA 0.127 nan 4.420 nan 0.000 0.264 20 P C -0.430 176.736 177.300 -0.224 0.000 1.193 20 P CA -0.209 62.711 63.100 -0.299 0.000 0.763 20 P CB 0.571 32.051 31.700 -0.367 0.000 0.810 21 L N 2.634 123.749 121.223 -0.180 0.000 2.307 21 L HA 0.484 4.819 4.340 -0.008 0.000 0.282 21 L C 1.486 178.266 176.870 -0.149 0.000 1.051 21 L CA -0.461 54.247 54.840 -0.219 0.000 0.804 21 L CB 1.218 43.156 42.059 -0.203 0.000 1.197 21 L HN 0.441 nan 8.230 nan 0.000 0.431 22 G N 1.922 110.628 108.800 -0.158 0.000 2.510 22 G HA2 0.304 4.259 3.960 -0.008 0.000 0.280 22 G HA3 0.304 4.259 3.960 -0.008 0.000 0.280 22 G C -1.546 173.309 174.900 -0.074 0.000 1.386 22 G CA -0.622 44.426 45.100 -0.085 0.000 1.047 22 G HN 0.541 nan 8.290 nan 0.000 0.527 23 P HA -0.024 nan 4.420 nan 0.000 0.226 23 P C 0.535 177.819 177.300 -0.028 0.000 1.153 23 P CA 1.193 64.273 63.100 -0.033 0.000 0.777 23 P CB 0.172 31.856 31.700 -0.026 0.000 0.794 24 D N -0.984 119.400 120.400 -0.026 0.000 2.340 24 D HA 0.062 4.697 4.640 -0.008 0.000 0.220 24 D C 1.479 177.812 176.300 0.056 0.000 1.039 24 D CA 0.707 54.730 54.000 0.039 0.000 0.866 24 D CB -0.824 40.027 40.800 0.086 0.000 0.913 24 D HN 0.254 nan 8.370 nan 0.000 0.523 25 G N 0.141 108.889 108.800 -0.086 0.000 2.157 25 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.239 25 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.239 25 G C 0.394 175.038 174.900 -0.428 0.000 0.982 25 G CA 0.565 45.562 45.100 -0.171 0.000 0.650 25 G HN 0.837 nan 8.290 nan 0.000 0.527 26 T N -2.781 111.424 114.554 -0.583 0.000 2.942 26 T HA 0.786 5.131 4.350 -0.008 0.000 0.289 26 T C -1.844 172.279 174.700 -0.962 0.000 1.044 26 T CA -1.125 60.278 62.100 -1.162 0.000 1.023 26 T CB 3.186 71.314 68.868 -1.234 0.000 1.123 26 T HN -0.051 nan 8.240 nan 0.000 0.512 27 P HA 0.131 nan 4.420 nan 0.000 0.253 27 P C 0.826 177.709 177.300 -0.695 0.000 1.260 27 P CA 0.314 62.907 63.100 -0.845 0.000 0.800 27 P CB -0.377 30.708 31.700 -1.024 0.000 1.162 28 H N 0.329 119.009 119.070 -0.650 0.000 2.387 28 H HA -0.055 4.496 4.556 -0.008 0.000 0.299 28 H C 2.134 177.380 175.328 -0.138 0.000 1.090 28 H CA 0.830 56.654 56.048 -0.373 0.000 1.332 28 H CB -0.045 29.587 29.762 -0.216 0.000 1.386 28 H HN 0.168 nan 8.280 nan 0.000 0.516 29 A N 1.277 124.119 122.820 0.036 0.000 1.902 29 A HA -0.205 4.110 4.320 -0.008 0.000 0.217 29 A C 2.113 179.761 177.584 0.108 0.000 1.181 29 A CA 1.353 53.431 52.037 0.068 0.000 0.623 29 A CB -0.811 18.220 19.000 0.053 0.000 0.818 29 A HN 0.443 nan 8.150 nan 0.000 0.443 30 F N -0.107 119.824 119.950 -0.031 0.000 2.134 30 F HA -0.104 4.418 4.527 -0.008 0.000 0.299 30 F C 1.992 177.917 175.800 0.210 0.000 1.097 30 F CA 1.204 59.235 58.000 0.051 0.000 1.264 30 F CB -0.531 38.487 39.000 0.030 0.000 1.001 30 F HN 0.282 nan 8.300 nan 0.000 0.479 31 F N 0.627 120.496 119.950 -0.136 0.000 2.171 31 F HA -0.210 4.312 4.527 -0.008 0.000 0.300 31 F C 2.338 177.996 175.800 -0.236 0.000 1.090 31 F CA 1.108 58.966 58.000 -0.236 0.000 1.293 31 F CB -0.417 38.507 39.000 -0.126 0.000 1.013 31 F HN 0.068 nan 8.300 nan 0.000 0.486 32 E N 0.513 120.737 120.200 0.040 0.000 2.072 32 E HA -0.168 4.177 4.350 -0.008 0.000 0.191 32 E C 2.303 178.879 176.600 -0.039 0.000 0.985 32 E CA 0.929 57.326 56.400 -0.004 0.000 0.801 32 E CB -0.212 29.502 29.700 0.024 0.000 0.750 32 E HN 0.342 nan 8.360 nan 0.000 0.452 33 A N 1.042 123.829 122.820 -0.055 0.000 1.930 33 A HA -0.151 4.164 4.320 -0.008 0.000 0.217 33 A C 2.139 179.624 177.584 -0.165 0.000 1.175 33 A CA 0.954 52.950 52.037 -0.070 0.000 0.627 33 A CB -0.448 18.541 19.000 -0.017 0.000 0.815 33 A HN 0.222 nan 8.150 nan 0.000 0.443 34 L N -0.158 120.865 121.223 -0.334 0.000 2.093 34 L HA -0.088 4.247 4.340 -0.008 0.000 0.208 34 L C 2.431 179.128 176.870 -0.288 0.000 1.085 34 L CA 2.034 56.589 54.840 -0.474 0.000 0.755 34 L CB -0.640 40.955 42.059 -0.773 0.000 0.904 34 L HN 0.419 nan 8.230 nan 0.000 0.435 35 R N -0.018 120.375 120.500 -0.179 0.000 2.091 35 R HA -0.181 4.154 4.340 -0.008 0.000 0.238 35 R C 1.738 178.020 176.300 -0.030 0.000 1.136 35 R CA 2.044 58.099 56.100 -0.075 0.000 0.959 35 R CB -0.761 29.515 30.300 -0.040 0.000 0.856 35 R HN 0.433 nan 8.270 nan 0.000 0.437 36 D N 0.533 120.912 120.400 -0.034 0.000 2.097 36 D HA -0.184 4.451 4.640 -0.008 0.000 0.195 36 D C 1.772 178.080 176.300 0.013 0.000 0.989 36 D CA 1.290 55.289 54.000 -0.002 0.000 0.827 36 D CB -0.264 40.536 40.800 0.000 0.000 0.966 36 D HN 0.480 nan 8.370 nan 0.000 0.456 37 E N 0.419 120.619 120.200 -0.001 0.000 2.110 37 E HA -0.117 4.229 4.350 -0.008 0.000 0.193 37 E C 1.895 178.580 176.600 0.141 0.000 0.988 37 E CA 0.836 57.275 56.400 0.065 0.000 0.804 37 E CB 0.007 29.743 29.700 0.061 0.000 0.745 37 E HN 0.155 nan 8.360 nan 0.000 0.458 38 A N 0.993 123.889 122.820 0.126 0.000 2.125 38 A HA -0.191 4.124 4.320 -0.008 0.000 0.219 38 A C 1.694 179.344 177.584 0.109 0.000 1.156 38 A CA 1.245 53.398 52.037 0.194 0.000 0.671 38 A CB -0.414 18.681 19.000 0.158 0.000 0.794 38 A HN 0.331 nan 8.150 nan 0.000 0.459 39 E N -1.055 119.188 120.200 0.073 0.000 2.338 39 E HA -0.083 4.263 4.350 -0.008 0.000 0.197 39 E C 1.429 178.055 176.600 0.043 0.000 1.007 39 E CA 1.321 57.751 56.400 0.050 0.000 0.849 39 E CB -0.043 29.680 29.700 0.039 0.000 0.774 39 E HN 0.606 nan 8.360 nan 0.000 0.506 40 T N -0.572 114.015 114.554 0.055 0.000 3.056 40 T HA 0.037 4.382 4.350 -0.008 0.000 0.241 40 T C 0.657 175.373 174.700 0.028 0.000 1.006 40 T CA 0.524 62.648 62.100 0.040 0.000 1.115 40 T CB 0.616 69.512 68.868 0.047 0.000 0.939 40 T HN -0.084 nan 8.240 nan 0.000 0.462 41 T N 3.633 118.217 114.554 0.050 0.000 3.064 41 T HA 0.268 4.614 4.350 -0.008 0.000 0.367 41 T C -2.141 172.543 174.700 -0.026 0.000 1.202 41 T CA -1.116 60.966 62.100 -0.029 0.000 1.133 41 T CB 1.960 70.793 68.868 -0.059 0.000 1.074 41 T HN 0.062 nan 8.240 nan 0.000 0.519 42 P HA 0.122 nan 4.420 nan 0.000 0.229 42 P C 0.040 177.308 177.300 -0.053 0.000 1.160 42 P CA 0.485 63.600 63.100 0.025 0.000 0.777 42 P CB 0.541 32.246 31.700 0.009 0.000 0.814 43 I N -0.877 119.538 120.570 -0.259 0.000 2.569 43 I HA 0.583 4.748 4.170 -0.008 0.000 0.290 43 I C 0.092 175.862 176.117 -0.578 0.000 1.088 43 I CA -0.860 60.255 61.300 -0.309 0.000 1.047 43 I CB 2.494 40.371 38.000 -0.204 0.000 1.237 43 I HN -0.178 nan 8.210 nan 0.000 0.421 44 G N 4.292 112.654 108.800 -0.730 0.000 2.642 44 G HA2 0.380 4.335 3.960 -0.008 0.000 0.293 44 G HA3 0.380 4.335 3.960 -0.008 0.000 0.293 44 G C -2.225 172.730 174.900 0.092 0.000 1.341 44 G CA -0.480 44.269 45.100 -0.586 0.000 0.916 44 G HN 0.587 nan 8.290 nan 0.000 0.474 45 W N 1.877 123.118 121.300 -0.099 0.000 2.390 45 W HA 0.620 5.276 4.660 -0.007 0.000 0.312 45 W C -0.450 175.939 176.519 -0.216 0.000 1.123 45 W CA -0.608 56.524 57.345 -0.355 0.000 1.202 45 W CB 1.874 30.991 29.460 -0.572 0.000 1.251 45 W HN 0.499 nan 8.180 nan 0.000 0.511 46 S N 3.644 118.829 115.700 -0.857 0.000 2.509 46 S HA 0.185 4.650 4.470 -0.008 0.000 0.297 46 S C 0.660 174.856 174.600 -0.675 0.000 1.118 46 S CA -0.435 57.425 58.200 -0.567 0.000 1.074 46 S CB 1.544 64.436 63.200 -0.512 0.000 1.038 46 S HN 0.576 nan 8.310 nan 0.000 0.498 47 E N 2.140 122.206 120.200 -0.222 0.000 2.481 47 E HA 0.140 4.486 4.350 -0.008 0.000 0.195 47 E C 0.933 177.501 176.600 -0.054 0.000 1.047 47 E CA 0.172 56.526 56.400 -0.076 0.000 0.867 47 E CB -0.081 29.636 29.700 0.029 0.000 0.858 47 E HN 0.677 nan 8.360 nan 0.000 0.513 48 A N 0.153 122.957 122.820 -0.027 0.000 2.406 48 A HA 0.120 4.435 4.320 -0.008 0.000 0.243 48 A C -0.321 177.267 177.584 0.007 0.000 1.082 48 A CA -0.169 51.812 52.037 -0.093 0.000 0.786 48 A CB -0.302 18.653 19.000 -0.075 0.000 1.029 48 A HN 0.365 nan 8.150 nan 0.000 0.495 49 Y N -0.649 119.667 120.300 0.027 0.000 3.721 49 Y HA -0.254 4.291 4.550 -0.008 0.000 0.218 49 Y C 1.621 177.548 175.900 0.045 0.000 1.188 49 Y CA 1.324 59.380 58.100 -0.073 0.000 1.607 49 Y CB -1.666 36.606 38.460 -0.314 0.000 1.496 49 Y HN 2.107 nan 8.280 nan 0.000 0.626 50 G N -1.632 107.229 108.800 0.101 0.000 2.179 50 G HA2 0.164 4.120 3.960 -0.008 0.000 0.260 50 G HA3 0.164 4.120 3.960 -0.008 0.000 0.260 50 G C 0.573 175.578 174.900 0.174 0.000 0.977 50 G CA 0.556 45.736 45.100 0.133 0.000 0.641 50 G HN 2.083 nan 8.290 nan 0.000 0.533 51 G N -0.129 108.726 108.800 0.091 0.000 3.444 51 G HA2 0.570 4.525 3.960 -0.008 0.000 0.685 51 G HA3 0.570 4.525 3.960 -0.008 0.000 0.685 51 G C -0.662 173.811 174.900 -0.710 0.000 1.145 51 G CA 0.347 45.283 45.100 -0.273 0.000 0.973 51 G HN 2.600 nan 8.290 nan 0.000 0.525 52 H N -0.570 117.547 119.070 -1.589 0.000 2.981 52 H HA 0.636 5.187 4.556 -0.008 0.000 0.327 52 H C -1.268 173.458 175.328 -1.002 0.000 1.342 52 H CA -1.682 53.761 56.048 -1.010 0.000 1.123 52 H CB 0.628 30.211 29.762 -0.298 0.000 1.851 52 H HN 0.528 nan 8.280 nan 0.000 0.531 53 W N 0.773 121.944 121.300 -0.215 0.000 2.376 53 W HA 0.529 5.184 4.660 -0.008 0.000 0.322 53 W C -0.315 176.139 176.519 -0.110 0.000 1.160 53 W CA -0.808 56.464 57.345 -0.121 0.000 1.218 53 W CB 1.619 31.118 29.460 0.066 0.000 1.205 53 W HN 0.257 nan 8.180 nan 0.000 0.559 54 V N 4.353 124.345 119.914 0.130 0.000 2.326 54 V HA 0.237 4.352 4.120 -0.008 0.000 0.281 54 V C -0.377 175.773 176.094 0.093 0.000 1.015 54 V CA -0.981 61.340 62.300 0.035 0.000 0.823 54 V CB 0.941 32.673 31.823 -0.151 0.000 1.009 54 V HN 0.300 nan 8.190 nan 0.000 0.436 55 V N 4.801 124.761 119.914 0.076 0.000 2.348 55 V HA 0.518 4.633 4.120 -0.008 0.000 0.270 55 V C 0.912 177.050 176.094 0.073 0.000 1.037 55 V CA 0.451 62.774 62.300 0.039 0.000 0.872 55 V CB 0.970 32.763 31.823 -0.049 0.000 1.002 55 V HN 0.955 nan 8.190 nan 0.000 0.464 56 A N 3.846 126.736 122.820 0.117 0.000 2.211 56 A HA 0.542 4.858 4.320 -0.008 0.000 0.208 56 A C 1.305 178.956 177.584 0.112 0.000 1.250 56 A CA 0.544 52.651 52.037 0.115 0.000 0.935 56 A CB 0.082 19.144 19.000 0.104 0.000 0.982 56 A HN 0.843 nan 8.150 nan 0.000 0.490 57 G N -1.891 106.969 108.800 0.100 0.000 2.467 57 G HA2 0.298 4.253 3.960 -0.008 0.000 0.257 57 G HA3 0.298 4.253 3.960 -0.008 0.000 0.257 57 G C 0.420 175.404 174.900 0.139 0.000 1.227 57 G CA -0.107 45.060 45.100 0.112 0.000 0.835 57 G HN 0.308 nan 8.290 nan 0.000 0.556 58 Y N 1.669 122.000 120.300 0.051 0.000 2.145 58 Y HA -0.231 4.314 4.550 -0.008 0.000 0.286 58 Y C 2.839 178.737 175.900 -0.003 0.000 1.145 58 Y CA 2.512 60.643 58.100 0.051 0.000 1.148 58 Y CB 0.166 38.661 38.460 0.059 0.000 0.981 58 Y HN 0.657 nan 8.280 nan 0.000 0.507 59 K N -0.587 119.941 120.400 0.212 0.000 2.097 59 K HA -0.165 4.150 4.320 -0.008 0.000 0.205 59 K C 1.532 178.118 176.600 -0.022 0.000 1.050 59 K CA 1.779 58.117 56.287 0.085 0.000 0.938 59 K CB -0.266 32.277 32.500 0.072 0.000 0.718 59 K HN 0.189 nan 8.250 nan 0.000 0.442 60 E N 1.308 121.496 120.200 -0.020 0.000 2.106 60 E HA -0.048 4.297 4.350 -0.008 0.000 0.192 60 E C 1.927 178.454 176.600 -0.121 0.000 0.984 60 E CA 1.120 57.478 56.400 -0.069 0.000 0.806 60 E CB -0.185 29.478 29.700 -0.061 0.000 0.750 60 E HN 0.368 nan 8.360 nan 0.000 0.458 61 I N 0.594 121.097 120.570 -0.112 0.000 2.252 61 I HA -0.262 3.903 4.170 -0.008 0.000 0.245 61 I C 2.179 178.191 176.117 -0.176 0.000 1.102 61 I CA 0.769 61.989 61.300 -0.133 0.000 1.385 61 I CB -0.242 37.732 38.000 -0.044 0.000 1.064 61 I HN 0.112 nan 8.210 nan 0.000 0.414 62 Q N 0.893 120.542 119.800 -0.251 0.000 2.029 62 Q HA -0.267 4.069 4.340 -0.008 0.000 0.209 62 Q C 2.462 178.369 176.000 -0.154 0.000 0.999 62 Q CA 2.274 57.913 55.803 -0.273 0.000 0.857 62 Q CB -0.754 27.806 28.738 -0.298 0.000 0.926 62 Q HN 0.577 nan 8.270 nan 0.000 0.415 63 A N 0.239 122.985 122.820 -0.123 0.000 1.892 63 A HA -0.175 4.140 4.320 -0.008 0.000 0.218 63 A C 2.488 180.014 177.584 -0.095 0.000 1.188 63 A CA 2.048 54.038 52.037 -0.079 0.000 0.631 63 A CB -0.806 18.155 19.000 -0.066 0.000 0.822 63 A HN 0.235 nan 8.150 nan 0.000 0.447 64 V N -0.492 119.280 119.914 -0.235 0.000 2.323 64 V HA -0.196 3.920 4.120 -0.008 0.000 0.244 64 V C 2.371 178.308 176.094 -0.261 0.000 1.041 64 V CA 1.808 63.801 62.300 -0.511 0.000 1.025 64 V CB -0.531 30.766 31.823 -0.877 0.000 0.656 64 V HN 0.593 nan 8.190 nan 0.000 0.451 65 I N -0.404 120.076 120.570 -0.152 0.000 2.361 65 I HA -0.298 3.867 4.170 -0.008 0.000 0.251 65 I C 2.486 178.635 176.117 0.054 0.000 1.133 65 I CA 1.504 62.795 61.300 -0.015 0.000 1.413 65 I CB 0.024 38.051 38.000 0.046 0.000 1.073 65 I HN 0.419 nan 8.210 nan 0.000 0.424 66 Q N -0.417 119.407 119.800 0.039 0.000 2.389 66 Q HA -0.065 4.270 4.340 -0.008 0.000 0.204 66 Q C 0.566 176.612 176.000 0.077 0.000 0.944 66 Q CA 0.234 56.078 55.803 0.068 0.000 0.908 66 Q CB 0.020 28.790 28.738 0.053 0.000 1.002 66 Q HN 0.236 nan 8.270 nan 0.000 0.493 67 N N 0.802 119.572 118.700 0.117 0.000 3.083 67 N HA -0.005 4.731 4.740 -0.008 0.000 0.260 67 N C 0.370 176.006 175.510 0.209 0.000 1.163 67 N CA 0.087 53.242 53.050 0.174 0.000 1.060 67 N CB 0.618 39.267 38.487 0.271 0.000 1.345 67 N HN 0.108 nan 8.380 nan 0.000 0.515 68 T N -0.933 113.694 114.554 0.121 0.000 3.035 68 T HA -0.094 4.252 4.350 -0.008 0.000 0.268 68 T C 1.600 176.339 174.700 0.065 0.000 1.109 68 T CA 0.773 62.937 62.100 0.107 0.000 1.119 68 T CB 0.105 69.010 68.868 0.061 0.000 0.900 68 T HN 0.406 nan 8.240 nan 0.000 0.503 69 K N 1.628 122.049 120.400 0.035 0.000 2.026 69 K HA 0.045 4.360 4.320 -0.008 0.000 0.208 69 K C 2.366 178.928 176.600 -0.062 0.000 1.048 69 K CA 1.343 57.624 56.287 -0.009 0.000 0.929 69 K CB -0.460 32.029 32.500 -0.018 0.000 0.713 69 K HN 0.416 nan 8.250 nan 0.000 0.439 70 A N -0.118 122.627 122.820 -0.124 0.000 2.147 70 A HA 0.203 4.518 4.320 -0.008 0.000 0.211 70 A C 0.119 177.380 177.584 -0.539 0.000 1.160 70 A CA -0.054 51.766 52.037 -0.361 0.000 0.781 70 A CB 0.202 18.880 19.000 -0.537 0.000 0.842 70 A HN 0.218 nan 8.150 nan 0.000 0.475 71 F N 0.418 120.359 119.950 -0.015 0.000 2.430 71 F HA 0.442 4.964 4.527 -0.008 0.000 0.362 71 F C 0.556 176.346 175.800 -0.017 0.000 1.103 71 F CA -0.502 57.486 58.000 -0.021 0.000 1.045 71 F CB 1.718 40.702 39.000 -0.026 0.000 1.276 71 F HN 0.003 nan 8.300 nan 0.000 0.444 72 S N 1.678 117.446 115.700 0.113 0.000 2.616 72 S HA 0.244 4.710 4.470 -0.008 0.000 0.277 72 S C 0.830 175.444 174.600 0.024 0.000 1.234 72 S CA -0.540 57.698 58.200 0.064 0.000 1.028 72 S CB 0.792 64.010 63.200 0.031 0.000 0.988 72 S HN 0.640 nan 8.310 nan 0.000 0.522 73 N N 1.942 120.638 118.700 -0.007 0.000 2.461 73 N HA 0.134 4.870 4.740 -0.008 0.000 0.188 73 N C 1.077 176.541 175.510 -0.077 0.000 1.134 73 N CA 0.065 53.043 53.050 -0.120 0.000 0.878 73 N CB 0.126 38.414 38.487 -0.332 0.000 0.972 73 N HN 0.423 nan 8.380 nan 0.000 0.456 74 K N -0.467 119.918 120.400 -0.025 0.000 2.280 74 K HA 0.033 4.348 4.320 -0.008 0.000 0.202 74 K C 1.310 177.888 176.600 -0.037 0.000 1.047 74 K CA 0.619 56.894 56.287 -0.020 0.000 0.942 74 K CB -0.297 32.203 32.500 0.000 0.000 0.739 74 K HN 0.175 nan 8.250 nan 0.000 0.457 75 G N 0.682 109.452 108.800 -0.050 0.000 3.523 75 G HA2 0.038 3.994 3.960 -0.008 0.000 0.270 75 G HA3 0.038 3.994 3.960 -0.008 0.000 0.270 75 G C 1.154 175.991 174.900 -0.104 0.000 1.134 75 G CA -0.214 44.849 45.100 -0.061 0.000 0.825 75 G HN 0.076 nan 8.290 nan 0.000 0.534 76 V N 1.496 121.327 119.914 -0.139 0.000 2.324 76 V HA -0.054 4.062 4.120 -0.008 0.000 0.250 76 V C 1.599 177.552 176.094 -0.234 0.000 1.060 76 V CA 2.397 64.580 62.300 -0.196 0.000 1.042 76 V CB -0.242 31.448 31.823 -0.222 0.000 0.650 76 V HN 0.475 nan 8.190 nan 0.000 0.450 77 T N -2.000 112.407 114.554 -0.245 0.000 2.823 77 T HA 0.558 4.903 4.350 -0.008 0.000 0.279 77 T C -1.101 173.567 174.700 -0.055 0.000 0.998 77 T CA -0.507 61.401 62.100 -0.319 0.000 0.994 77 T CB 1.621 70.051 68.868 -0.731 0.000 0.960 77 T HN 0.295 nan 8.240 nan 0.000 0.448 78 F N 4.455 124.278 119.950 -0.211 0.000 2.689 78 F HA 0.467 4.989 4.527 -0.008 0.000 0.332 78 F C -2.753 172.927 175.800 -0.199 0.000 1.209 78 F CA -2.057 55.819 58.000 -0.207 0.000 1.028 78 F CB 2.007 40.867 39.000 -0.234 0.000 1.291 78 F HN 0.434 nan 8.300 nan 0.000 0.500 79 P HA 0.059 nan 4.420 nan 0.000 0.269 79 P C -0.697 176.488 177.300 -0.191 0.000 1.215 79 P CA -0.282 62.449 63.100 -0.615 0.000 0.780 79 P CB 0.901 32.250 31.700 -0.585 0.000 0.898 80 R N 1.890 122.329 120.500 -0.102 0.000 2.583 80 R HA -0.014 4.321 4.340 -0.008 0.000 0.274 80 R C 0.015 176.340 176.300 0.042 0.000 0.998 80 R CA 0.048 56.128 56.100 -0.032 0.000 1.081 80 R CB -0.180 30.102 30.300 -0.029 0.000 0.940 80 R HN 0.338 nan 8.270 nan 0.000 0.413 81 Y N 2.051 122.280 120.300 -0.119 0.000 2.550 81 Y HA -0.045 4.500 4.550 -0.008 0.000 0.343 81 Y C 0.624 176.411 175.900 -0.188 0.000 1.245 81 Y CA -0.173 57.844 58.100 -0.139 0.000 1.462 81 Y CB 0.437 38.826 38.460 -0.118 0.000 1.340 81 Y HN 0.561 nan 8.280 nan 0.000 0.604 82 E N 1.134 121.276 120.200 -0.096 0.000 1.893 82 E HA 0.139 4.484 4.350 -0.008 0.000 0.269 82 E C -0.072 176.223 176.600 -0.509 0.000 1.129 82 E CA -0.136 56.142 56.400 -0.202 0.000 0.904 82 E CB -0.367 29.248 29.700 -0.142 0.000 1.077 82 E HN 0.574 nan 8.360 nan 0.000 0.407 83 T N 1.604 115.789 114.554 -0.615 0.000 3.339 83 T HA 0.500 4.845 4.350 -0.008 0.000 0.292 83 T C 1.023 175.339 174.700 -0.640 0.000 1.012 83 T CA -0.079 61.203 62.100 -1.364 0.000 0.937 83 T CB -0.018 68.440 68.868 -0.684 0.000 1.164 83 T HN 0.518 nan 8.240 nan 0.000 0.509 84 G N 2.714 111.365 108.800 -0.248 0.000 2.622 84 G HA2 -0.319 3.636 3.960 -0.008 0.000 0.307 84 G HA3 -0.319 3.636 3.960 -0.008 0.000 0.307 84 G C 0.594 175.476 174.900 -0.031 0.000 1.226 84 G CA 0.441 45.587 45.100 0.076 0.000 0.997 84 G HN 0.439 nan 8.290 nan 0.000 0.551 85 E N 0.561 120.673 120.200 -0.146 0.000 2.479 85 E HA 0.217 4.562 4.350 -0.008 0.000 0.193 85 E C 0.502 176.843 176.600 -0.433 0.000 1.049 85 E CA 0.128 56.325 56.400 -0.339 0.000 0.870 85 E CB 0.097 29.516 29.700 -0.470 0.000 0.944 85 E HN 0.340 nan 8.360 nan 0.000 0.492 86 F N 1.600 121.568 119.950 0.031 0.000 2.384 86 F HA 0.212 4.734 4.527 -0.008 0.000 0.338 86 F C 1.141 176.914 175.800 -0.046 0.000 1.103 86 F CA -0.542 57.469 58.000 0.018 0.000 1.157 86 F CB 0.842 39.907 39.000 0.110 0.000 1.167 86 F HN -0.279 nan 8.300 nan 0.000 0.529 87 E N 1.763 122.022 120.200 0.099 0.000 2.283 87 E HA 0.392 4.737 4.350 -0.008 0.000 0.267 87 E C -0.905 175.695 176.600 0.001 0.000 1.045 87 E CA -0.866 55.543 56.400 0.015 0.000 0.884 87 E CB 1.163 30.858 29.700 -0.010 0.000 1.106 87 E HN 0.441 nan 8.360 nan 0.000 0.408 88 L N 2.828 124.029 121.223 -0.036 0.000 2.385 88 L HA 0.144 4.479 4.340 -0.008 0.000 0.281 88 L C 0.118 176.920 176.870 -0.113 0.000 1.106 88 L CA -0.472 54.334 54.840 -0.057 0.000 0.856 88 L CB 0.195 42.216 42.059 -0.065 0.000 1.186 88 L HN 0.454 nan 8.230 nan 0.000 0.453 89 M N 5.221 124.697 119.600 -0.206 0.000 2.260 89 M HA 0.036 4.511 4.480 -0.008 0.000 0.348 89 M C 0.797 176.936 176.300 -0.268 0.000 1.342 89 M CA 1.073 56.131 55.300 -0.403 0.000 1.040 89 M CB 0.053 32.189 32.600 -0.772 0.000 1.810 89 M HN 0.761 nan 8.290 nan 0.000 0.453 90 M N 2.322 121.800 119.600 -0.203 0.000 2.796 90 M HA -0.427 4.048 4.480 -0.008 0.000 0.134 90 M C 1.281 177.695 176.300 0.190 0.000 0.713 90 M CA 2.149 57.408 55.300 -0.068 0.000 0.517 90 M CB -2.131 30.391 32.600 -0.130 0.000 1.907 90 M HN 0.816 nan 8.290 nan 0.000 0.252 91 A N -0.193 122.680 122.820 0.087 0.000 1.948 91 A HA 0.045 4.360 4.320 -0.008 0.000 0.220 91 A C 1.917 179.474 177.584 -0.045 0.000 1.177 91 A CA 2.365 54.426 52.037 0.040 0.000 0.636 91 A CB -0.983 17.991 19.000 -0.043 0.000 0.815 91 A HN 0.896 nan 8.150 nan 0.000 0.449 92 G N -1.351 107.438 108.800 -0.017 0.000 3.284 92 G HA2 0.393 4.349 3.960 -0.008 0.000 0.236 92 G HA3 0.393 4.349 3.960 -0.008 0.000 0.236 92 G C 0.348 175.272 174.900 0.040 0.000 1.158 92 G CA -0.218 44.864 45.100 -0.031 0.000 0.774 92 G HN 0.605 nan 8.290 nan 0.000 0.545 93 Q N 0.090 119.983 119.800 0.155 0.000 2.351 93 Q HA 0.460 4.795 4.340 -0.008 0.000 0.273 93 Q C -1.340 174.848 176.000 0.313 0.000 1.077 93 Q CA -0.940 54.992 55.803 0.216 0.000 0.843 93 Q CB 2.036 30.920 28.738 0.244 0.000 1.367 93 Q HN 0.020 nan 8.270 nan 0.000 0.449 94 D N 0.282 120.810 120.400 0.214 0.000 2.340 94 D HA 0.272 4.907 4.640 -0.008 0.000 0.243 94 D C -0.845 175.541 176.300 0.143 0.000 0.988 94 D CA -0.451 53.647 54.000 0.164 0.000 0.959 94 D CB 1.198 42.059 40.800 0.102 0.000 1.226 94 D HN 0.303 nan 8.370 nan 0.000 0.509 95 D N 0.532 120.969 120.400 0.062 0.000 2.357 95 D HA 0.110 4.745 4.640 -0.008 0.000 0.242 95 D C -1.029 175.302 176.300 0.052 0.000 1.153 95 D CA -0.921 53.116 54.000 0.062 0.000 0.918 95 D CB 0.618 41.421 40.800 0.005 0.000 1.181 95 D HN 0.146 nan 8.370 nan 0.000 0.435 96 P HA -0.008 nan 4.420 nan 0.000 0.240 96 P C 1.324 178.652 177.300 0.046 0.000 1.190 96 P CA 0.216 63.339 63.100 0.037 0.000 0.781 96 P CB 0.475 32.183 31.700 0.013 0.000 0.931 97 V N 0.984 120.937 119.914 0.066 0.000 2.255 97 V HA -0.295 3.820 4.120 -0.008 0.000 0.247 97 V C 2.746 178.925 176.094 0.141 0.000 1.051 97 V CA 2.478 64.819 62.300 0.068 0.000 1.018 97 V CB -1.697 30.212 31.823 0.143 0.000 0.641 97 V HN 0.264 nan 8.190 nan 0.000 0.445 98 H N 0.514 119.649 119.070 0.108 0.000 2.321 98 H HA -0.253 4.299 4.556 -0.008 0.000 0.295 98 H C 2.400 177.777 175.328 0.081 0.000 1.102 98 H CA 2.458 58.581 56.048 0.126 0.000 1.266 98 H CB -0.111 29.692 29.762 0.068 0.000 1.363 98 H HN 0.305 nan 8.280 nan 0.000 0.492 99 K N 0.672 121.227 120.400 0.259 0.000 2.057 99 K HA -0.178 4.137 4.320 -0.008 0.000 0.207 99 K C 2.149 178.765 176.600 0.027 0.000 1.049 99 K CA 1.650 58.033 56.287 0.159 0.000 0.931 99 K CB -0.049 32.523 32.500 0.120 0.000 0.714 99 K HN 0.334 nan 8.250 nan 0.000 0.440 100 K N -0.516 119.866 120.400 -0.031 0.000 2.063 100 K HA -0.172 4.143 4.320 -0.008 0.000 0.208 100 K C 2.124 178.668 176.600 -0.094 0.000 1.048 100 K CA 1.912 58.128 56.287 -0.118 0.000 0.928 100 K CB -0.213 32.134 32.500 -0.256 0.000 0.713 100 K HN 0.251 nan 8.250 nan 0.000 0.442 101 Y N 0.104 120.439 120.300 0.058 0.000 2.220 101 Y HA -0.113 4.432 4.550 -0.008 0.000 0.291 101 Y C 2.575 178.578 175.900 0.171 0.000 1.129 101 Y CA 0.825 59.025 58.100 0.167 0.000 1.161 101 Y CB 0.056 38.574 38.460 0.097 0.000 0.997 101 Y HN -0.003 nan 8.280 nan 0.000 0.522 102 R N 0.714 121.293 120.500 0.130 0.000 2.096 102 R HA -0.192 4.143 4.340 -0.008 0.000 0.235 102 R C 1.953 178.313 176.300 0.100 0.000 1.127 102 R CA 1.555 57.697 56.100 0.069 0.000 0.968 102 R CB -0.146 30.084 30.300 -0.117 0.000 0.861 102 R HN 0.435 nan 8.270 nan 0.000 0.440 103 Q N 0.199 120.044 119.800 0.074 0.000 2.234 103 Q HA -0.160 4.175 4.340 -0.008 0.000 0.206 103 Q C 2.110 178.148 176.000 0.064 0.000 0.980 103 Q CA 1.207 57.045 55.803 0.058 0.000 0.869 103 Q CB -0.055 28.703 28.738 0.033 0.000 0.912 103 Q HN 0.432 nan 8.270 nan 0.000 0.436 104 L N 0.177 121.453 121.223 0.089 0.000 2.131 104 L HA -0.128 4.207 4.340 -0.008 0.000 0.210 104 L C 2.035 178.905 176.870 -0.001 0.000 1.092 104 L CA 0.990 55.851 54.840 0.035 0.000 0.759 104 L CB -0.287 41.791 42.059 0.030 0.000 0.903 104 L HN 0.220 nan 8.230 nan 0.000 0.435 105 V N -5.433 114.524 119.914 0.071 0.000 3.528 105 V HA 0.348 4.463 4.120 -0.008 0.000 0.294 105 V C 2.163 178.377 176.094 0.200 0.000 1.404 105 V CA 0.478 62.852 62.300 0.123 0.000 1.065 105 V CB -0.081 31.876 31.823 0.224 0.000 0.904 105 V HN 0.163 nan 8.190 nan 0.000 0.435 106 A N 1.422 124.325 122.820 0.139 0.000 1.908 106 A HA -0.128 4.188 4.320 -0.008 0.000 0.218 106 A C 2.274 179.928 177.584 0.116 0.000 1.181 106 A CA 2.010 54.127 52.037 0.133 0.000 0.627 106 A CB -0.437 18.612 19.000 0.082 0.000 0.818 106 A HN 0.431 nan 8.150 nan 0.000 0.445 107 K N -0.491 119.949 120.400 0.067 0.000 1.985 107 K HA -0.084 4.231 4.320 -0.008 0.000 0.210 107 K C -0.252 176.359 176.600 0.017 0.000 1.047 107 K CA 1.710 58.018 56.287 0.035 0.000 0.932 107 K CB -2.043 30.464 32.500 0.012 0.000 0.716 107 K HN 0.311 nan 8.250 nan 0.000 0.439 108 P HA -0.124 nan 4.420 nan 0.000 0.218 108 P C 0.875 178.006 177.300 -0.281 0.000 1.146 108 P CA 1.153 64.160 63.100 -0.155 0.000 0.813 108 P CB -0.020 31.550 31.700 -0.216 0.000 0.778 109 F N -1.026 118.944 119.950 0.034 0.000 2.727 109 F HA 0.109 4.631 4.527 -0.008 0.000 0.302 109 F C 1.253 177.081 175.800 0.046 0.000 1.097 109 F CA -0.163 57.863 58.000 0.043 0.000 1.330 109 F CB -0.568 38.456 39.000 0.038 0.000 1.084 109 F HN -0.208 nan 8.300 nan 0.000 0.578 110 S N 0.105 115.884 115.700 0.132 0.000 2.568 110 S HA 0.070 4.535 4.470 -0.008 0.000 0.282 110 S C -1.696 172.931 174.600 0.045 0.000 1.338 110 S CA -1.006 57.237 58.200 0.072 0.000 1.045 110 S CB 0.924 64.140 63.200 0.027 0.000 0.873 110 S HN -0.071 nan 8.310 nan 0.000 0.516 111 P HA -0.144 nan 4.420 nan 0.000 0.217 111 P C 1.039 178.285 177.300 -0.091 0.000 1.151 111 P CA 1.404 64.350 63.100 -0.256 0.000 0.849 111 P CB 0.012 31.325 31.700 -0.645 0.000 0.787 112 E N -0.684 119.478 120.200 -0.064 0.000 2.106 112 E HA -0.105 4.240 4.350 -0.008 0.000 0.192 112 E C 2.095 178.706 176.600 0.018 0.000 0.984 112 E CA 1.435 57.822 56.400 -0.021 0.000 0.806 112 E CB -1.037 28.648 29.700 -0.025 0.000 0.750 112 E HN 0.174 nan 8.360 nan 0.000 0.458 113 A N 0.488 123.324 122.820 0.027 0.000 1.968 113 A HA -0.126 4.190 4.320 -0.008 0.000 0.217 113 A C 2.343 180.001 177.584 0.123 0.000 1.169 113 A CA 1.852 53.913 52.037 0.041 0.000 0.638 113 A CB -0.848 18.152 19.000 -0.000 0.000 0.812 113 A HN 0.393 nan 8.150 nan 0.000 0.446 114 T N -3.122 111.522 114.554 0.150 0.000 3.014 114 T HA -0.036 4.309 4.350 -0.008 0.000 0.263 114 T C 1.159 176.051 174.700 0.320 0.000 1.078 114 T CA 1.068 63.323 62.100 0.259 0.000 1.135 114 T CB -0.323 68.663 68.868 0.197 0.000 0.895 114 T HN 0.237 nan 8.240 nan 0.000 0.480 115 D N 1.763 122.298 120.400 0.226 0.000 2.311 115 D HA -0.006 4.629 4.640 -0.008 0.000 0.212 115 D C 1.624 177.990 176.300 0.109 0.000 0.972 115 D CA 0.533 54.645 54.000 0.186 0.000 0.887 115 D CB -0.346 40.540 40.800 0.144 0.000 0.915 115 D HN 0.453 nan 8.370 nan 0.000 0.497 116 L N -1.056 120.198 121.223 0.052 0.000 2.622 116 L HA 0.016 4.352 4.340 -0.008 0.000 0.233 116 L C 1.106 177.804 176.870 -0.287 0.000 1.156 116 L CA 0.221 54.980 54.840 -0.135 0.000 0.866 116 L CB -0.228 41.685 42.059 -0.243 0.000 0.980 116 L HN -0.052 nan 8.230 nan 0.000 0.448 117 F N -1.302 118.657 119.950 0.015 0.000 2.704 117 F HA 0.070 4.592 4.527 -0.008 0.000 0.304 117 F C 2.286 178.098 175.800 0.020 0.000 1.094 117 F CA 0.091 58.099 58.000 0.013 0.000 1.275 117 F CB -0.221 38.784 39.000 0.008 0.000 1.073 117 F HN -0.102 nan 8.300 nan 0.000 0.586 118 T N 0.088 114.740 114.554 0.163 0.000 2.570 118 T HA -0.224 4.122 4.350 -0.008 0.000 0.266 118 T C 1.847 176.594 174.700 0.079 0.000 1.071 118 T CA 1.884 64.050 62.100 0.112 0.000 1.172 118 T CB -0.187 68.734 68.868 0.087 0.000 0.864 118 T HN 0.129 nan 8.240 nan 0.000 0.421 119 E N 0.800 121.029 120.200 0.049 0.000 2.204 119 E HA -0.112 4.233 4.350 -0.008 0.000 0.195 119 E C 2.341 178.966 176.600 0.043 0.000 0.990 119 E CA 0.662 57.083 56.400 0.035 0.000 0.821 119 E CB -0.325 29.384 29.700 0.013 0.000 0.750 119 E HN 0.398 nan 8.360 nan 0.000 0.477 120 Q N 0.534 120.369 119.800 0.058 0.000 2.119 120 Q HA -0.043 4.292 4.340 -0.008 0.000 0.201 120 Q C 2.378 178.432 176.000 0.091 0.000 0.972 120 Q CA 0.651 56.500 55.803 0.078 0.000 0.847 120 Q CB -0.246 28.565 28.738 0.122 0.000 0.903 120 Q HN 0.339 nan 8.270 nan 0.000 0.433 121 L N 0.018 121.305 121.223 0.106 0.000 2.046 121 L HA -0.186 4.149 4.340 -0.008 0.000 0.208 121 L C 2.788 179.691 176.870 0.054 0.000 1.077 121 L CA 1.238 56.127 54.840 0.081 0.000 0.747 121 L CB -0.313 41.795 42.059 0.081 0.000 0.896 121 L HN 0.183 nan 8.230 nan 0.000 0.432 122 R N -0.436 120.093 120.500 0.049 0.000 2.073 122 R HA -0.245 4.090 4.340 -0.008 0.000 0.234 122 R C 2.339 178.658 176.300 0.032 0.000 1.134 122 R CA 1.826 57.948 56.100 0.036 0.000 0.952 122 R CB -0.104 30.215 30.300 0.032 0.000 0.850 122 R HN 0.228 nan 8.270 nan 0.000 0.433 123 Q N 0.116 119.937 119.800 0.035 0.000 2.050 123 Q HA -0.141 4.194 4.340 -0.008 0.000 0.202 123 Q C 2.036 178.057 176.000 0.035 0.000 0.980 123 Q CA 2.344 58.166 55.803 0.032 0.000 0.840 123 Q CB -0.383 28.375 28.738 0.032 0.000 0.898 123 Q HN 0.259 nan 8.270 nan 0.000 0.424 124 S N -1.469 114.256 115.700 0.042 0.000 2.368 124 S HA -0.154 4.312 4.470 -0.008 0.000 0.225 124 S C 1.859 176.477 174.600 0.031 0.000 1.030 124 S CA 1.749 59.975 58.200 0.042 0.000 0.999 124 S CB -0.583 62.648 63.200 0.051 0.000 0.844 124 S HN 0.597 nan 8.310 nan 0.000 0.459 125 T N 2.622 117.190 114.554 0.024 0.000 2.746 125 T HA -0.037 4.308 4.350 -0.008 0.000 0.267 125 T C 1.830 176.534 174.700 0.006 0.000 1.039 125 T CA 1.322 63.425 62.100 0.005 0.000 1.142 125 T CB -0.472 68.404 68.868 0.015 0.000 0.866 125 T HN 0.441 nan 8.240 nan 0.000 0.444 126 N N 1.101 119.812 118.700 0.018 0.000 2.188 126 N HA -0.095 4.641 4.740 -0.008 0.000 0.184 126 N C 1.471 177.005 175.510 0.039 0.000 1.018 126 N CA 1.036 54.098 53.050 0.019 0.000 0.858 126 N CB -0.251 38.245 38.487 0.015 0.000 0.989 126 N HN 0.367 nan 8.380 nan 0.000 0.426 127 D N 1.121 121.547 120.400 0.043 0.000 2.117 127 D HA -0.064 4.571 4.640 -0.008 0.000 0.197 127 D C 2.215 178.569 176.300 0.090 0.000 0.987 127 D CA 0.427 54.461 54.000 0.057 0.000 0.829 127 D CB -0.257 40.573 40.800 0.050 0.000 0.961 127 D HN 0.231 nan 8.370 nan 0.000 0.460 128 L N 0.385 121.660 121.223 0.087 0.000 2.017 128 L HA -0.136 4.199 4.340 -0.008 0.000 0.208 128 L C 2.542 179.595 176.870 0.305 0.000 1.073 128 L CA 0.767 55.694 54.840 0.145 0.000 0.745 128 L CB -0.322 41.749 42.059 0.021 0.000 0.894 128 L HN 0.005 nan 8.230 nan 0.000 0.432 129 I N -0.169 120.502 120.570 0.168 0.000 2.208 129 I HA -0.319 3.846 4.170 -0.008 0.000 0.245 129 I C 2.074 178.379 176.117 0.312 0.000 1.097 129 I CA 1.161 62.623 61.300 0.270 0.000 1.363 129 I CB -0.420 37.609 38.000 0.047 0.000 1.051 129 I HN 0.277 nan 8.210 nan 0.000 0.413 130 D N 1.086 121.589 120.400 0.172 0.000 2.190 130 D HA -0.197 4.438 4.640 -0.008 0.000 0.200 130 D C 2.204 178.574 176.300 0.116 0.000 0.992 130 D CA 1.529 55.599 54.000 0.116 0.000 0.854 130 D CB -0.159 40.686 40.800 0.075 0.000 0.936 130 D HN 0.389 nan 8.370 nan 0.000 0.462 131 A N 0.047 122.964 122.820 0.162 0.000 2.125 131 A HA -0.117 4.198 4.320 -0.008 0.000 0.219 131 A C 1.813 179.359 177.584 -0.063 0.000 1.156 131 A CA 1.165 53.246 52.037 0.073 0.000 0.671 131 A CB -0.043 19.026 19.000 0.116 0.000 0.794 131 A HN 0.200 nan 8.150 nan 0.000 0.459 132 R N -2.138 118.318 120.500 -0.072 0.000 2.526 132 R HA 0.347 4.682 4.340 -0.008 0.000 0.346 132 R C 1.344 177.644 176.300 -0.001 0.000 0.926 132 R CA 0.085 56.017 56.100 -0.279 0.000 1.147 132 R CB -0.153 29.532 30.300 -1.025 0.000 1.629 132 R HN 0.465 nan 8.270 nan 0.000 0.516 133 I N 1.959 122.617 120.570 0.146 0.000 2.335 133 I HA -0.251 3.914 4.170 -0.008 0.000 0.251 133 I C 1.276 177.536 176.117 0.239 0.000 1.129 133 I CA 1.761 63.209 61.300 0.246 0.000 1.402 133 I CB 0.264 38.333 38.000 0.114 0.000 1.069 133 I HN 0.235 nan 8.210 nan 0.000 0.424 134 E N 0.210 120.469 120.200 0.097 0.000 2.427 134 E HA -0.098 4.247 4.350 -0.008 0.000 0.196 134 E C 1.968 178.563 176.600 -0.008 0.000 1.028 134 E CA 0.570 56.996 56.400 0.043 0.000 0.864 134 E CB 0.108 29.814 29.700 0.011 0.000 0.813 134 E HN 0.562 nan 8.360 nan 0.000 0.514 135 L N -0.704 120.496 121.223 -0.039 0.000 2.446 135 L HA 0.160 4.495 4.340 -0.008 0.000 0.219 135 L C 1.614 178.323 176.870 -0.269 0.000 1.116 135 L CA 0.453 55.210 54.840 -0.139 0.000 0.844 135 L CB -0.158 41.795 42.059 -0.176 0.000 0.970 135 L HN 0.254 nan 8.230 nan 0.000 0.457 136 G N 1.236 109.779 108.800 -0.428 0.000 2.168 136 G HA2 -0.287 3.668 3.960 -0.008 0.000 0.263 136 G HA3 -0.287 3.668 3.960 -0.008 0.000 0.263 136 G C 0.117 174.235 174.900 -1.304 0.000 0.977 136 G CA 0.717 45.252 45.100 -0.943 0.000 0.659 136 G HN 0.613 nan 8.290 nan 0.000 0.533 137 E N -1.925 117.701 120.200 -0.956 0.000 2.396 137 E HA 0.644 4.989 4.350 -0.008 0.000 0.280 137 E C -0.321 176.169 176.600 -0.183 0.000 1.065 137 E CA -0.664 55.449 56.400 -0.478 0.000 0.831 137 E CB 1.461 30.995 29.700 -0.277 0.000 1.272 137 E HN 1.574 nan 8.360 nan 0.000 0.443 138 G N 0.848 109.671 108.800 0.038 0.000 2.411 138 G HA2 0.273 4.228 3.960 -0.008 0.000 0.295 138 G HA3 0.273 4.228 3.960 -0.008 0.000 0.295 138 G C -1.994 173.059 174.900 0.256 0.000 1.542 138 G CA -0.739 44.354 45.100 -0.011 0.000 0.814 138 G HN 0.475 nan 8.290 nan 0.000 0.557 139 D N 0.953 121.500 120.400 0.244 0.000 2.380 139 D HA 0.483 5.118 4.640 -0.008 0.000 0.230 139 D C 1.456 177.936 176.300 0.301 0.000 1.154 139 D CA 0.290 54.440 54.000 0.250 0.000 0.859 139 D CB 1.479 42.406 40.800 0.211 0.000 1.045 139 D HN 0.536 nan 8.370 nan 0.000 0.495 140 A N 4.015 126.939 122.820 0.173 0.000 1.978 140 A HA -0.124 4.191 4.320 -0.008 0.000 0.220 140 A C 2.043 179.524 177.584 -0.171 0.000 1.170 140 A CA 1.951 53.867 52.037 -0.202 0.000 0.636 140 A CB -0.298 18.415 19.000 -0.479 0.000 0.810 140 A HN 0.632 nan 8.150 nan 0.000 0.448 141 A N -0.426 122.398 122.820 0.005 0.000 1.854 141 A HA -0.055 4.260 4.320 -0.008 0.000 0.214 141 A C 2.467 180.049 177.584 -0.003 0.000 1.192 141 A CA 2.428 54.460 52.037 -0.008 0.000 0.611 141 A CB -1.265 17.704 19.000 -0.052 0.000 0.832 141 A HN 0.759 nan 8.150 nan 0.000 0.442 142 T N -4.685 109.908 114.554 0.065 0.000 2.942 142 T HA -0.141 4.205 4.350 -0.008 0.000 0.265 142 T C 1.630 176.414 174.700 0.141 0.000 1.062 142 T CA 1.383 63.531 62.100 0.081 0.000 1.139 142 T CB -0.367 68.572 68.868 0.118 0.000 0.883 142 T HN 0.652 nan 8.240 nan 0.000 0.468 143 W N 1.542 122.811 121.300 -0.051 0.000 2.453 143 W HA 0.373 5.030 4.660 -0.005 0.000 0.289 143 W C 1.360 177.830 176.519 -0.081 0.000 1.215 143 W CA 0.260 57.569 57.345 -0.060 0.000 1.297 143 W CB -0.275 29.151 29.460 -0.058 0.000 1.113 143 W HN 0.251 nan 8.180 nan 0.000 0.551 144 L N -0.617 120.399 121.223 -0.345 0.000 2.666 144 L HA 0.297 4.632 4.340 -0.008 0.000 0.184 144 L C 2.580 179.353 176.870 -0.162 0.000 1.092 144 L CA 0.740 55.290 54.840 -0.483 0.000 0.857 144 L CB -1.375 40.081 42.059 -1.006 0.000 1.281 144 L HN -0.169 nan 8.230 nan 0.000 0.489 145 A N 0.836 123.624 122.820 -0.054 0.000 1.917 145 A HA -0.232 4.083 4.320 -0.008 0.000 0.219 145 A C 1.922 179.499 177.584 -0.012 0.000 1.182 145 A CA 2.321 54.384 52.037 0.044 0.000 0.633 145 A CB -0.657 18.387 19.000 0.074 0.000 0.819 145 A HN 0.463 nan 8.150 nan 0.000 0.448 146 N N -0.220 118.466 118.700 -0.024 0.000 2.216 146 N HA -0.081 4.654 4.740 -0.008 0.000 0.183 146 N C 1.635 177.142 175.510 -0.005 0.000 1.017 146 N CA 1.311 54.349 53.050 -0.019 0.000 0.861 146 N CB -0.275 38.198 38.487 -0.023 0.000 0.986 146 N HN 0.485 nan 8.380 nan 0.000 0.428 147 E N 0.674 120.870 120.200 -0.008 0.000 2.072 147 E HA 0.012 4.358 4.350 -0.008 0.000 0.190 147 E C 2.195 178.798 176.600 0.005 0.000 0.982 147 E CA 0.271 56.674 56.400 0.004 0.000 0.803 147 E CB -0.165 29.542 29.700 0.011 0.000 0.755 147 E HN 0.388 nan 8.360 nan 0.000 0.453 148 I N 1.968 122.533 120.570 -0.010 0.000 2.127 148 I HA -0.222 3.943 4.170 -0.008 0.000 0.241 148 I C -0.478 175.644 176.117 0.008 0.000 1.075 148 I CA 1.461 62.761 61.300 -0.001 0.000 1.334 148 I CB -1.307 36.689 38.000 -0.007 0.000 1.040 148 I HN 0.109 nan 8.210 nan 0.000 0.405 149 P HA -0.070 nan 4.420 nan 0.000 0.220 149 P C 1.382 178.689 177.300 0.011 0.000 1.152 149 P CA 1.626 64.731 63.100 0.008 0.000 0.812 149 P CB 0.062 31.770 31.700 0.013 0.000 0.792 150 A N 0.977 123.814 122.820 0.028 0.000 1.902 150 A HA -0.160 4.155 4.320 -0.008 0.000 0.217 150 A C 2.423 180.051 177.584 0.073 0.000 1.181 150 A CA 1.302 53.376 52.037 0.062 0.000 0.623 150 A CB -1.102 17.950 19.000 0.087 0.000 0.818 150 A HN 0.070 nan 8.150 nan 0.000 0.443 151 R N -1.265 119.268 120.500 0.055 0.000 2.092 151 R HA -0.052 4.283 4.340 -0.008 0.000 0.231 151 R C 2.085 178.402 176.300 0.028 0.000 1.119 151 R CA 1.284 57.420 56.100 0.059 0.000 0.970 151 R CB -0.446 29.885 30.300 0.051 0.000 0.864 151 R HN 0.490 nan 8.270 nan 0.000 0.440 152 L N 0.654 121.875 121.223 -0.003 0.000 2.072 152 L HA -0.074 4.261 4.340 -0.008 0.000 0.205 152 L C 1.825 178.621 176.870 -0.123 0.000 1.079 152 L CA 1.958 56.758 54.840 -0.067 0.000 0.752 152 L CB -0.743 41.274 42.059 -0.070 0.000 0.906 152 L HN 0.025 nan 8.230 nan 0.000 0.436 153 T N 0.258 114.765 114.554 -0.079 0.000 2.720 153 T HA -0.175 4.170 4.350 -0.008 0.000 0.268 153 T C 1.936 176.566 174.700 -0.117 0.000 1.037 153 T CA 1.398 63.441 62.100 -0.096 0.000 1.144 153 T CB -0.598 68.225 68.868 -0.076 0.000 0.864 153 T HN 0.539 nan 8.240 nan 0.000 0.444 154 A N 1.515 124.289 122.820 -0.078 0.000 1.851 154 A HA -0.095 4.220 4.320 -0.008 0.000 0.216 154 A C 2.294 179.869 177.584 -0.015 0.000 1.195 154 A CA 1.570 53.577 52.037 -0.050 0.000 0.622 154 A CB -0.956 18.110 19.000 0.110 0.000 0.831 154 A HN 0.521 nan 8.150 nan 0.000 0.444 155 I N -0.363 120.204 120.570 -0.006 0.000 2.194 155 I HA -0.292 3.873 4.170 -0.008 0.000 0.246 155 I C 2.413 178.507 176.117 -0.039 0.000 1.093 155 I CA 1.239 62.549 61.300 0.017 0.000 1.355 155 I CB -0.366 37.671 38.000 0.061 0.000 1.046 155 I HN 0.317 nan 8.210 nan 0.000 0.413 156 L N 0.029 121.147 121.223 -0.175 0.000 2.083 156 L HA -0.181 4.154 4.340 -0.008 0.000 0.209 156 L C 2.097 178.914 176.870 -0.087 0.000 1.083 156 L CA 1.247 55.954 54.840 -0.222 0.000 0.752 156 L CB -0.275 41.599 42.059 -0.310 0.000 0.899 156 L HN 0.288 nan 8.230 nan 0.000 0.433 157 L N -0.480 120.713 121.223 -0.051 0.000 2.611 157 L HA 0.195 4.531 4.340 -0.008 0.000 0.229 157 L C 1.227 178.145 176.870 0.081 0.000 1.137 157 L CA 0.271 55.122 54.840 0.018 0.000 0.901 157 L CB -0.441 41.598 42.059 -0.033 0.000 1.098 157 L HN 0.432 nan 8.230 nan 0.000 0.456 158 G N 1.122 109.958 108.800 0.059 0.000 2.221 158 G HA2 -0.278 3.677 3.960 -0.008 0.000 0.265 158 G HA3 -0.278 3.677 3.960 -0.008 0.000 0.265 158 G C -0.029 174.939 174.900 0.113 0.000 1.041 158 G CA 0.163 45.313 45.100 0.084 0.000 0.807 158 G HN 0.277 nan 8.290 nan 0.000 0.502 159 L N -0.586 120.706 121.223 0.115 0.000 2.332 159 L HA 0.536 4.871 4.340 -0.008 0.000 0.269 159 L C -2.014 174.967 176.870 0.185 0.000 1.016 159 L CA -2.693 52.249 54.840 0.171 0.000 0.809 159 L CB 1.698 43.831 42.059 0.124 0.000 1.280 159 L HN -0.174 nan 8.230 nan 0.000 0.447 160 P HA 0.107 nan 4.420 nan 0.000 0.269 160 P C -2.157 175.270 177.300 0.213 0.000 1.252 160 P CA -0.998 62.214 63.100 0.187 0.000 0.780 160 P CB 0.412 32.210 31.700 0.163 0.000 0.829 161 P HA -0.208 nan 4.420 nan 0.000 0.217 161 P C 1.216 178.568 177.300 0.085 0.000 1.148 161 P CA 1.341 64.520 63.100 0.133 0.000 0.828 161 P CB -0.106 31.649 31.700 0.091 0.000 0.783 162 E N -0.891 119.335 120.200 0.042 0.000 2.427 162 E HA -0.104 4.241 4.350 -0.008 0.000 0.196 162 E C 0.160 176.695 176.600 -0.108 0.000 1.028 162 E CA 0.889 57.279 56.400 -0.016 0.000 0.864 162 E CB -0.792 28.903 29.700 -0.008 0.000 0.813 162 E HN 0.283 nan 8.360 nan 0.000 0.514 163 D N 1.337 121.619 120.400 -0.197 0.000 2.706 163 D HA 0.140 4.776 4.640 -0.008 0.000 0.236 163 D C 1.366 177.117 176.300 -0.915 0.000 1.231 163 D CA 0.213 53.914 54.000 -0.498 0.000 0.828 163 D CB 0.185 40.674 40.800 -0.518 0.000 1.015 163 D HN 0.309 nan 8.370 nan 0.000 0.484 164 G N 0.981 109.501 108.800 -0.467 0.000 2.469 164 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.220 164 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.220 164 G C 1.334 176.005 174.900 -0.382 0.000 1.136 164 G CA 0.536 45.441 45.100 -0.327 0.000 0.759 164 G HN 0.195 nan 8.290 nan 0.000 0.562 165 D N -0.056 120.138 120.400 -0.343 0.000 2.144 165 D HA -0.124 4.511 4.640 -0.008 0.000 0.199 165 D C 2.821 178.880 176.300 -0.401 0.000 0.984 165 D CA 1.744 55.568 54.000 -0.293 0.000 0.834 165 D CB -0.466 40.203 40.800 -0.218 0.000 0.955 165 D HN 0.466 nan 8.370 nan 0.000 0.465 166 T N -1.207 112.980 114.554 -0.611 0.000 2.904 166 T HA -0.160 4.185 4.350 -0.008 0.000 0.267 166 T C 1.910 175.963 174.700 -1.078 0.000 1.059 166 T CA 0.664 62.310 62.100 -0.757 0.000 1.137 166 T CB -0.337 68.094 68.868 -0.729 0.000 0.879 166 T HN -0.014 nan 8.240 nan 0.000 0.467 167 Y N 1.747 121.564 120.300 -0.804 0.000 2.200 167 Y HA 0.233 4.779 4.550 -0.008 0.000 0.290 167 Y C 2.869 178.597 175.900 -0.285 0.000 1.137 167 Y CA 0.315 58.013 58.100 -0.669 0.000 1.163 167 Y CB -0.853 37.415 38.460 -0.320 0.000 0.988 167 Y HN 0.203 nan 8.280 nan 0.000 0.518 168 R N 0.085 120.533 120.500 -0.087 0.000 2.096 168 R HA -0.177 4.158 4.340 -0.008 0.000 0.235 168 R C 2.423 178.751 176.300 0.047 0.000 1.127 168 R CA 1.474 57.572 56.100 -0.005 0.000 0.968 168 R CB -0.304 29.966 30.300 -0.051 0.000 0.861 168 R HN 0.303 nan 8.270 nan 0.000 0.440 169 R N 0.170 120.637 120.500 -0.056 0.000 2.096 169 R HA -0.155 4.181 4.340 -0.008 0.000 0.235 169 R C 1.585 178.081 176.300 0.326 0.000 1.127 169 R CA 1.410 57.554 56.100 0.073 0.000 0.968 169 R CB -0.108 30.160 30.300 -0.052 0.000 0.861 169 R HN 0.228 nan 8.270 nan 0.000 0.440 170 W N 0.172 121.572 121.300 0.167 0.000 2.388 170 W HA -0.059 4.597 4.660 -0.007 0.000 0.294 170 W C 2.081 178.718 176.519 0.197 0.000 1.212 170 W CA 0.258 57.713 57.345 0.182 0.000 1.271 170 W CB -0.976 28.579 29.460 0.158 0.000 1.126 170 W HN -0.022 nan 8.180 nan 0.000 0.535 171 V N -0.659 119.487 119.914 0.387 0.000 2.358 171 V HA -0.270 3.846 4.120 -0.008 0.000 0.246 171 V C 1.912 178.133 176.094 0.213 0.000 1.047 171 V CA 1.877 64.322 62.300 0.243 0.000 1.035 171 V CB -1.139 30.791 31.823 0.178 0.000 0.658 171 V HN 0.214 nan 8.190 nan 0.000 0.452 172 W N 1.206 122.558 121.300 0.087 0.000 2.335 172 W HA -0.260 4.396 4.660 -0.007 0.000 0.311 172 W C 2.433 179.017 176.519 0.108 0.000 1.213 172 W CA 2.359 59.746 57.345 0.070 0.000 1.274 172 W CB -0.372 29.099 29.460 0.018 0.000 1.148 172 W HN 0.193 nan 8.180 nan 0.000 0.498 173 A N 0.229 123.183 122.820 0.223 0.000 1.902 173 A HA -0.171 4.144 4.320 -0.008 0.000 0.217 173 A C 2.031 179.574 177.584 -0.068 0.000 1.181 173 A CA 1.996 54.059 52.037 0.044 0.000 0.623 173 A CB -1.007 18.161 19.000 0.281 0.000 0.818 173 A HN 0.395 nan 8.150 nan 0.000 0.443 174 I N 0.058 120.627 120.570 -0.002 0.000 2.226 174 I HA -0.209 3.956 4.170 -0.008 0.000 0.245 174 I C 2.699 178.553 176.117 -0.438 0.000 1.100 174 I CA 1.905 63.115 61.300 -0.150 0.000 1.374 174 I CB -0.418 37.531 38.000 -0.085 0.000 1.057 174 I HN 0.559 nan 8.210 nan 0.000 0.413 175 T N -3.442 110.824 114.554 -0.479 0.000 3.037 175 T HA 0.094 4.439 4.350 -0.008 0.000 0.252 175 T C 1.113 175.516 174.700 -0.496 0.000 1.073 175 T CA 0.483 62.187 62.100 -0.660 0.000 1.091 175 T CB 0.025 68.589 68.868 -0.507 0.000 0.935 175 T HN 0.312 nan 8.240 nan 0.000 0.488 176 H N 0.389 119.196 119.070 -0.439 0.000 5.260 176 H HA 0.584 5.136 4.556 -0.007 0.000 0.088 176 H C 0.005 174.955 175.328 -0.631 0.000 1.309 176 H CA -0.209 55.558 56.048 -0.469 0.000 0.380 176 H CB -0.167 29.267 29.762 -0.547 0.000 1.656 176 H HN -0.015 nan 8.280 nan 0.000 0.116 177 V N 3.720 123.045 119.914 -0.981 0.000 5.604 177 V HA -0.223 3.892 4.120 -0.008 0.000 0.305 177 V C 0.725 176.621 176.094 -0.329 0.000 0.712 177 V CA 0.676 62.466 62.300 -0.850 0.000 1.117 177 V CB -0.436 30.923 31.823 -0.773 0.000 1.297 177 V HN 0.591 nan 8.190 nan 0.000 0.443 178 E N 1.915 122.010 120.200 -0.175 0.000 2.208 178 E HA -0.074 4.271 4.350 -0.008 0.000 0.193 178 E C 1.199 177.760 176.600 -0.066 0.000 0.988 178 E CA 0.375 56.712 56.400 -0.103 0.000 0.828 178 E CB -0.132 29.543 29.700 -0.043 0.000 0.763 178 E HN 0.834 nan 8.360 nan 0.000 0.478 179 N N 1.726 120.408 118.700 -0.030 0.000 2.420 179 N HA 0.007 4.742 4.740 -0.008 0.000 0.262 179 N C -1.993 173.510 175.510 -0.011 0.000 1.144 179 N CA -1.517 51.532 53.050 -0.001 0.000 0.952 179 N CB 1.610 40.121 38.487 0.040 0.000 1.081 179 N HN -0.242 nan 8.380 nan 0.000 0.480 180 P HA -0.217 nan 4.420 nan 0.000 0.208 180 P C 1.080 178.389 177.300 0.015 0.000 1.180 180 P CA 1.494 64.586 63.100 -0.013 0.000 0.935 180 P CB 0.149 31.843 31.700 -0.011 0.000 0.785 181 E N 0.387 120.603 120.200 0.026 0.000 2.136 181 E HA -0.293 4.052 4.350 -0.008 0.000 0.208 181 E C 1.933 178.572 176.600 0.065 0.000 1.035 181 E CA 2.112 58.539 56.400 0.044 0.000 0.838 181 E CB -1.073 28.652 29.700 0.042 0.000 0.748 181 E HN 0.318 nan 8.360 nan 0.000 0.459 182 E N -0.952 119.289 120.200 0.069 0.000 2.005 182 E HA -0.157 4.188 4.350 -0.008 0.000 0.198 182 E C 2.097 178.765 176.600 0.113 0.000 1.010 182 E CA 1.264 57.727 56.400 0.106 0.000 0.825 182 E CB -0.798 28.976 29.700 0.124 0.000 0.769 182 E HN 0.423 nan 8.360 nan 0.000 0.456 183 G N 0.612 109.446 108.800 0.056 0.000 2.513 183 G HA2 -0.343 3.612 3.960 -0.008 0.000 0.219 183 G HA3 -0.343 3.612 3.960 -0.008 0.000 0.219 183 G C 1.620 176.589 174.900 0.115 0.000 1.160 183 G CA 1.443 46.567 45.100 0.039 0.000 0.767 183 G HN 0.450 nan 8.290 nan 0.000 0.571 184 A N 0.932 123.812 122.820 0.099 0.000 2.015 184 A HA 0.075 4.390 4.320 -0.008 0.000 0.219 184 A C 2.176 179.869 177.584 0.182 0.000 1.163 184 A CA 2.150 54.279 52.037 0.153 0.000 0.646 184 A CB -0.304 18.754 19.000 0.097 0.000 0.806 184 A HN 0.530 nan 8.150 nan 0.000 0.448 185 E N 0.550 120.831 120.200 0.135 0.000 2.076 185 E HA -0.082 4.263 4.350 -0.008 0.000 0.190 185 E C 1.571 178.242 176.600 0.118 0.000 0.979 185 E CA 1.440 57.909 56.400 0.114 0.000 0.807 185 E CB -0.573 29.186 29.700 0.098 0.000 0.761 185 E HN 0.577 nan 8.360 nan 0.000 0.454 186 I N 0.018 120.686 120.570 0.164 0.000 2.353 186 I HA -0.103 4.063 4.170 -0.008 0.000 0.248 186 I C 2.061 178.250 176.117 0.119 0.000 1.119 186 I CA 0.840 62.257 61.300 0.194 0.000 1.417 186 I CB -0.315 37.863 38.000 0.297 0.000 1.078 186 I HN 0.105 nan 8.210 nan 0.000 0.421 187 F N 2.242 122.215 119.950 0.038 0.000 2.171 187 F HA -0.212 4.310 4.527 -0.008 0.000 0.300 187 F C 2.442 178.177 175.800 -0.108 0.000 1.090 187 F CA 1.243 59.224 58.000 -0.032 0.000 1.293 187 F CB -0.381 38.628 39.000 0.016 0.000 1.013 187 F HN 0.003 nan 8.300 nan 0.000 0.486 188 A N 0.132 122.837 122.820 -0.192 0.000 1.978 188 A HA -0.215 4.100 4.320 -0.008 0.000 0.220 188 A C 2.128 179.528 177.584 -0.307 0.000 1.170 188 A CA 1.876 53.774 52.037 -0.231 0.000 0.636 188 A CB -0.846 18.145 19.000 -0.016 0.000 0.810 188 A HN 0.591 nan 8.150 nan 0.000 0.448 189 E N -0.540 119.510 120.200 -0.251 0.000 2.110 189 E HA -0.160 4.186 4.350 -0.008 0.000 0.193 189 E C 2.004 178.249 176.600 -0.592 0.000 0.988 189 E CA 1.087 57.371 56.400 -0.194 0.000 0.804 189 E CB -0.280 29.438 29.700 0.031 0.000 0.745 189 E HN 0.713 nan 8.360 nan 0.000 0.458 190 L N 0.795 121.291 121.223 -1.211 0.000 2.046 190 L HA -0.166 4.170 4.340 -0.008 0.000 0.208 190 L C 2.281 178.537 176.870 -1.025 0.000 1.077 190 L CA 0.981 54.733 54.840 -1.813 0.000 0.747 190 L CB -0.075 41.108 42.059 -1.459 0.000 0.896 190 L HN -0.029 nan 8.230 nan 0.000 0.432 191 V N 0.560 119.935 119.914 -0.898 0.000 2.343 191 V HA -0.287 3.828 4.120 -0.008 0.000 0.247 191 V C 2.910 178.753 176.094 -0.419 0.000 1.051 191 V CA 1.674 63.575 62.300 -0.665 0.000 1.036 191 V CB -1.152 30.325 31.823 -0.577 0.000 0.654 191 V HN 0.627 nan 8.190 nan 0.000 0.451 192 A N -1.032 121.609 122.820 -0.298 0.000 1.883 192 A HA -0.265 4.051 4.320 -0.008 0.000 0.217 192 A C 2.114 179.591 177.584 -0.179 0.000 1.186 192 A CA 1.939 53.876 52.037 -0.168 0.000 0.624 192 A CB -0.858 18.102 19.000 -0.067 0.000 0.822 192 A HN 0.694 nan 8.150 nan 0.000 0.444 193 H N -0.852 118.036 119.070 -0.304 0.000 2.389 193 H HA -0.041 4.510 4.556 -0.008 0.000 0.299 193 H C 2.554 177.641 175.328 -0.402 0.000 1.081 193 H CA 1.094 57.012 56.048 -0.217 0.000 1.345 193 H CB -0.062 29.696 29.762 -0.007 0.000 1.393 193 H HN 0.570 nan 8.280 nan 0.000 0.520 194 A N 1.445 123.929 122.820 -0.560 0.000 1.902 194 A HA -0.174 4.141 4.320 -0.008 0.000 0.217 194 A C 2.434 179.749 177.584 -0.448 0.000 1.181 194 A CA 1.157 52.683 52.037 -0.852 0.000 0.623 194 A CB -0.396 18.056 19.000 -0.914 0.000 0.818 194 A HN 0.300 nan 8.150 nan 0.000 0.443 195 R N -0.965 119.344 120.500 -0.318 0.000 2.081 195 R HA -0.096 4.239 4.340 -0.008 0.000 0.235 195 R C 2.303 178.510 176.300 -0.155 0.000 1.131 195 R CA 1.860 57.842 56.100 -0.197 0.000 0.960 195 R CB -0.696 29.514 30.300 -0.150 0.000 0.856 195 R HN 0.548 nan 8.270 nan 0.000 0.436 196 T N 2.016 116.471 114.554 -0.165 0.000 2.708 196 T HA -0.121 4.225 4.350 -0.008 0.000 0.266 196 T C 1.685 176.326 174.700 -0.098 0.000 1.037 196 T CA 0.932 62.957 62.100 -0.124 0.000 1.146 196 T CB -0.215 68.565 68.868 -0.147 0.000 0.865 196 T HN 0.109 nan 8.240 nan 0.000 0.435 197 L N 1.102 122.251 121.223 -0.123 0.000 2.012 197 L HA -0.068 4.267 4.340 -0.008 0.000 0.210 197 L C 2.291 179.121 176.870 -0.066 0.000 1.073 197 L CA 1.888 56.679 54.840 -0.081 0.000 0.748 197 L CB -0.965 41.019 42.059 -0.124 0.000 0.891 197 L HN 0.329 nan 8.230 nan 0.000 0.431 198 I N 0.302 120.811 120.570 -0.102 0.000 2.163 198 I HA -0.287 3.879 4.170 -0.008 0.000 0.243 198 I C 2.821 178.917 176.117 -0.035 0.000 1.085 198 I CA 1.275 62.541 61.300 -0.057 0.000 1.347 198 I CB -0.546 37.413 38.000 -0.067 0.000 1.044 198 I HN 0.306 nan 8.210 nan 0.000 0.408 199 A N 0.378 123.171 122.820 -0.045 0.000 1.902 199 A HA -0.271 4.044 4.320 -0.008 0.000 0.217 199 A C 2.201 179.774 177.584 -0.018 0.000 1.181 199 A CA 2.075 54.095 52.037 -0.028 0.000 0.623 199 A CB -0.561 18.419 19.000 -0.034 0.000 0.818 199 A HN 0.427 nan 8.150 nan 0.000 0.443 200 E N 0.199 120.387 120.200 -0.020 0.000 2.023 200 E HA -0.206 4.139 4.350 -0.008 0.000 0.196 200 E C 2.121 178.721 176.600 0.001 0.000 1.003 200 E CA 1.562 57.958 56.400 -0.007 0.000 0.809 200 E CB -0.223 29.476 29.700 -0.002 0.000 0.755 200 E HN 0.367 nan 8.360 nan 0.000 0.449 201 R N 0.209 120.711 120.500 0.004 0.000 2.127 201 R HA -0.089 4.246 4.340 -0.008 0.000 0.238 201 R C 2.402 178.706 176.300 0.007 0.000 1.134 201 R CA 1.347 57.453 56.100 0.010 0.000 0.975 201 R CB -0.805 29.505 30.300 0.016 0.000 0.865 201 R HN 0.145 nan 8.270 nan 0.000 0.447 202 R N 0.576 121.078 120.500 0.003 0.000 2.091 202 R HA -0.111 4.225 4.340 -0.008 0.000 0.238 202 R C 2.102 178.405 176.300 0.004 0.000 1.136 202 R CA 2.385 58.487 56.100 0.004 0.000 0.959 202 R CB -0.485 29.816 30.300 0.002 0.000 0.856 202 R HN 0.451 nan 8.270 nan 0.000 0.437 203 T N -3.302 111.254 114.554 0.003 0.000 2.901 203 T HA 0.081 4.426 4.350 -0.008 0.000 0.252 203 T C 0.630 175.333 174.700 0.005 0.000 1.035 203 T CA 0.658 62.760 62.100 0.004 0.000 1.142 203 T CB -0.106 68.763 68.868 0.002 0.000 0.869 203 T HN 0.230 nan 8.240 nan 0.000 0.442 204 N N 2.884 121.588 118.700 0.007 0.000 3.112 204 N HA 0.345 5.080 4.740 -0.008 0.000 0.270 204 N C -2.991 172.526 175.510 0.012 0.000 1.385 204 N CA -1.509 51.546 53.050 0.009 0.000 0.986 204 N CB 1.147 39.641 38.487 0.011 0.000 1.261 204 N HN 0.318 nan 8.380 nan 0.000 0.495 205 P HA 0.043 nan 4.420 nan 0.000 0.268 205 P C 0.346 177.655 177.300 0.014 0.000 1.208 205 P CA 0.055 63.162 63.100 0.011 0.000 0.777 205 P CB 0.878 32.582 31.700 0.008 0.000 0.875 206 G N 1.048 109.859 108.800 0.018 0.000 3.211 206 G HA2 0.285 4.240 3.960 -0.008 0.000 0.262 206 G HA3 0.285 4.240 3.960 -0.008 0.000 0.262 206 G C 0.189 175.100 174.900 0.019 0.000 1.352 206 G CA -0.622 44.491 45.100 0.022 0.000 1.004 206 G HN 0.509 nan 8.290 nan 0.000 0.559 207 N N 0.140 118.856 118.700 0.026 0.000 2.336 207 N HA 0.006 4.741 4.740 -0.008 0.000 0.189 207 N C 0.164 175.695 175.510 0.035 0.000 1.113 207 N CA 0.028 53.092 53.050 0.024 0.000 0.858 207 N CB -0.064 38.435 38.487 0.020 0.000 0.970 207 N HN 0.683 nan 8.380 nan 0.000 0.471 208 D N 0.451 120.875 120.400 0.039 0.000 2.384 208 D HA 0.031 4.666 4.640 -0.008 0.000 0.244 208 D C 1.272 177.571 176.300 -0.002 0.000 1.251 208 D CA -0.522 53.498 54.000 0.033 0.000 0.961 208 D CB 1.519 42.344 40.800 0.041 0.000 1.116 208 D HN -0.061 nan 8.370 nan 0.000 0.484 209 I N -0.547 120.004 120.570 -0.033 0.000 2.315 209 I HA -0.249 3.917 4.170 -0.008 0.000 0.248 209 I C 2.503 178.605 176.117 -0.024 0.000 1.117 209 I CA 0.784 62.051 61.300 -0.054 0.000 1.404 209 I CB -0.189 37.758 38.000 -0.088 0.000 1.071 209 I HN 0.280 nan 8.210 nan 0.000 0.419 210 M N 0.157 119.771 119.600 0.023 0.000 2.086 210 M HA -0.169 4.306 4.480 -0.008 0.000 0.261 210 M C 2.588 178.897 176.300 0.014 0.000 1.067 210 M CA 1.684 57.013 55.300 0.049 0.000 1.116 210 M CB -1.235 31.438 32.600 0.122 0.000 1.348 210 M HN 0.126 nan 8.290 nan 0.000 0.407 211 S N 0.186 115.895 115.700 0.015 0.000 2.370 211 S HA -0.125 4.341 4.470 -0.008 0.000 0.226 211 S C 1.929 176.521 174.600 -0.013 0.000 1.033 211 S CA 0.987 59.191 58.200 0.006 0.000 1.011 211 S CB -0.192 63.014 63.200 0.011 0.000 0.852 211 S HN 0.367 nan 8.310 nan 0.000 0.457 212 R N 1.098 121.581 120.500 -0.027 0.000 2.073 212 R HA -0.062 4.273 4.340 -0.008 0.000 0.234 212 R C 2.564 178.822 176.300 -0.070 0.000 1.134 212 R CA 1.608 57.682 56.100 -0.044 0.000 0.952 212 R CB -1.662 28.607 30.300 -0.052 0.000 0.850 212 R HN 0.582 nan 8.270 nan 0.000 0.433 213 V N -1.148 118.695 119.914 -0.119 0.000 2.515 213 V HA -0.094 4.021 4.120 -0.008 0.000 0.250 213 V C 2.317 178.360 176.094 -0.084 0.000 1.058 213 V CA 1.323 63.510 62.300 -0.189 0.000 1.064 213 V CB -0.715 30.842 31.823 -0.443 0.000 0.675 213 V HN 0.097 nan 8.190 nan 0.000 0.461 214 I N -0.160 120.387 120.570 -0.038 0.000 2.361 214 I HA -0.142 4.023 4.170 -0.008 0.000 0.251 214 I C 2.262 178.382 176.117 0.006 0.000 1.133 214 I CA 1.513 62.813 61.300 0.001 0.000 1.413 214 I CB -0.150 37.855 38.000 0.009 0.000 1.073 214 I HN 0.311 nan 8.210 nan 0.000 0.424 215 M N -0.553 119.044 119.600 -0.006 0.000 2.428 215 M HA 0.160 4.635 4.480 -0.008 0.000 0.239 215 M C 0.902 177.202 176.300 0.000 0.000 1.121 215 M CA 0.300 55.600 55.300 0.000 0.000 1.019 215 M CB -0.643 31.956 32.600 -0.003 0.000 1.485 215 M HN -0.062 nan 8.290 nan 0.000 0.484 216 S N 1.175 116.873 115.700 -0.004 0.000 2.661 216 S HA 0.541 5.006 4.470 -0.008 0.000 0.265 216 S C 0.301 174.917 174.600 0.026 0.000 1.225 216 S CA -0.375 57.826 58.200 0.001 0.000 0.986 216 S CB 1.333 64.523 63.200 -0.018 0.000 1.008 216 S HN 0.246 nan 8.310 nan 0.000 0.565 217 K N 0.416 120.834 120.400 0.029 0.000 2.546 217 K HA 0.506 4.822 4.320 -0.008 0.000 0.264 217 K C -1.573 175.044 176.600 0.028 0.000 0.937 217 K CA -0.432 55.877 56.287 0.037 0.000 0.833 217 K CB 1.683 34.198 32.500 0.024 0.000 1.378 217 K HN 0.404 nan 8.250 nan 0.000 0.432 218 I N 2.148 122.734 120.570 0.027 0.000 2.418 218 I HA 0.161 4.326 4.170 -0.008 0.000 0.287 218 I C -0.801 175.311 176.117 -0.008 0.000 1.008 218 I CA -0.529 60.764 61.300 -0.012 0.000 1.104 218 I CB 1.769 39.733 38.000 -0.061 0.000 1.264 218 I HN 0.695 nan 8.210 nan 0.000 0.438 219 D N 5.261 125.652 120.400 -0.015 0.000 2.699 219 D HA -0.175 4.460 4.640 -0.008 0.000 0.239 219 D C 1.191 177.494 176.300 0.004 0.000 1.136 219 D CA 1.470 55.465 54.000 -0.007 0.000 0.668 219 D CB -1.097 39.698 40.800 -0.008 0.000 1.060 219 D HN 1.131 nan 8.370 nan 0.000 0.429 220 G N -0.696 108.107 108.800 0.005 0.000 2.413 220 G HA2 -0.409 3.546 3.960 -0.008 0.000 0.259 220 G HA3 -0.409 3.546 3.960 -0.008 0.000 0.259 220 G C 0.321 175.231 174.900 0.017 0.000 1.003 220 G CA 1.174 46.280 45.100 0.010 0.000 0.629 220 G HN 0.615 nan 8.290 nan 0.000 0.548 221 E N 1.107 121.320 120.200 0.023 0.000 2.277 221 E HA 0.668 5.014 4.350 -0.008 0.000 0.274 221 E C 0.554 177.182 176.600 0.047 0.000 1.022 221 E CA -0.162 56.258 56.400 0.033 0.000 0.853 221 E CB 0.880 30.602 29.700 0.036 0.000 1.086 221 E HN 0.165 nan 8.360 nan 0.000 0.397 222 S N 2.314 118.043 115.700 0.049 0.000 2.579 222 S HA 0.182 4.647 4.470 -0.008 0.000 0.275 222 S C 0.075 174.730 174.600 0.090 0.000 1.345 222 S CA -0.463 57.773 58.200 0.060 0.000 1.031 222 S CB 0.203 63.432 63.200 0.048 0.000 0.892 222 S HN 0.406 nan 8.310 nan 0.000 0.529 223 L N 2.485 123.777 121.223 0.115 0.000 2.439 223 L HA 0.210 4.545 4.340 -0.008 0.000 0.269 223 L C 1.032 177.982 176.870 0.135 0.000 1.179 223 L CA -0.509 54.432 54.840 0.169 0.000 0.828 223 L CB 0.554 42.747 42.059 0.223 0.000 1.106 223 L HN 0.737 nan 8.230 nan 0.000 0.467 224 S N 0.660 116.447 115.700 0.145 0.000 2.593 224 S HA 0.020 4.485 4.470 -0.008 0.000 0.269 224 S C 0.880 175.548 174.600 0.113 0.000 1.334 224 S CA -0.476 57.793 58.200 0.115 0.000 1.015 224 S CB 1.267 64.537 63.200 0.117 0.000 0.912 224 S HN 0.778 nan 8.310 nan 0.000 0.541 225 E N 0.627 120.882 120.200 0.092 0.000 2.153 225 E HA -0.228 4.117 4.350 -0.008 0.000 0.194 225 E C 0.742 177.402 176.600 0.100 0.000 0.988 225 E CA 1.529 57.974 56.400 0.075 0.000 0.811 225 E CB -0.210 29.522 29.700 0.054 0.000 0.746 225 E HN 0.757 nan 8.360 nan 0.000 0.466 226 D N 0.784 121.285 120.400 0.168 0.000 2.117 226 D HA -0.150 4.486 4.640 -0.008 0.000 0.197 226 D C 1.491 177.902 176.300 0.184 0.000 0.987 226 D CA 1.085 55.260 54.000 0.293 0.000 0.829 226 D CB -0.311 40.674 40.800 0.308 0.000 0.961 226 D HN 0.212 nan 8.370 nan 0.000 0.460 227 D N -0.039 120.435 120.400 0.123 0.000 2.117 227 D HA -0.085 4.550 4.640 -0.008 0.000 0.197 227 D C 2.313 178.685 176.300 0.121 0.000 0.987 227 D CA 0.444 54.469 54.000 0.042 0.000 0.829 227 D CB -0.255 40.611 40.800 0.110 0.000 0.961 227 D HN 0.236 nan 8.370 nan 0.000 0.460 228 L N 0.220 121.550 121.223 0.179 0.000 2.056 228 L HA -0.103 4.233 4.340 -0.008 0.000 0.207 228 L C 2.486 179.444 176.870 0.148 0.000 1.078 228 L CA 0.655 55.626 54.840 0.218 0.000 0.749 228 L CB -0.333 41.801 42.059 0.124 0.000 0.901 228 L HN 0.002 nan 8.230 nan 0.000 0.433 229 I N 0.109 120.678 120.570 -0.001 0.000 2.286 229 I HA -0.205 3.960 4.170 -0.008 0.000 0.248 229 I C 2.624 178.712 176.117 -0.047 0.000 1.115 229 I CA 1.394 62.610 61.300 -0.140 0.000 1.392 229 I CB -0.745 36.949 38.000 -0.510 0.000 1.065 229 I HN 0.261 nan 8.210 nan 0.000 0.418 230 G N 0.358 109.130 108.800 -0.045 0.000 2.418 230 G HA2 -0.244 3.711 3.960 -0.008 0.000 0.217 230 G HA3 -0.244 3.711 3.960 -0.008 0.000 0.217 230 G C 1.582 176.426 174.900 -0.094 0.000 1.158 230 G CA 0.578 45.632 45.100 -0.076 0.000 0.771 230 G HN 0.260 nan 8.290 nan 0.000 0.545 231 F N -0.384 119.572 119.950 0.010 0.000 2.113 231 F HA 0.076 4.598 4.527 -0.008 0.000 0.297 231 F C 2.280 178.125 175.800 0.074 0.000 1.103 231 F CA 1.099 59.116 58.000 0.029 0.000 1.248 231 F CB -0.358 38.669 39.000 0.045 0.000 0.999 231 F HN 0.146 nan 8.300 nan 0.000 0.475 232 F N 1.015 121.061 119.950 0.161 0.000 2.120 232 F HA -0.287 4.235 4.527 -0.008 0.000 0.300 232 F C 2.362 178.200 175.800 0.063 0.000 1.095 232 F CA 2.229 60.278 58.000 0.081 0.000 1.249 232 F CB -0.906 38.096 39.000 0.005 0.000 0.995 232 F HN -0.154 nan 8.300 nan 0.000 0.480 233 T N 0.780 115.439 114.554 0.175 0.000 2.701 233 T HA -0.184 4.161 4.350 -0.008 0.000 0.263 233 T C 1.877 176.598 174.700 0.036 0.000 1.040 233 T CA 1.598 63.768 62.100 0.117 0.000 1.147 233 T CB -0.549 68.454 68.868 0.225 0.000 0.865 233 T HN 0.259 nan 8.240 nan 0.000 0.426 234 I N 0.989 121.573 120.570 0.024 0.000 2.286 234 I HA -0.021 4.144 4.170 -0.008 0.000 0.248 234 I C 1.942 178.050 176.117 -0.015 0.000 1.115 234 I CA 1.095 62.396 61.300 0.003 0.000 1.392 234 I CB -0.381 37.593 38.000 -0.043 0.000 1.065 234 I HN 0.207 nan 8.210 nan 0.000 0.418 235 L N -1.022 120.195 121.223 -0.011 0.000 2.109 235 L HA -0.151 4.185 4.340 -0.008 0.000 0.207 235 L C 2.359 179.174 176.870 -0.091 0.000 1.086 235 L CA 0.738 55.566 54.840 -0.020 0.000 0.760 235 L CB -0.655 41.450 42.059 0.075 0.000 0.910 235 L HN 0.300 nan 8.230 nan 0.000 0.437 236 L N -0.322 120.778 121.223 -0.205 0.000 2.056 236 L HA -0.167 4.168 4.340 -0.008 0.000 0.207 236 L C 2.298 179.127 176.870 -0.069 0.000 1.078 236 L CA 1.578 56.278 54.840 -0.233 0.000 0.749 236 L CB -0.331 41.483 42.059 -0.408 0.000 0.901 236 L HN 0.079 nan 8.230 nan 0.000 0.433 237 L N -0.874 120.344 121.223 -0.008 0.000 1.989 237 L HA -0.170 4.165 4.340 -0.008 0.000 0.211 237 L C 2.452 179.342 176.870 0.033 0.000 1.071 237 L CA 1.581 56.453 54.840 0.053 0.000 0.749 237 L CB -1.273 40.851 42.059 0.108 0.000 0.890 237 L HN 0.476 nan 8.230 nan 0.000 0.431 238 G N -0.712 108.090 108.800 0.004 0.000 2.480 238 G HA2 -0.247 3.709 3.960 -0.008 0.000 0.216 238 G HA3 -0.247 3.709 3.960 -0.008 0.000 0.216 238 G C 1.511 176.400 174.900 -0.019 0.000 1.200 238 G CA 0.747 45.836 45.100 -0.019 0.000 0.782 238 G HN 0.518 nan 8.290 nan 0.000 0.554 239 G N 0.265 109.051 108.800 -0.023 0.000 2.462 239 G HA2 -0.093 3.862 3.960 -0.008 0.000 0.220 239 G HA3 -0.093 3.862 3.960 -0.008 0.000 0.220 239 G C 1.636 176.537 174.900 0.001 0.000 1.121 239 G CA 0.860 45.957 45.100 -0.005 0.000 0.758 239 G HN 0.479 nan 8.290 nan 0.000 0.559 240 I N -1.057 119.515 120.570 0.003 0.000 4.032 240 I HA 0.139 4.305 4.170 -0.008 0.000 0.313 240 I C 1.950 178.083 176.117 0.026 0.000 1.272 240 I CA 0.162 61.472 61.300 0.018 0.000 1.307 240 I CB 0.386 38.402 38.000 0.026 0.000 1.155 240 I HN -0.006 nan 8.210 nan 0.000 0.431 241 D N 1.456 121.877 120.400 0.035 0.000 2.121 241 D HA -0.037 4.599 4.640 -0.008 0.000 0.209 241 D C 2.217 178.533 176.300 0.027 0.000 0.981 241 D CA 1.709 55.732 54.000 0.038 0.000 0.875 241 D CB 0.021 40.857 40.800 0.061 0.000 1.016 241 D HN 0.146 nan 8.370 nan 0.000 0.452 242 A N -0.221 122.619 122.820 0.035 0.000 1.940 242 A HA -0.180 4.135 4.320 -0.008 0.000 0.219 242 A C 2.292 179.912 177.584 0.060 0.000 1.176 242 A CA 3.111 55.169 52.037 0.035 0.000 0.631 242 A CB -1.416 17.598 19.000 0.024 0.000 0.814 242 A HN 0.520 nan 8.150 nan 0.000 0.446 243 T N -1.780 112.805 114.554 0.052 0.000 2.708 243 T HA -0.037 4.308 4.350 -0.008 0.000 0.266 243 T C 1.981 176.726 174.700 0.075 0.000 1.037 243 T CA 1.899 64.051 62.100 0.086 0.000 1.146 243 T CB -0.776 68.123 68.868 0.051 0.000 0.865 243 T HN 0.634 nan 8.240 nan 0.000 0.435 244 A N 2.019 124.853 122.820 0.024 0.000 1.933 244 A HA -0.040 4.276 4.320 -0.008 0.000 0.218 244 A C 2.615 180.169 177.584 -0.050 0.000 1.175 244 A CA 1.091 53.119 52.037 -0.015 0.000 0.628 244 A CB -0.481 18.504 19.000 -0.024 0.000 0.814 244 A HN 0.363 nan 8.150 nan 0.000 0.444 245 R N -1.434 119.037 120.500 -0.048 0.000 2.092 245 R HA -0.053 4.282 4.340 -0.008 0.000 0.231 245 R C 1.972 178.225 176.300 -0.078 0.000 1.119 245 R CA 1.351 57.377 56.100 -0.122 0.000 0.970 245 R CB -1.138 29.069 30.300 -0.155 0.000 0.864 245 R HN 0.695 nan 8.270 nan 0.000 0.440 246 F N 1.578 121.458 119.950 -0.116 0.000 2.075 246 F HA -0.147 4.376 4.527 -0.007 0.000 0.297 246 F C 2.081 177.795 175.800 -0.143 0.000 1.113 246 F CA 1.299 59.249 58.000 -0.082 0.000 1.218 246 F CB -0.194 38.781 39.000 -0.042 0.000 0.984 246 F HN -0.135 nan 8.300 nan 0.000 0.472 247 L N -0.285 120.728 121.223 -0.351 0.000 2.079 247 L HA -0.242 4.093 4.340 -0.008 0.000 0.210 247 L C 2.558 179.127 176.870 -0.502 0.000 1.081 247 L CA 1.342 55.822 54.840 -0.598 0.000 0.752 247 L CB -0.961 40.886 42.059 -0.354 0.000 0.896 247 L HN 0.151 nan 8.230 nan 0.000 0.433 248 S N -0.588 114.979 115.700 -0.222 0.000 2.356 248 S HA -0.178 4.287 4.470 -0.008 0.000 0.223 248 S C 2.215 176.748 174.600 -0.112 0.000 1.032 248 S CA 1.652 59.803 58.200 -0.082 0.000 1.005 248 S CB -0.148 62.981 63.200 -0.119 0.000 0.867 248 S HN 0.364 nan 8.310 nan 0.000 0.449 249 S N 0.931 116.484 115.700 -0.244 0.000 2.382 249 S HA -0.050 4.416 4.470 -0.008 0.000 0.228 249 S C 1.972 176.349 174.600 -0.371 0.000 1.027 249 S CA 0.905 58.949 58.200 -0.261 0.000 0.991 249 S CB -0.313 62.717 63.200 -0.285 0.000 0.823 249 S HN 0.316 nan 8.310 nan 0.000 0.469 250 V N 0.951 120.530 119.914 -0.559 0.000 2.427 250 V HA -0.128 3.987 4.120 -0.008 0.000 0.248 250 V C 1.785 177.678 176.094 -0.335 0.000 1.051 250 V CA 1.577 63.536 62.300 -0.568 0.000 1.048 250 V CB -0.779 30.546 31.823 -0.831 0.000 0.666 250 V HN 0.480 nan 8.190 nan 0.000 0.456 251 F N -1.339 118.479 119.950 -0.220 0.000 2.146 251 F HA -0.201 4.322 4.527 -0.006 0.000 0.298 251 F C 2.259 178.099 175.800 0.067 0.000 1.096 251 F CA 1.804 59.712 58.000 -0.153 0.000 1.275 251 F CB -0.384 38.435 39.000 -0.302 0.000 1.008 251 F HN 0.278 nan 8.300 nan 0.000 0.480 252 W N 1.680 123.038 121.300 0.097 0.000 2.335 252 W HA -0.255 4.401 4.660 -0.008 0.000 0.311 252 W C 2.675 179.267 176.519 0.123 0.000 1.213 252 W CA 1.904 59.346 57.345 0.161 0.000 1.274 252 W CB -0.386 29.163 29.460 0.149 0.000 1.148 252 W HN -0.168 nan 8.180 nan 0.000 0.498 253 R N 0.574 121.085 120.500 0.018 0.000 2.073 253 R HA -0.133 4.202 4.340 -0.008 0.000 0.234 253 R C 2.206 178.078 176.300 -0.713 0.000 1.134 253 R CA 2.267 58.066 56.100 -0.503 0.000 0.952 253 R CB -1.134 29.038 30.300 -0.212 0.000 0.850 253 R HN 0.382 nan 8.270 nan 0.000 0.433 254 L N -0.031 121.017 121.223 -0.291 0.000 2.362 254 L HA 0.011 4.347 4.340 -0.008 0.000 0.219 254 L C 2.327 179.019 176.870 -0.296 0.000 1.134 254 L CA 0.890 55.608 54.840 -0.203 0.000 0.807 254 L CB -0.461 41.673 42.059 0.125 0.000 0.927 254 L HN 0.327 nan 8.230 nan 0.000 0.447 255 A N 0.535 123.265 122.820 -0.150 0.000 1.929 255 A HA -0.169 4.146 4.320 -0.008 0.000 0.216 255 A C 2.039 179.474 177.584 -0.248 0.000 1.176 255 A CA 1.346 53.278 52.037 -0.175 0.000 0.628 255 A CB -0.507 18.640 19.000 0.246 0.000 0.816 255 A HN 0.721 nan 8.150 nan 0.000 0.444 256 W N -1.389 119.711 121.300 -0.332 0.000 2.915 256 W HA 0.255 4.909 4.660 -0.009 0.000 0.276 256 W C -0.438 175.934 176.519 -0.244 0.000 1.215 256 W CA 0.431 57.598 57.345 -0.297 0.000 1.514 256 W CB -0.214 29.031 29.460 -0.358 0.000 1.017 256 W HN 0.259 nan 8.180 nan 0.000 0.598 257 D N 3.673 123.499 120.400 -0.958 0.000 2.517 257 D HA 0.070 4.705 4.640 -0.008 0.000 0.220 257 D C 1.729 177.784 176.300 -0.409 0.000 1.158 257 D CA -0.084 53.407 54.000 -0.848 0.000 0.992 257 D CB -0.235 39.794 40.800 -1.285 0.000 1.058 257 D HN 0.353 nan 8.370 nan 0.000 0.516 258 I N -0.440 119.999 120.570 -0.218 0.000 2.454 258 I HA -0.132 4.034 4.170 -0.008 0.000 0.254 258 I C 1.807 177.846 176.117 -0.130 0.000 1.156 258 I CA 0.821 62.021 61.300 -0.167 0.000 1.433 258 I CB -0.078 37.863 38.000 -0.098 0.000 1.082 258 I HN 0.203 nan 8.210 nan 0.000 0.432 259 E N 1.503 121.634 120.200 -0.116 0.000 2.028 259 E HA -0.232 4.114 4.350 -0.008 0.000 0.191 259 E C 2.234 178.778 176.600 -0.095 0.000 0.988 259 E CA 1.328 57.680 56.400 -0.081 0.000 0.799 259 E CB -0.071 29.595 29.700 -0.055 0.000 0.755 259 E HN 0.504 nan 8.360 nan 0.000 0.447 260 L N 1.572 122.706 121.223 -0.149 0.000 2.017 260 L HA -0.169 4.167 4.340 -0.008 0.000 0.208 260 L C 2.499 179.306 176.870 -0.105 0.000 1.073 260 L CA 1.868 56.627 54.840 -0.135 0.000 0.745 260 L CB -0.547 41.390 42.059 -0.204 0.000 0.894 260 L HN 0.038 nan 8.230 nan 0.000 0.432 261 R N -0.006 120.410 120.500 -0.141 0.000 2.091 261 R HA -0.224 4.112 4.340 -0.008 0.000 0.238 261 R C 2.504 178.773 176.300 -0.052 0.000 1.136 261 R CA 1.959 58.005 56.100 -0.091 0.000 0.959 261 R CB -0.285 29.928 30.300 -0.144 0.000 0.856 261 R HN 0.617 nan 8.270 nan 0.000 0.437 262 R N -0.127 120.336 120.500 -0.062 0.000 2.115 262 R HA -0.086 4.249 4.340 -0.008 0.000 0.230 262 R C 2.051 178.330 176.300 -0.035 0.000 1.111 262 R CA 1.283 57.356 56.100 -0.046 0.000 0.976 262 R CB -0.384 29.888 30.300 -0.046 0.000 0.870 262 R HN 0.170 nan 8.270 nan 0.000 0.445 263 R N 0.808 121.302 120.500 -0.011 0.000 2.092 263 R HA 0.055 4.391 4.340 -0.008 0.000 0.231 263 R C 2.364 178.697 176.300 0.055 0.000 1.119 263 R CA 1.351 57.479 56.100 0.047 0.000 0.970 263 R CB -0.307 30.038 30.300 0.075 0.000 0.864 263 R HN 0.251 nan 8.270 nan 0.000 0.440 264 L N 0.311 121.551 121.223 0.028 0.000 2.141 264 L HA -0.124 4.211 4.340 -0.008 0.000 0.209 264 L C 2.263 179.144 176.870 0.018 0.000 1.094 264 L CA 1.088 55.950 54.840 0.038 0.000 0.763 264 L CB -0.311 41.765 42.059 0.028 0.000 0.908 264 L HN 0.205 nan 8.230 nan 0.000 0.437 265 I N -0.056 120.510 120.570 -0.007 0.000 2.353 265 I HA -0.194 3.971 4.170 -0.008 0.000 0.248 265 I C 2.685 178.757 176.117 -0.075 0.000 1.119 265 I CA 1.022 62.308 61.300 -0.024 0.000 1.417 265 I CB -0.291 37.697 38.000 -0.021 0.000 1.078 265 I HN 0.160 nan 8.210 nan 0.000 0.421 266 A N -0.729 122.005 122.820 -0.143 0.000 2.067 266 A HA -0.078 4.237 4.320 -0.008 0.000 0.217 266 A C 0.986 178.268 177.584 -0.504 0.000 1.156 266 A CA 1.076 52.918 52.037 -0.325 0.000 0.683 266 A CB -0.249 18.496 19.000 -0.424 0.000 0.808 266 A HN 0.416 nan 8.150 nan 0.000 0.455 267 H N -0.881 118.190 119.070 0.002 0.000 2.379 267 H HA 0.186 4.738 4.556 -0.007 0.000 0.229 267 H C -2.040 173.293 175.328 0.008 0.000 1.423 267 H CA -1.610 54.441 56.048 0.005 0.000 1.375 267 H CB 0.391 30.155 29.762 0.004 0.000 1.592 267 H HN 0.330 nan 8.280 nan 0.000 0.507 268 P HA -0.231 nan 4.420 nan 0.000 0.218 268 P C 1.433 178.774 177.300 0.068 0.000 1.146 268 P CA 1.273 64.407 63.100 0.058 0.000 0.820 268 P CB 0.427 32.147 31.700 0.034 0.000 0.778 269 E N 0.699 120.949 120.200 0.083 0.000 2.333 269 E HA -0.136 4.210 4.350 -0.008 0.000 0.198 269 E C 1.796 178.431 176.600 0.059 0.000 1.007 269 E CA 0.804 57.243 56.400 0.066 0.000 0.845 269 E CB -0.994 28.745 29.700 0.065 0.000 0.766 269 E HN 0.346 nan 8.360 nan 0.000 0.507 270 L N 0.516 121.783 121.223 0.073 0.000 2.592 270 L HA 0.170 4.505 4.340 -0.008 0.000 0.227 270 L C 2.351 179.252 176.870 0.051 0.000 1.127 270 L CA -0.102 54.768 54.840 0.051 0.000 0.884 270 L CB -0.176 41.909 42.059 0.044 0.000 1.065 270 L HN 0.027 nan 8.230 nan 0.000 0.457 271 I N 0.824 121.426 120.570 0.054 0.000 2.208 271 I HA -0.212 3.954 4.170 -0.008 0.000 0.245 271 I C -0.289 175.856 176.117 0.048 0.000 1.097 271 I CA 1.490 62.818 61.300 0.046 0.000 1.363 271 I CB -1.264 36.760 38.000 0.041 0.000 1.051 271 I HN 0.214 nan 8.210 nan 0.000 0.413 272 P HA -0.140 nan 4.420 nan 0.000 0.215 272 P C 1.197 178.534 177.300 0.063 0.000 1.153 272 P CA 1.532 64.664 63.100 0.053 0.000 0.853 272 P CB -0.061 31.671 31.700 0.052 0.000 0.788 273 N N -0.948 117.787 118.700 0.058 0.000 2.188 273 N HA -0.108 4.627 4.740 -0.008 0.000 0.184 273 N C 1.605 177.155 175.510 0.067 0.000 1.018 273 N CA 1.266 54.353 53.050 0.062 0.000 0.858 273 N CB -0.659 37.856 38.487 0.047 0.000 0.989 273 N HN -0.045 nan 8.380 nan 0.000 0.426 274 A N -0.310 122.545 122.820 0.058 0.000 1.930 274 A HA -0.041 4.274 4.320 -0.008 0.000 0.217 274 A C 2.315 179.951 177.584 0.086 0.000 1.175 274 A CA 1.073 53.143 52.037 0.055 0.000 0.627 274 A CB -0.735 18.288 19.000 0.037 0.000 0.815 274 A HN 0.142 nan 8.150 nan 0.000 0.443 275 V N 0.502 120.474 119.914 0.096 0.000 2.332 275 V HA -0.271 3.845 4.120 -0.008 0.000 0.248 275 V C 2.259 178.447 176.094 0.157 0.000 1.055 275 V CA 2.333 64.725 62.300 0.153 0.000 1.038 275 V CB -0.672 31.225 31.823 0.123 0.000 0.651 275 V HN 0.562 nan 8.190 nan 0.000 0.450 276 D N -0.586 119.885 120.400 0.118 0.000 2.117 276 D HA -0.201 4.434 4.640 -0.008 0.000 0.197 276 D C 2.201 178.546 176.300 0.075 0.000 0.987 276 D CA 1.642 55.721 54.000 0.131 0.000 0.829 276 D CB 0.159 41.060 40.800 0.168 0.000 0.961 276 D HN 0.487 nan 8.370 nan 0.000 0.460 277 E N 0.816 121.069 120.200 0.089 0.000 2.106 277 E HA -0.098 4.247 4.350 -0.008 0.000 0.192 277 E C 2.309 178.961 176.600 0.087 0.000 0.984 277 E CA 0.651 57.088 56.400 0.061 0.000 0.806 277 E CB -0.375 29.352 29.700 0.044 0.000 0.750 277 E HN 0.255 nan 8.360 nan 0.000 0.458 278 L N -0.088 121.240 121.223 0.175 0.000 2.141 278 L HA -0.112 4.223 4.340 -0.008 0.000 0.209 278 L C 2.420 179.579 176.870 0.481 0.000 1.094 278 L CA 0.661 55.727 54.840 0.375 0.000 0.763 278 L CB -0.274 42.004 42.059 0.365 0.000 0.908 278 L HN 0.226 nan 8.230 nan 0.000 0.437 279 L N -0.604 120.699 121.223 0.134 0.000 2.056 279 L HA -0.209 4.126 4.340 -0.008 0.000 0.207 279 L C 2.831 179.454 176.870 -0.413 0.000 1.078 279 L CA 1.114 55.751 54.840 -0.337 0.000 0.749 279 L CB -0.409 41.314 42.059 -0.559 0.000 0.901 279 L HN 0.254 nan 8.230 nan 0.000 0.433 280 R N -0.423 119.781 120.500 -0.494 0.000 2.081 280 R HA -0.219 4.117 4.340 -0.008 0.000 0.235 280 R C 2.293 178.518 176.300 -0.125 0.000 1.131 280 R CA 1.741 57.603 56.100 -0.397 0.000 0.960 280 R CB -0.256 29.885 30.300 -0.266 0.000 0.856 280 R HN 0.226 nan 8.270 nan 0.000 0.436 281 F N -0.858 118.989 119.950 -0.173 0.000 2.270 281 F HA -0.040 4.482 4.527 -0.008 0.000 0.295 281 F C 0.732 176.377 175.800 -0.258 0.000 1.087 281 F CA 0.871 58.718 58.000 -0.256 0.000 1.365 281 F CB 0.365 39.183 39.000 -0.304 0.000 1.056 281 F HN 0.007 nan 8.300 nan 0.000 0.506 282 Y N -0.059 120.508 120.300 0.445 0.000 2.636 282 Y HA 0.347 4.892 4.550 -0.007 0.000 0.260 282 Y C 1.140 177.275 175.900 0.391 0.000 1.177 282 Y CA -0.615 57.792 58.100 0.512 0.000 1.209 282 Y CB -0.259 38.545 38.460 0.574 0.000 1.166 282 Y HN -0.115 nan 8.280 nan 0.000 0.531 283 G N 2.124 111.075 108.800 0.250 0.000 2.192 283 G HA2 0.048 4.004 3.960 -0.008 0.000 0.258 283 G HA3 0.048 4.004 3.960 -0.008 0.000 0.258 283 G C -1.672 173.332 174.900 0.173 0.000 1.185 283 G CA -0.615 44.531 45.100 0.077 0.000 0.976 283 G HN 0.189 nan 8.290 nan 0.000 0.446 284 P HA 0.034 nan 4.420 nan 0.000 0.223 284 P C 1.047 178.397 177.300 0.085 0.000 1.151 284 P CA 1.157 64.330 63.100 0.123 0.000 0.787 284 P CB 0.369 32.107 31.700 0.063 0.000 0.788 285 A N -0.107 122.766 122.820 0.089 0.000 2.316 285 A HA 0.632 4.947 4.320 -0.008 0.000 0.284 285 A C -0.083 177.548 177.584 0.078 0.000 1.115 285 A CA -0.050 52.041 52.037 0.090 0.000 0.812 285 A CB 0.102 19.183 19.000 0.134 0.000 1.064 285 A HN -0.066 nan 8.150 nan 0.000 0.489 286 M N 2.206 121.725 119.600 -0.134 0.000 2.326 286 M HA 0.468 4.943 4.480 -0.008 0.000 0.292 286 M C -1.242 174.807 176.300 -0.418 0.000 1.081 286 M CA -0.539 54.505 55.300 -0.427 0.000 0.919 286 M CB 2.108 34.344 32.600 -0.607 0.000 1.634 286 M HN 0.484 nan 8.290 nan 0.000 0.451 287 V N 1.613 121.189 119.914 -0.563 0.000 2.914 287 V HA 0.958 5.073 4.120 -0.008 0.000 0.314 287 V C -0.313 175.570 176.094 -0.352 0.000 1.084 287 V CA -0.226 61.850 62.300 -0.374 0.000 0.963 287 V CB 2.424 34.117 31.823 -0.218 0.000 1.025 287 V HN 0.962 nan 8.190 nan 0.000 0.432 288 G N 3.739 112.385 108.800 -0.257 0.000 2.471 288 G HA2 0.773 4.729 3.960 -0.008 0.000 0.332 288 G HA3 0.773 4.729 3.960 -0.008 0.000 0.332 288 G C -1.185 173.616 174.900 -0.165 0.000 1.176 288 G CA -0.693 44.280 45.100 -0.212 0.000 0.949 288 G HN 0.554 nan 8.290 nan 0.000 0.488 289 R N -0.416 120.013 120.500 -0.118 0.000 2.604 289 R HA 0.333 4.668 4.340 -0.008 0.000 0.281 289 R C -1.516 174.805 176.300 0.036 0.000 1.020 289 R CA -0.921 55.171 56.100 -0.013 0.000 0.899 289 R CB 1.918 32.258 30.300 0.065 0.000 1.205 289 R HN 0.460 nan 8.270 nan 0.000 0.450 290 L N 2.661 123.906 121.223 0.036 0.000 2.276 290 L HA 0.342 4.678 4.340 -0.008 0.000 0.286 290 L C -0.548 176.353 176.870 0.051 0.000 1.061 290 L CA -0.356 54.498 54.840 0.023 0.000 0.807 290 L CB 1.423 43.482 42.059 -0.001 0.000 1.177 290 L HN 0.328 nan 8.230 nan 0.000 0.429 291 V N 4.902 124.840 119.914 0.039 0.000 2.508 291 V HA 0.149 4.264 4.120 -0.008 0.000 0.281 291 V C 1.371 177.410 176.094 -0.091 0.000 1.041 291 V CA 0.601 62.850 62.300 -0.086 0.000 1.016 291 V CB 0.710 32.511 31.823 -0.037 0.000 0.984 291 V HN 1.010 nan 8.190 nan 0.000 0.478 292 T N 1.237 115.699 114.554 -0.154 0.000 3.022 292 T HA 0.212 4.557 4.350 -0.008 0.000 0.250 292 T C 0.345 174.986 174.700 -0.099 0.000 1.060 292 T CA 0.161 62.203 62.100 -0.096 0.000 1.013 292 T CB 0.103 68.924 68.868 -0.078 0.000 0.982 292 T HN 0.791 nan 8.240 nan 0.000 0.508 293 Q N -0.576 119.137 119.800 -0.146 0.000 2.575 293 Q HA 0.434 4.769 4.340 -0.008 0.000 0.290 293 Q C -1.374 174.542 176.000 -0.141 0.000 0.963 293 Q CA -1.101 54.633 55.803 -0.115 0.000 0.783 293 Q CB 0.995 29.671 28.738 -0.104 0.000 1.467 293 Q HN 0.214 nan 8.270 nan 0.000 0.402 294 E N 0.550 120.693 120.200 -0.094 0.000 2.452 294 E HA 0.266 4.611 4.350 -0.008 0.000 0.261 294 E C -1.402 175.123 176.600 -0.126 0.000 0.987 294 E CA -0.003 56.345 56.400 -0.088 0.000 0.926 294 E CB 1.099 30.766 29.700 -0.056 0.000 0.934 294 E HN 0.401 nan 8.360 nan 0.000 0.452 295 V N 3.537 123.366 119.914 -0.143 0.000 2.969 295 V HA 0.347 4.463 4.120 -0.008 0.000 0.304 295 V C -1.212 174.818 176.094 -0.107 0.000 1.192 295 V CA -0.434 61.776 62.300 -0.150 0.000 0.962 295 V CB 2.720 34.369 31.823 -0.290 0.000 1.045 295 V HN 0.723 nan 8.190 nan 0.000 0.428 296 T N 5.339 119.849 114.554 -0.073 0.000 2.779 296 T HA 0.686 5.031 4.350 -0.008 0.000 0.280 296 T C -0.902 173.766 174.700 -0.052 0.000 0.987 296 T CA -0.335 61.717 62.100 -0.080 0.000 0.966 296 T CB 1.365 70.190 68.868 -0.071 0.000 0.933 296 T HN 0.659 nan 8.240 nan 0.000 0.442 297 V N 3.164 123.027 119.914 -0.085 0.000 2.443 297 V HA 0.747 4.863 4.120 -0.008 0.000 0.293 297 V C 0.946 176.973 176.094 -0.112 0.000 1.021 297 V CA -0.151 62.109 62.300 -0.067 0.000 0.848 297 V CB 0.590 32.376 31.823 -0.061 0.000 0.998 297 V HN 1.224 nan 8.190 nan 0.000 0.424 298 G N 4.806 113.558 108.800 -0.081 0.000 2.583 298 G HA2 -0.268 3.688 3.960 -0.008 0.000 0.292 298 G HA3 -0.268 3.688 3.960 -0.008 0.000 0.292 298 G C 0.312 175.156 174.900 -0.093 0.000 1.203 298 G CA 0.630 45.681 45.100 -0.082 0.000 0.987 298 G HN 0.652 nan 8.290 nan 0.000 0.554 299 D N 0.476 120.814 120.400 -0.103 0.000 2.349 299 D HA 0.244 4.879 4.640 -0.008 0.000 0.224 299 D C 0.748 176.969 176.300 -0.133 0.000 1.029 299 D CA 0.598 54.540 54.000 -0.097 0.000 0.879 299 D CB 0.184 40.937 40.800 -0.078 0.000 0.906 299 D HN 0.256 nan 8.370 nan 0.000 0.528 300 I N 0.194 120.639 120.570 -0.208 0.000 2.441 300 I HA 0.161 4.326 4.170 -0.008 0.000 0.295 300 I C 0.119 176.045 176.117 -0.319 0.000 0.994 300 I CA -0.397 60.701 61.300 -0.337 0.000 1.144 300 I CB 2.128 39.744 38.000 -0.640 0.000 1.314 300 I HN -0.379 nan 8.210 nan 0.000 0.445 301 T N 7.112 121.505 114.554 -0.268 0.000 2.772 301 T HA 0.582 4.927 4.350 -0.008 0.000 0.288 301 T C -0.034 174.568 174.700 -0.164 0.000 0.994 301 T CA -0.538 61.459 62.100 -0.172 0.000 0.951 301 T CB 0.589 69.408 68.868 -0.081 0.000 0.933 301 T HN 0.328 nan 8.240 nan 0.000 0.447 302 M N 2.760 122.261 119.600 -0.165 0.000 2.444 302 M HA 0.494 4.969 4.480 -0.008 0.000 0.319 302 M C 0.150 176.489 176.300 0.065 0.000 1.183 302 M CA -0.749 54.549 55.300 -0.003 0.000 1.032 302 M CB 1.446 34.002 32.600 -0.072 0.000 1.569 302 M HN 0.299 nan 8.290 nan 0.000 0.468 303 K N 1.114 121.620 120.400 0.177 0.000 2.221 303 K HA 0.564 4.879 4.320 -0.008 0.000 0.243 303 K C -2.648 173.997 176.600 0.074 0.000 0.968 303 K CA -1.888 54.454 56.287 0.092 0.000 0.846 303 K CB 1.078 33.638 32.500 0.100 0.000 1.141 303 K HN 0.226 nan 8.250 nan 0.000 0.434 304 P HA -0.053 nan 4.420 nan 0.000 0.265 304 P C 0.525 177.852 177.300 0.045 0.000 1.193 304 P CA 0.973 64.079 63.100 0.010 0.000 0.765 304 P CB 0.495 32.190 31.700 -0.008 0.000 0.823 305 G N 1.228 110.053 108.800 0.042 0.000 2.217 305 G HA2 -0.240 3.716 3.960 -0.008 0.000 0.246 305 G HA3 -0.240 3.716 3.960 -0.008 0.000 0.246 305 G C 0.174 175.129 174.900 0.092 0.000 0.990 305 G CA -0.298 44.838 45.100 0.060 0.000 0.627 305 G HN 0.564 nan 8.290 nan 0.000 0.522 306 Q N 0.524 120.406 119.800 0.136 0.000 2.312 306 Q HA 0.571 4.906 4.340 -0.008 0.000 0.236 306 Q C -0.276 175.800 176.000 0.126 0.000 0.965 306 Q CA 0.329 56.254 55.803 0.203 0.000 0.894 306 Q CB 0.973 29.948 28.738 0.395 0.000 1.225 306 Q HN 0.224 nan 8.270 nan 0.000 0.478 307 T N 0.709 115.274 114.554 0.018 0.000 2.855 307 T HA 0.607 4.953 4.350 -0.008 0.000 0.281 307 T C -1.082 173.628 174.700 0.017 0.000 1.007 307 T CA -0.620 61.369 62.100 -0.184 0.000 1.009 307 T CB 1.393 69.719 68.868 -0.903 0.000 0.983 307 T HN 0.619 nan 8.240 nan 0.000 0.455 308 A N 3.936 126.791 122.820 0.059 0.000 2.318 308 A HA 0.753 5.068 4.320 -0.008 0.000 0.317 308 A C -0.380 177.210 177.584 0.010 0.000 1.159 308 A CA -0.765 51.361 52.037 0.148 0.000 0.799 308 A CB 0.632 19.712 19.000 0.134 0.000 1.194 308 A HN 0.653 nan 8.150 nan 0.000 0.479 309 M N 2.973 122.649 119.600 0.127 0.000 2.157 309 M HA 0.331 4.807 4.480 -0.008 0.000 0.354 309 M C -0.699 175.660 176.300 0.098 0.000 1.170 309 M CA -0.449 54.908 55.300 0.095 0.000 1.060 309 M CB 0.730 33.553 32.600 0.371 0.000 1.615 309 M HN 0.557 nan 8.290 nan 0.000 0.460 310 L N 3.597 124.713 121.223 -0.179 0.000 2.282 310 L HA 0.189 4.524 4.340 -0.008 0.000 0.287 310 L C -0.690 175.929 176.870 -0.418 0.000 1.075 310 L CA -0.428 54.213 54.840 -0.331 0.000 0.839 310 L CB 0.198 41.865 42.059 -0.653 0.000 1.219 310 L HN 0.630 nan 8.230 nan 0.000 0.434 311 W N 3.903 124.995 121.300 -0.346 0.000 1.836 311 W HA 0.248 4.903 4.660 -0.008 0.000 0.449 311 W C 1.090 177.501 176.519 -0.180 0.000 0.787 311 W CA -0.704 56.471 57.345 -0.282 0.000 1.729 311 W CB -0.701 28.634 29.460 -0.209 0.000 1.802 311 W HN 0.468 nan 8.180 nan 0.000 0.257 312 F N 2.274 122.197 119.950 -0.046 0.000 2.115 312 F HA -0.262 4.260 4.527 -0.008 0.000 0.300 312 F C 0.027 175.776 175.800 -0.085 0.000 1.092 312 F CA 0.827 58.795 58.000 -0.053 0.000 1.245 312 F CB -1.587 37.376 39.000 -0.062 0.000 0.995 312 F HN 0.068 nan 8.300 nan 0.000 0.481 313 P HA -0.186 nan 4.420 nan 0.000 0.219 313 P C 1.504 178.674 177.300 -0.215 0.000 1.146 313 P CA 1.266 64.260 63.100 -0.177 0.000 0.808 313 P CB -0.051 31.385 31.700 -0.440 0.000 0.779 314 I N -0.748 119.721 120.570 -0.168 0.000 2.277 314 I HA -0.062 4.104 4.170 -0.008 0.000 0.243 314 I C 2.227 178.367 176.117 0.039 0.000 1.094 314 I CA 1.165 62.406 61.300 -0.097 0.000 1.393 314 I CB -1.972 35.985 38.000 -0.072 0.000 1.078 314 I HN -0.101 nan 8.210 nan 0.000 0.417 315 A N 0.469 123.368 122.820 0.132 0.000 1.933 315 A HA -0.152 4.163 4.320 -0.008 0.000 0.218 315 A C 2.452 180.268 177.584 0.387 0.000 1.175 315 A CA 1.838 54.040 52.037 0.274 0.000 0.628 315 A CB -0.784 18.380 19.000 0.274 0.000 0.814 315 A HN 0.396 nan 8.150 nan 0.000 0.444 316 S N -0.820 115.009 115.700 0.214 0.000 2.547 316 S HA -0.033 4.432 4.470 -0.008 0.000 0.235 316 S C 1.467 175.959 174.600 -0.180 0.000 0.980 316 S CA 0.825 59.029 58.200 0.006 0.000 0.941 316 S CB -0.187 62.939 63.200 -0.122 0.000 0.763 316 S HN 0.598 nan 8.310 nan 0.000 0.532 317 R N 0.631 121.135 120.500 0.007 0.000 2.543 317 R HA 0.171 4.507 4.340 -0.008 0.000 0.323 317 R C -0.506 175.873 176.300 0.131 0.000 1.002 317 R CA -0.194 55.912 56.100 0.010 0.000 1.106 317 R CB 0.342 30.601 30.300 -0.069 0.000 1.280 317 R HN 0.133 nan 8.270 nan 0.000 0.549 318 D N 1.445 121.990 120.400 0.241 0.000 2.358 318 D HA 0.015 4.650 4.640 -0.008 0.000 0.258 318 D C 0.756 177.147 176.300 0.151 0.000 1.223 318 D CA 0.196 54.307 54.000 0.185 0.000 0.886 318 D CB 0.836 41.761 40.800 0.209 0.000 1.120 318 D HN 0.059 nan 8.370 nan 0.000 0.482 319 R N 1.822 122.375 120.500 0.088 0.000 2.193 319 R HA -0.074 4.261 4.340 -0.008 0.000 0.229 319 R C 1.980 178.275 176.300 -0.008 0.000 1.110 319 R CA 0.760 56.894 56.100 0.057 0.000 0.988 319 R CB 0.098 30.424 30.300 0.044 0.000 0.871 319 R HN 0.314 nan 8.270 nan 0.000 0.458 320 S N 0.179 115.857 115.700 -0.035 0.000 2.428 320 S HA -0.037 4.428 4.470 -0.008 0.000 0.230 320 S C 1.731 176.194 174.600 -0.228 0.000 1.014 320 S CA 1.109 59.252 58.200 -0.095 0.000 0.957 320 S CB 0.284 63.444 63.200 -0.068 0.000 0.784 320 S HN 0.474 nan 8.310 nan 0.000 0.499 321 A N -0.216 122.388 122.820 -0.361 0.000 2.167 321 A HA 0.516 4.832 4.320 -0.008 0.000 0.208 321 A C 0.108 177.069 177.584 -1.038 0.000 1.198 321 A CA 0.028 51.564 52.037 -0.835 0.000 0.863 321 A CB 0.279 18.418 19.000 -1.434 0.000 0.904 321 A HN 0.356 nan 8.150 nan 0.000 0.484 322 F N 0.665 120.532 119.950 -0.138 0.000 2.557 322 F HA 0.402 4.925 4.527 -0.007 0.000 0.316 322 F C -1.092 174.691 175.800 -0.030 0.000 1.141 322 F CA -1.317 56.644 58.000 -0.066 0.000 0.922 322 F CB 1.493 40.479 39.000 -0.023 0.000 1.194 322 F HN -0.117 nan 8.300 nan 0.000 0.443 323 D N 1.376 121.853 120.400 0.128 0.000 2.350 323 D HA 0.204 4.839 4.640 -0.008 0.000 0.249 323 D C 0.237 176.605 176.300 0.112 0.000 1.119 323 D CA 0.331 54.382 54.000 0.085 0.000 0.886 323 D CB 1.210 42.039 40.800 0.049 0.000 1.195 323 D HN 0.595 nan 8.370 nan 0.000 0.437 324 S N 1.823 117.576 115.700 0.089 0.000 3.628 324 S HA -0.119 4.346 4.470 -0.008 0.000 0.373 324 S C -1.329 173.338 174.600 0.111 0.000 0.968 324 S CA 0.174 58.425 58.200 0.085 0.000 1.215 324 S CB -0.653 62.586 63.200 0.064 0.000 0.912 324 S HN 0.567 nan 8.310 nan 0.000 0.495 325 P HA -0.123 nan 4.420 nan 0.000 0.218 325 P C 0.599 178.006 177.300 0.178 0.000 1.146 325 P CA 1.150 64.332 63.100 0.138 0.000 0.813 325 P CB 0.036 31.819 31.700 0.138 0.000 0.778 326 D N -0.661 119.849 120.400 0.185 0.000 2.328 326 D HA 0.062 4.697 4.640 -0.008 0.000 0.226 326 D C 0.067 176.539 176.300 0.287 0.000 1.066 326 D CA 0.358 54.533 54.000 0.293 0.000 0.861 326 D CB -0.356 40.557 40.800 0.188 0.000 0.912 326 D HN 0.285 nan 8.370 nan 0.000 0.521 327 N N -0.115 118.660 118.700 0.125 0.000 2.314 327 N HA 0.360 5.095 4.740 -0.008 0.000 0.304 327 N C -0.394 175.006 175.510 -0.183 0.000 1.073 327 N CA -0.517 52.510 53.050 -0.038 0.000 0.822 327 N CB 2.203 40.693 38.487 0.004 0.000 1.280 327 N HN -0.126 nan 8.380 nan 0.000 0.489 328 I N 2.052 122.415 120.570 -0.345 0.000 2.278 328 I HA 0.114 4.280 4.170 -0.008 0.000 0.296 328 I C -0.517 175.516 176.117 -0.140 0.000 1.121 328 I CA -0.401 60.698 61.300 -0.336 0.000 1.267 328 I CB 0.140 37.891 38.000 -0.415 0.000 1.447 328 I HN 0.160 nan 8.210 nan 0.000 0.509 329 V N 7.645 127.516 119.914 -0.071 0.000 2.304 329 V HA 0.081 4.196 4.120 -0.008 0.000 0.262 329 V C 1.441 177.529 176.094 -0.010 0.000 1.061 329 V CA -0.299 61.986 62.300 -0.025 0.000 0.872 329 V CB 0.654 32.482 31.823 0.009 0.000 1.077 329 V HN 0.679 nan 8.190 nan 0.000 0.480 330 I N 1.967 122.527 120.570 -0.017 0.000 2.454 330 I HA -0.116 4.049 4.170 -0.008 0.000 0.254 330 I C 1.818 177.942 176.117 0.012 0.000 1.156 330 I CA 1.519 62.819 61.300 0.001 0.000 1.433 330 I CB -0.101 37.898 38.000 -0.000 0.000 1.082 330 I HN 0.669 nan 8.210 nan 0.000 0.432 331 E N 2.726 122.928 120.200 0.004 0.000 2.437 331 E HA -0.011 4.334 4.350 -0.008 0.000 0.189 331 E C 0.611 177.226 176.600 0.024 0.000 1.054 331 E CA -0.401 56.001 56.400 0.004 0.000 0.874 331 E CB -0.283 29.408 29.700 -0.016 0.000 1.011 331 E HN 0.557 nan 8.360 nan 0.000 0.474 332 R N 0.997 121.522 120.500 0.040 0.000 2.484 332 R HA 0.120 4.455 4.340 -0.008 0.000 0.293 332 R C -0.903 175.443 176.300 0.077 0.000 1.023 332 R CA 0.721 56.860 56.100 0.066 0.000 1.037 332 R CB 0.446 30.801 30.300 0.093 0.000 0.951 332 R HN 0.015 nan 8.270 nan 0.000 0.418 333 T N 5.246 119.841 114.554 0.069 0.000 3.291 333 T HA 0.373 4.718 4.350 -0.008 0.000 0.344 333 T C -2.529 172.198 174.700 0.045 0.000 1.293 333 T CA -1.148 60.989 62.100 0.061 0.000 1.108 333 T CB 1.306 70.199 68.868 0.042 0.000 1.231 333 T HN 0.542 nan 8.240 nan 0.000 0.474 334 P HA 0.541 nan 4.420 nan 0.000 0.276 334 P C -1.004 176.358 177.300 0.103 0.000 1.261 334 P CA -0.668 62.463 63.100 0.052 0.000 0.800 334 P CB 0.457 32.170 31.700 0.023 0.000 1.066 335 N N 0.803 119.584 118.700 0.135 0.000 2.727 335 N HA 0.110 4.845 4.740 -0.008 0.000 0.252 335 N C -0.689 174.958 175.510 0.228 0.000 1.283 335 N CA -0.308 52.902 53.050 0.266 0.000 0.782 335 N CB 0.306 38.953 38.487 0.268 0.000 1.199 335 N HN 0.192 nan 8.380 nan 0.000 0.520 336 R N 2.012 122.651 120.500 0.232 0.000 4.779 336 R HA 0.076 4.412 4.340 -0.008 0.000 0.217 336 R C 0.010 176.526 176.300 0.360 0.000 1.934 336 R CA -0.406 55.786 56.100 0.153 0.000 1.623 336 R CB -0.747 29.609 30.300 0.093 0.000 1.364 336 R HN 0.603 nan 8.270 nan 0.000 0.799 337 H N -2.071 117.238 119.070 0.398 0.000 2.745 337 H HA 0.065 4.617 4.556 -0.008 0.000 0.373 337 H C 0.694 176.100 175.328 0.130 0.000 1.226 337 H CA -0.459 55.782 56.048 0.323 0.000 1.435 337 H CB 0.747 30.531 29.762 0.036 0.000 1.461 337 H HN 0.094 nan 8.280 nan 0.000 0.616 338 L N 1.252 122.571 121.223 0.161 0.000 2.818 338 L HA 0.139 4.475 4.340 -0.008 0.000 0.243 338 L C 1.365 177.919 176.870 -0.526 0.000 1.185 338 L CA 0.016 54.702 54.840 -0.256 0.000 0.988 338 L CB 0.080 41.926 42.059 -0.356 0.000 1.292 338 L HN 0.694 nan 8.230 nan 0.000 0.519 339 S N 0.376 116.058 115.700 -0.031 0.000 2.442 339 S HA -0.022 4.443 4.470 -0.008 0.000 0.236 339 S C 1.465 175.955 174.600 -0.184 0.000 1.007 339 S CA 1.033 59.153 58.200 -0.133 0.000 0.965 339 S CB 0.012 63.127 63.200 -0.142 0.000 0.773 339 S HN 0.403 nan 8.310 nan 0.000 0.504 340 L N 0.744 121.886 121.223 -0.135 0.000 2.910 340 L HA 0.357 4.692 4.340 -0.008 0.000 0.252 340 L C 1.075 177.848 176.870 -0.163 0.000 1.195 340 L CA -0.235 54.533 54.840 -0.120 0.000 1.003 340 L CB -0.258 41.774 42.059 -0.045 0.000 1.328 340 L HN 0.382 nan 8.230 nan 0.000 0.540 341 G N 0.363 108.951 108.800 -0.353 0.000 2.693 341 G HA2 -0.275 3.680 3.960 -0.008 0.000 0.226 341 G HA3 -0.275 3.680 3.960 -0.008 0.000 0.226 341 G C -0.810 174.038 174.900 -0.087 0.000 1.354 341 G CA -0.140 44.806 45.100 -0.258 0.000 0.873 341 G HN 0.501 nan 8.290 nan 0.000 0.562 342 H N -1.385 117.624 119.070 -0.102 0.000 3.094 342 H HA 0.649 5.201 4.556 -0.008 0.000 0.335 342 H C 0.523 175.833 175.328 -0.029 0.000 1.254 342 H CA 1.645 57.646 56.048 -0.080 0.000 1.240 342 H CB 1.147 30.842 29.762 -0.111 0.000 1.936 342 H HN 2.694 nan 8.280 nan 0.000 0.536 343 G N 1.860 110.376 108.800 -0.474 0.000 2.542 343 G HA2 -0.274 3.681 3.960 -0.008 0.000 0.235 343 G HA3 -0.274 3.681 3.960 -0.008 0.000 0.235 343 G C 1.228 176.034 174.900 -0.156 0.000 1.286 343 G CA 0.250 45.217 45.100 -0.222 0.000 0.904 343 G HN 1.337 nan 8.290 nan 0.000 0.577 344 I N -2.587 117.885 120.570 -0.163 0.000 2.454 344 I HA -0.009 4.156 4.170 -0.008 0.000 0.254 344 I C 1.744 177.681 176.117 -0.301 0.000 1.156 344 I CA 2.138 63.275 61.300 -0.271 0.000 1.433 344 I CB -0.294 37.431 38.000 -0.459 0.000 1.082 344 I HN 0.479 nan 8.210 nan 0.000 0.432 345 H N 1.498 120.526 119.070 -0.070 0.000 2.529 345 H HA 0.290 4.841 4.556 -0.008 0.000 0.277 345 H C 0.534 175.877 175.328 0.026 0.000 1.004 345 H CA -0.335 55.730 56.048 0.029 0.000 1.167 345 H CB -0.073 29.697 29.762 0.013 0.000 1.445 345 H HN 0.265 nan 8.280 nan 0.000 0.554 346 R N 0.949 121.484 120.500 0.058 0.000 2.651 346 R HA -0.138 4.198 4.340 -0.008 0.000 0.269 346 R C 0.206 176.519 176.300 0.021 0.000 0.979 346 R CA 0.294 56.398 56.100 0.006 0.000 1.096 346 R CB 0.155 30.429 30.300 -0.044 0.000 0.927 346 R HN 0.306 nan 8.270 nan 0.000 0.430 347 C N 5.051 124.343 119.300 -0.014 0.000 2.648 347 C HA 0.044 4.499 4.460 -0.008 0.000 0.415 347 C C 2.452 177.411 174.990 -0.052 0.000 1.366 347 C CA -0.584 58.415 59.018 -0.031 0.000 1.756 347 C CB -1.086 26.626 27.740 -0.047 0.000 2.549 347 C HN 0.794 nan 8.230 nan 0.000 0.597 348 L N 5.030 126.191 121.223 -0.104 0.000 2.131 348 L HA 0.038 4.373 4.340 -0.008 0.000 0.210 348 L C 2.166 178.903 176.870 -0.222 0.000 1.092 348 L CA 2.145 56.877 54.840 -0.180 0.000 0.759 348 L CB -0.636 41.217 42.059 -0.345 0.000 0.903 348 L HN 1.039 nan 8.230 nan 0.000 0.435 349 G N -1.892 106.772 108.800 -0.227 0.000 3.262 349 G HA2 0.188 4.143 3.960 -0.008 0.000 0.228 349 G HA3 0.188 4.143 3.960 -0.008 0.000 0.228 349 G C 1.436 176.334 174.900 -0.002 0.000 1.197 349 G CA 0.517 45.549 45.100 -0.114 0.000 0.819 349 G HN 0.471 nan 8.290 nan 0.000 0.531 350 A N 0.896 123.722 122.820 0.010 0.000 1.859 350 A HA -0.204 4.112 4.320 -0.008 0.000 0.217 350 A C 2.021 179.643 177.584 0.064 0.000 1.198 350 A CA 2.129 54.182 52.037 0.026 0.000 0.629 350 A CB -0.810 18.208 19.000 0.029 0.000 0.830 350 A HN 0.501 nan 8.150 nan 0.000 0.446 351 H N -0.907 118.192 119.070 0.047 0.000 2.353 351 H HA -0.080 4.471 4.556 -0.008 0.000 0.300 351 H C 1.785 177.158 175.328 0.075 0.000 1.090 351 H CA 1.732 57.817 56.048 0.063 0.000 1.327 351 H CB -0.258 29.549 29.762 0.076 0.000 1.383 351 H HN 0.312 nan 8.280 nan 0.000 0.508 352 L N -0.075 121.194 121.223 0.077 0.000 2.012 352 L HA -0.111 4.225 4.340 -0.008 0.000 0.210 352 L C 2.304 179.161 176.870 -0.021 0.000 1.073 352 L CA 1.648 56.512 54.840 0.041 0.000 0.748 352 L CB -0.988 41.169 42.059 0.163 0.000 0.891 352 L HN 0.458 nan 8.230 nan 0.000 0.431 353 I N -0.336 120.227 120.570 -0.011 0.000 2.208 353 I HA -0.272 3.893 4.170 -0.008 0.000 0.245 353 I C 2.597 178.704 176.117 -0.017 0.000 1.097 353 I CA 1.483 62.778 61.300 -0.008 0.000 1.363 353 I CB -0.519 37.456 38.000 -0.041 0.000 1.051 353 I HN 0.282 nan 8.210 nan 0.000 0.413 354 R N -0.427 120.032 120.500 -0.069 0.000 2.091 354 R HA -0.139 4.196 4.340 -0.008 0.000 0.238 354 R C 2.223 178.468 176.300 -0.091 0.000 1.136 354 R CA 1.841 57.900 56.100 -0.069 0.000 0.959 354 R CB -0.689 29.553 30.300 -0.097 0.000 0.856 354 R HN 0.320 nan 8.270 nan 0.000 0.437 355 V N 1.238 121.043 119.914 -0.183 0.000 2.307 355 V HA -0.204 3.911 4.120 -0.008 0.000 0.245 355 V C 2.026 178.100 176.094 -0.032 0.000 1.045 355 V CA 1.754 63.982 62.300 -0.120 0.000 1.024 355 V CB -0.462 31.280 31.823 -0.136 0.000 0.651 355 V HN 0.337 nan 8.190 nan 0.000 0.449 356 E N 0.526 120.717 120.200 -0.015 0.000 2.058 356 E HA -0.248 4.097 4.350 -0.008 0.000 0.194 356 E C 2.318 178.920 176.600 0.003 0.000 0.997 356 E CA 1.513 57.917 56.400 0.007 0.000 0.801 356 E CB -0.369 29.342 29.700 0.018 0.000 0.746 356 E HN 0.602 nan 8.360 nan 0.000 0.450 357 A N 1.339 124.176 122.820 0.027 0.000 1.898 357 A HA -0.190 4.125 4.320 -0.008 0.000 0.216 357 A C 2.097 179.672 177.584 -0.015 0.000 1.181 357 A CA 1.328 53.371 52.037 0.011 0.000 0.620 357 A CB -0.429 18.679 19.000 0.180 0.000 0.819 357 A HN 0.064 nan 8.150 nan 0.000 0.442 358 R N -0.425 120.080 120.500 0.009 0.000 2.094 358 R HA -0.144 4.191 4.340 -0.008 0.000 0.239 358 R C 2.071 178.377 176.300 0.010 0.000 1.137 358 R CA 2.059 58.166 56.100 0.011 0.000 0.943 358 R CB -0.541 29.765 30.300 0.010 0.000 0.850 358 R HN 0.343 nan 8.270 nan 0.000 0.433 359 V N 0.774 120.695 119.914 0.011 0.000 2.295 359 V HA -0.260 3.855 4.120 -0.008 0.000 0.246 359 V C 2.482 178.591 176.094 0.024 0.000 1.049 359 V CA 1.991 64.303 62.300 0.021 0.000 1.024 359 V CB -0.801 31.037 31.823 0.026 0.000 0.648 359 V HN 0.547 nan 8.190 nan 0.000 0.447 360 A N -0.215 122.608 122.820 0.006 0.000 1.883 360 A HA -0.201 4.114 4.320 -0.008 0.000 0.217 360 A C 2.190 179.810 177.584 0.060 0.000 1.186 360 A CA 2.124 54.174 52.037 0.021 0.000 0.624 360 A CB -0.563 18.399 19.000 -0.062 0.000 0.822 360 A HN 0.510 nan 8.150 nan 0.000 0.444 361 I N -0.752 119.806 120.570 -0.020 0.000 2.202 361 I HA -0.212 3.953 4.170 -0.008 0.000 0.242 361 I C 2.647 178.823 176.117 0.099 0.000 1.091 361 I CA 1.743 63.057 61.300 0.024 0.000 1.368 361 I CB -0.682 37.292 38.000 -0.044 0.000 1.058 361 I HN 0.263 nan 8.210 nan 0.000 0.410 362 T N 0.348 114.936 114.554 0.057 0.000 2.684 362 T HA -0.172 4.173 4.350 -0.008 0.000 0.267 362 T C 1.792 176.521 174.700 0.049 0.000 1.036 362 T CA 1.356 63.486 62.100 0.049 0.000 1.148 362 T CB -0.191 68.697 68.868 0.034 0.000 0.863 362 T HN 0.302 nan 8.240 nan 0.000 0.436 363 E N 0.365 120.599 120.200 0.056 0.000 2.107 363 E HA 0.011 4.356 4.350 -0.008 0.000 0.191 363 E C 1.897 178.510 176.600 0.021 0.000 0.982 363 E CA 0.561 56.980 56.400 0.032 0.000 0.809 363 E CB -0.469 29.250 29.700 0.032 0.000 0.756 363 E HN 0.495 nan 8.360 nan 0.000 0.459 364 F N 1.518 121.434 119.950 -0.057 0.000 2.113 364 F HA -0.099 4.424 4.527 -0.006 0.000 0.297 364 F C 2.141 177.881 175.800 -0.101 0.000 1.103 364 F CA 1.072 58.998 58.000 -0.123 0.000 1.248 364 F CB -0.171 38.787 39.000 -0.069 0.000 0.999 364 F HN -0.093 nan 8.300 nan 0.000 0.475 365 L N 0.035 121.283 121.223 0.043 0.000 2.141 365 L HA -0.200 4.135 4.340 -0.008 0.000 0.209 365 L C 2.461 179.287 176.870 -0.075 0.000 1.094 365 L CA 1.501 56.352 54.840 0.018 0.000 0.763 365 L CB -0.668 41.461 42.059 0.117 0.000 0.908 365 L HN 0.133 nan 8.230 nan 0.000 0.437 366 K N -0.178 120.181 120.400 -0.069 0.000 2.057 366 K HA -0.139 4.176 4.320 -0.008 0.000 0.206 366 K C 2.373 178.900 176.600 -0.121 0.000 1.050 366 K CA 0.972 57.217 56.287 -0.070 0.000 0.935 366 K CB 0.184 32.659 32.500 -0.041 0.000 0.715 366 K HN 0.100 nan 8.250 nan 0.000 0.439 367 R N 0.197 120.574 120.500 -0.205 0.000 2.066 367 R HA 0.127 4.463 4.340 -0.008 0.000 0.224 367 R C 0.786 176.889 176.300 -0.327 0.000 1.122 367 R CA 0.904 56.858 56.100 -0.243 0.000 0.974 367 R CB 0.026 30.162 30.300 -0.273 0.000 0.871 367 R HN 0.214 nan 8.270 nan 0.000 0.435 368 I N 3.230 123.450 120.570 -0.584 0.000 2.697 368 I HA 0.154 4.320 4.170 -0.008 0.000 0.279 368 I C -1.682 174.263 176.117 -0.286 0.000 1.171 368 I CA -1.505 59.454 61.300 -0.568 0.000 1.135 368 I CB 1.989 39.305 38.000 -1.140 0.000 1.445 368 I HN -0.101 nan 8.210 nan 0.000 0.541 369 P HA -0.111 nan 4.420 nan 0.000 0.221 369 P C 0.401 177.806 177.300 0.174 0.000 1.150 369 P CA 1.093 64.234 63.100 0.069 0.000 0.800 369 P CB 0.576 32.283 31.700 0.012 0.000 0.787 370 E N 0.120 120.435 120.200 0.192 0.000 2.158 370 E HA 0.481 4.826 4.350 -0.008 0.000 0.271 370 E C -0.958 175.897 176.600 0.425 0.000 0.911 370 E CA -0.820 55.698 56.400 0.198 0.000 0.767 370 E CB 0.847 30.616 29.700 0.116 0.000 1.120 370 E HN 0.010 nan 8.360 nan 0.000 0.405 371 F N 0.721 120.751 119.950 0.135 0.000 2.858 371 F HA 0.657 5.178 4.527 -0.010 0.000 0.319 371 F C -1.316 174.588 175.800 0.174 0.000 1.166 371 F CA -0.856 57.280 58.000 0.227 0.000 0.899 371 F CB 0.891 40.081 39.000 0.316 0.000 1.332 371 F HN 0.362 nan 8.300 nan 0.000 0.461 372 S N 0.229 116.116 115.700 0.312 0.000 2.636 372 S HA 0.668 5.133 4.470 -0.008 0.000 0.268 372 S C -1.562 173.194 174.600 0.260 0.000 1.159 372 S CA -1.238 57.051 58.200 0.148 0.000 0.815 372 S CB 1.370 64.617 63.200 0.079 0.000 1.130 372 S HN 0.935 nan 8.310 nan 0.000 0.471 373 L N 1.766 123.108 121.223 0.198 0.000 2.439 373 L HA 0.323 4.658 4.340 -0.008 0.000 0.269 373 L C 0.252 177.225 176.870 0.173 0.000 1.179 373 L CA -0.359 54.614 54.840 0.221 0.000 0.828 373 L CB 0.237 42.417 42.059 0.202 0.000 1.106 373 L HN 0.723 nan 8.230 nan 0.000 0.467 374 D N 4.821 125.323 120.400 0.169 0.000 2.358 374 D HA 0.044 4.679 4.640 -0.008 0.000 0.258 374 D C -1.356 174.997 176.300 0.089 0.000 1.223 374 D CA -1.595 52.472 54.000 0.112 0.000 0.886 374 D CB 1.322 42.181 40.800 0.098 0.000 1.120 374 D HN 0.278 nan 8.370 nan 0.000 0.482 375 P HA -0.081 nan 4.420 nan 0.000 0.228 375 P C -0.091 177.232 177.300 0.039 0.000 1.151 375 P CA 0.785 63.915 63.100 0.050 0.000 0.770 375 P CB 0.312 32.034 31.700 0.035 0.000 0.786 376 N N -0.931 117.789 118.700 0.033 0.000 2.204 376 N HA 0.146 4.881 4.740 -0.008 0.000 0.219 376 N C -0.061 175.461 175.510 0.021 0.000 1.151 376 N CA -0.187 52.875 53.050 0.021 0.000 0.867 376 N CB 0.452 38.943 38.487 0.007 0.000 1.043 376 N HN 0.095 nan 8.380 nan 0.000 0.516 377 K N 0.227 120.650 120.400 0.038 0.000 2.477 377 K HA 0.331 4.646 4.320 -0.008 0.000 0.255 377 K C -0.950 175.689 176.600 0.064 0.000 0.952 377 K CA -0.791 55.518 56.287 0.037 0.000 0.826 377 K CB 2.179 34.700 32.500 0.035 0.000 1.331 377 K HN -0.119 nan 8.250 nan 0.000 0.437 378 E N 0.894 121.127 120.200 0.055 0.000 2.242 378 E HA 0.270 4.616 4.350 -0.008 0.000 0.275 378 E C -0.504 176.167 176.600 0.118 0.000 1.002 378 E CA -0.491 55.958 56.400 0.081 0.000 0.841 378 E CB 1.482 31.215 29.700 0.055 0.000 1.109 378 E HN 0.525 nan 8.360 nan 0.000 0.394 379 C N 1.201 120.592 119.300 0.151 0.000 2.362 379 C HA 0.485 4.940 4.460 -0.008 0.000 0.363 379 C C 0.520 175.587 174.990 0.127 0.000 1.220 379 C CA -0.312 58.809 59.018 0.171 0.000 2.379 379 C CB 0.478 28.334 27.740 0.193 0.000 2.351 379 C HN 0.725 nan 8.230 nan 0.000 0.582 380 E N 0.572 120.847 120.200 0.124 0.000 2.321 380 E HA 0.272 4.618 4.350 -0.008 0.000 0.278 380 E C -1.906 174.745 176.600 0.084 0.000 0.902 380 E CA -0.481 55.992 56.400 0.122 0.000 0.758 380 E CB 1.256 31.073 29.700 0.195 0.000 1.213 380 E HN 0.824 nan 8.360 nan 0.000 0.426 381 W N 7.259 128.494 121.300 -0.108 0.000 2.429 381 W HA 0.423 5.078 4.660 -0.008 0.000 0.314 381 W C -1.679 174.789 176.519 -0.086 0.000 1.062 381 W CA -0.862 56.395 57.345 -0.147 0.000 1.211 381 W CB 1.329 30.669 29.460 -0.201 0.000 1.305 381 W HN 0.506 nan 8.180 nan 0.000 0.476 382 L N 7.146 128.164 121.223 -0.343 0.000 2.326 382 L HA 0.401 4.737 4.340 -0.008 0.000 0.278 382 L C -0.109 176.670 176.870 -0.152 0.000 1.092 382 L CA 0.046 54.776 54.840 -0.183 0.000 0.810 382 L CB 1.116 43.039 42.059 -0.227 0.000 1.153 382 L HN 0.480 nan 8.230 nan 0.000 0.439 383 M N 3.347 122.990 119.600 0.071 0.000 2.679 383 M HA 0.835 5.310 4.480 -0.008 0.000 0.287 383 M C 0.547 176.756 176.300 -0.151 0.000 1.202 383 M CA -0.081 55.256 55.300 0.061 0.000 0.911 383 M CB 1.593 34.240 32.600 0.079 0.000 1.556 383 M HN 0.824 nan 8.290 nan 0.000 0.511 384 G N -0.308 108.221 108.800 -0.452 0.000 2.298 384 G HA2 -0.095 3.860 3.960 -0.008 0.000 0.309 384 G HA3 -0.095 3.860 3.960 -0.008 0.000 0.309 384 G C -0.530 174.035 174.900 -0.560 0.000 1.279 384 G CA -0.614 43.783 45.100 -1.171 0.000 1.042 384 G HN 0.636 nan 8.290 nan 0.000 0.480 385 Q N -1.203 118.357 119.800 -0.400 0.000 2.378 385 Q HA 0.235 4.570 4.340 -0.008 0.000 0.205 385 Q C 0.605 176.554 176.000 -0.085 0.000 0.954 385 Q CA 1.019 56.740 55.803 -0.137 0.000 0.901 385 Q CB 0.376 29.099 28.738 -0.026 0.000 0.981 385 Q HN 0.299 nan 8.270 nan 0.000 0.483 386 V N 0.971 120.847 119.914 -0.064 0.000 2.380 386 V HA 0.535 4.650 4.120 -0.008 0.000 0.286 386 V C -0.763 175.291 176.094 -0.068 0.000 1.015 386 V CA -0.577 61.712 62.300 -0.018 0.000 0.834 386 V CB 1.275 33.119 31.823 0.036 0.000 1.009 386 V HN 0.087 nan 8.190 nan 0.000 0.428 387 A N 3.653 126.434 122.820 -0.065 0.000 2.355 387 A HA 1.063 5.379 4.320 -0.008 0.000 0.324 387 A C 0.166 177.462 177.584 -0.479 0.000 1.117 387 A CA 0.039 51.965 52.037 -0.185 0.000 0.785 387 A CB 1.947 21.030 19.000 0.139 0.000 1.254 387 A HN 1.413 nan 8.150 nan 0.000 0.453 388 G N 0.408 108.474 108.800 -1.224 0.000 2.322 388 G HA2 0.469 4.424 3.960 -0.008 0.000 0.295 388 G HA3 0.469 4.424 3.960 -0.008 0.000 0.295 388 G C -0.950 173.101 174.900 -1.415 0.000 1.369 388 G CA -0.979 43.183 45.100 -1.563 0.000 0.821 388 G HN 0.560 nan 8.290 nan 0.000 0.536 389 M N 0.645 119.717 119.600 -0.879 0.000 2.248 389 M HA 0.189 4.664 4.480 -0.008 0.000 0.345 389 M C 1.092 177.181 176.300 -0.351 0.000 1.243 389 M CA -0.272 54.767 55.300 -0.434 0.000 1.090 389 M CB 0.984 33.444 32.600 -0.232 0.000 1.683 389 M HN 0.547 nan 8.290 nan 0.000 0.450 390 L N 3.811 124.854 121.223 -0.301 0.000 2.425 390 L HA 0.197 4.533 4.340 -0.008 0.000 0.215 390 L C -0.176 176.339 176.870 -0.592 0.000 1.065 390 L CA 1.231 55.833 54.840 -0.397 0.000 0.842 390 L CB 0.170 42.017 42.059 -0.355 0.000 1.033 390 L HN 0.727 nan 8.230 nan 0.000 0.474 391 H N -1.796 117.260 119.070 -0.023 0.000 2.782 391 H HA 0.626 5.177 4.556 -0.008 0.000 0.347 391 H C -1.173 174.198 175.328 0.071 0.000 1.038 391 H CA -0.594 55.468 56.048 0.024 0.000 1.255 391 H CB 1.856 31.633 29.762 0.025 0.000 1.623 391 H HN -0.291 nan 8.280 nan 0.000 0.525 392 V N 4.808 124.852 119.914 0.216 0.000 2.384 392 V HA 0.199 4.314 4.120 -0.008 0.000 0.257 392 V C -2.426 173.821 176.094 0.253 0.000 0.969 392 V CA -1.439 61.016 62.300 0.259 0.000 0.910 392 V CB 0.572 32.547 31.823 0.255 0.000 1.150 392 V HN 0.629 nan 8.190 nan 0.000 0.481 393 P HA 0.304 nan 4.420 nan 0.000 0.271 393 P C -0.385 177.060 177.300 0.241 0.000 1.226 393 P CA 0.393 63.615 63.100 0.205 0.000 0.765 393 P CB 1.339 33.126 31.700 0.145 0.000 0.835 394 I N 2.111 122.848 120.570 0.277 0.000 3.108 394 I HA 0.730 4.895 4.170 -0.008 0.000 0.312 394 I C -0.278 176.025 176.117 0.310 0.000 1.095 394 I CA -1.801 59.712 61.300 0.354 0.000 1.000 394 I CB 2.474 40.771 38.000 0.494 0.000 1.229 394 I HN 0.232 nan 8.210 nan 0.000 0.454 395 I N 0.648 121.406 120.570 0.313 0.000 2.828 395 I HA 0.856 5.021 4.170 -0.008 0.000 0.302 395 I C -1.458 174.822 176.117 0.271 0.000 1.101 395 I CA -0.707 60.630 61.300 0.063 0.000 1.031 395 I CB 2.314 40.311 38.000 -0.005 0.000 1.231 395 I HN 0.827 nan 8.210 nan 0.000 0.427 396 F N 1.009 121.044 119.950 0.142 0.000 2.741 396 F HA 0.804 5.326 4.527 -0.009 0.000 0.311 396 F C -3.129 172.716 175.800 0.075 0.000 1.149 396 F CA -2.500 55.589 58.000 0.148 0.000 0.930 396 F CB 0.156 39.263 39.000 0.178 0.000 1.312 396 F HN 0.191 nan 8.300 nan 0.000 0.450 397 P HA 0.140 nan 4.420 nan 0.000 0.267 397 P C -0.964 176.440 177.300 0.173 0.000 1.200 397 P CA -0.300 62.872 63.100 0.120 0.000 0.772 397 P CB 0.592 32.363 31.700 0.119 0.000 0.855 398 K N 1.305 121.741 120.400 0.060 0.000 2.436 398 K HA 0.417 4.733 4.320 -0.008 0.000 0.275 398 K C 0.813 177.485 176.600 0.119 0.000 0.999 398 K CA 0.145 56.481 56.287 0.081 0.000 0.980 398 K CB 0.259 32.764 32.500 0.007 0.000 0.919 398 K HN 0.616 nan 8.250 nan 0.000 0.484 399 G N 1.549 110.434 108.800 0.142 0.000 3.140 399 G HA2 0.495 4.450 3.960 -0.008 0.000 0.271 399 G HA3 0.495 4.450 3.960 -0.008 0.000 0.271 399 G C -1.298 173.635 174.900 0.055 0.000 1.370 399 G CA -0.616 44.535 45.100 0.085 0.000 1.014 399 G HN 0.273 nan 8.290 nan 0.000 0.541 400 K N 0.392 120.810 120.400 0.031 0.000 2.221 400 K HA 0.500 4.816 4.320 -0.008 0.000 0.258 400 K C 0.152 176.763 176.600 0.019 0.000 0.944 400 K CA -0.575 55.725 56.287 0.022 0.000 0.823 400 K CB 1.722 34.229 32.500 0.013 0.000 1.113 400 K HN 0.431 nan 8.250 nan 0.000 0.431 401 R N 1.910 122.423 120.500 0.022 0.000 2.694 401 R HA 0.129 4.464 4.340 -0.008 0.000 0.268 401 R C 0.783 177.092 176.300 0.015 0.000 1.061 401 R CA -0.114 56.000 56.100 0.023 0.000 1.133 401 R CB 0.279 30.593 30.300 0.025 0.000 1.020 401 R HN 0.509 nan 8.270 nan 0.000 0.475 402 L N -0.155 121.077 121.223 0.015 0.000 2.249 402 L HA 0.076 4.411 4.340 -0.008 0.000 0.207 402 L C 0.983 177.860 176.870 0.012 0.000 1.090 402 L CA 0.723 55.569 54.840 0.009 0.000 0.802 402 L CB 0.133 42.197 42.059 0.007 0.000 0.947 402 L HN 0.538 nan 8.230 nan 0.000 0.453 403 S N -1.470 114.239 115.700 0.016 0.000 2.651 403 S HA 0.501 4.967 4.470 -0.008 0.000 0.279 403 S C -1.177 173.434 174.600 0.017 0.000 1.148 403 S CA -0.386 57.824 58.200 0.016 0.000 0.837 403 S CB 1.573 64.783 63.200 0.017 0.000 1.138 403 S HN 0.322 nan 8.310 nan 0.000 0.478 404 E N 0.000 120.209 120.200 0.015 0.000 2.725 404 E HA 0.000 4.345 4.350 -0.008 0.000 0.291 404 E CA 0.000 56.408 56.400 0.013 0.000 0.976 404 E CB 0.000 29.710 29.700 0.017 0.000 0.812 404 E HN 0.000 nan 8.360 nan 0.000 0.440