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 1sjb_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLSGVELRR VQMPLVAPFR TSFGTQSVRE LLLLRAVTPA GEGWGECVTM DATA SEQUENCE AGPLYSSEYN DGAEHVLRHY LIPALLAAED ITAAKVTPLL AKFKGHRMAK DATA SEQUENCE GALEMAVLDA ELRAHERSFA AELGSVRDSV PCGVSVGIMD TIPQLLDVVG DATA SEQUENCE GYLDEGYVRI KLKIEPGWDV EPVRAVRERF GDDVLLQVDA NTAYTLGDAP DATA SEQUENCE QLARLDPFGL LLIEQPLEEE DVLGHAELAR RIQTPICLDE SIVSARAAAD DATA SEQUENCE AIKLGAVQIV NIKPGRVGGY LEARRVHDVC AAHGIPVWCG GMIETGLGRA DATA SEQUENCE ANVALASLPN FTLPGDTSAS DRFYKTDITE PFVLSGGHLP VPTGPGLGVA DATA SEQUENCE PIPELLDEVT TAKVWIGS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.313 55.300 0.023 0.000 0.988 1 M CB 0.000 32.616 32.600 0.026 0.000 1.302 2 K N 2.130 122.538 120.400 0.013 0.000 2.443 2 K HA 0.593 4.913 4.320 -0.000 0.000 0.252 2 K C -1.995 174.611 176.600 0.010 0.000 0.933 2 K CA -0.614 55.679 56.287 0.011 0.000 0.792 2 K CB 1.968 34.474 32.500 0.010 0.000 1.185 2 K HN 0.651 nan 8.250 nan 0.000 0.425 3 L N 2.798 124.022 121.223 0.002 0.000 2.290 3 L HA 0.270 4.610 4.340 -0.000 0.000 0.284 3 L C 0.649 177.516 176.870 -0.005 0.000 1.078 3 L CA 0.800 55.635 54.840 -0.008 0.000 0.815 3 L CB 1.208 43.251 42.059 -0.026 0.000 1.162 3 L HN 0.657 nan 8.230 nan 0.000 0.435 4 S N 2.635 118.346 115.700 0.020 0.000 2.475 4 S HA 0.598 5.068 4.470 -0.000 0.000 0.224 4 S C 0.518 175.159 174.600 0.069 0.000 1.042 4 S CA 0.289 58.536 58.200 0.078 0.000 0.935 4 S CB 0.233 63.512 63.200 0.132 0.000 0.801 4 S HN 1.025 nan 8.310 nan 0.000 0.509 5 G N 0.223 108.963 108.800 -0.100 0.000 2.320 5 G HA2 0.405 4.365 3.960 -0.000 0.000 0.297 5 G HA3 0.405 4.365 3.960 -0.000 0.000 0.297 5 G C -2.133 172.343 174.900 -0.706 0.000 1.344 5 G CA -0.696 44.034 45.100 -0.616 0.000 0.851 5 G HN 0.187 nan 8.290 nan 0.000 0.567 6 V N 0.321 119.605 119.914 -1.050 0.000 2.623 6 V HA 0.595 4.715 4.120 -0.000 0.000 0.304 6 V C -0.191 175.646 176.094 -0.429 0.000 1.054 6 V CA -0.763 61.219 62.300 -0.530 0.000 0.882 6 V CB 1.697 33.333 31.823 -0.312 0.000 1.002 6 V HN 0.943 nan 8.190 nan 0.000 0.424 7 E N 4.771 124.953 120.200 -0.031 0.000 2.115 7 E HA 0.511 4.861 4.350 -0.000 0.000 0.282 7 E C -1.476 175.137 176.600 0.022 0.000 0.987 7 E CA -0.631 55.861 56.400 0.152 0.000 0.797 7 E CB 1.340 31.251 29.700 0.351 0.000 1.086 7 E HN 0.575 nan 8.360 nan 0.000 0.397 8 L N 4.728 125.952 121.223 0.001 0.000 2.334 8 L HA 0.450 4.790 4.340 -0.000 0.000 0.277 8 L C 0.378 177.275 176.870 0.044 0.000 1.075 8 L CA -0.076 54.766 54.840 0.003 0.000 0.804 8 L CB 1.173 43.212 42.059 -0.033 0.000 1.174 8 L HN 0.533 nan 8.230 nan 0.000 0.438 9 R N 2.434 122.973 120.500 0.064 0.000 2.725 9 R HA 0.616 4.956 4.340 -0.000 0.000 0.277 9 R C -1.139 175.199 176.300 0.062 0.000 0.987 9 R CA -1.059 55.086 56.100 0.075 0.000 0.901 9 R CB 2.234 32.603 30.300 0.115 0.000 1.207 9 R HN 0.492 nan 8.270 nan 0.000 0.463 10 R N 1.195 121.724 120.500 0.049 0.000 2.338 10 R HA 0.488 4.828 4.340 -0.000 0.000 0.317 10 R C -0.616 175.703 176.300 0.032 0.000 0.968 10 R CA -0.662 55.461 56.100 0.038 0.000 0.849 10 R CB 1.670 31.988 30.300 0.031 0.000 1.128 10 R HN 0.174 nan 8.270 nan 0.000 0.448 11 V N 2.284 122.213 119.914 0.025 0.000 2.919 11 V HA 0.383 4.503 4.120 -0.000 0.000 0.316 11 V C -0.304 175.782 176.094 -0.014 0.000 1.077 11 V CA -0.783 61.519 62.300 0.004 0.000 0.977 11 V CB 2.057 33.882 31.823 0.003 0.000 1.039 11 V HN 0.697 nan 8.190 nan 0.000 0.441 12 Q N 2.869 122.644 119.800 -0.042 0.000 2.650 12 Q HA 0.531 4.871 4.340 -0.000 0.000 0.239 12 Q C -1.669 174.266 176.000 -0.108 0.000 0.893 12 Q CA -0.231 55.541 55.803 -0.052 0.000 0.755 12 Q CB 1.616 30.339 28.738 -0.024 0.000 1.349 12 Q HN 0.755 nan 8.270 nan 0.000 0.461 13 M N 4.118 123.605 119.600 -0.188 0.000 2.167 13 M HA 0.491 4.971 4.480 -0.000 0.000 0.333 13 M C -2.389 173.746 176.300 -0.275 0.000 1.030 13 M CA -2.038 53.058 55.300 -0.340 0.000 0.963 13 M CB 1.558 33.740 32.600 -0.697 0.000 1.589 13 M HN 0.190 nan 8.290 nan 0.000 0.431 14 P HA 0.179 nan 4.420 nan 0.000 0.271 14 P C -1.092 176.272 177.300 0.107 0.000 1.216 14 P CA -0.010 63.081 63.100 -0.015 0.000 0.776 14 P CB 0.444 32.147 31.700 0.005 0.000 0.881 15 L N 3.071 124.419 121.223 0.208 0.000 2.334 15 L HA 0.186 4.526 4.340 -0.000 0.000 0.277 15 L C 2.110 179.129 176.870 0.248 0.000 1.075 15 L CA -0.923 54.118 54.840 0.335 0.000 0.804 15 L CB 0.748 42.976 42.059 0.282 0.000 1.174 15 L HN 0.151 nan 8.230 nan 0.000 0.438 16 V N 2.240 122.324 119.914 0.283 0.000 2.231 16 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 16 V C 0.968 177.157 176.094 0.159 0.000 1.058 16 V CA 2.308 64.726 62.300 0.198 0.000 1.022 16 V CB -0.343 31.592 31.823 0.187 0.000 0.640 16 V HN 0.915 nan 8.190 nan 0.000 0.445 17 A N -0.921 122.013 122.820 0.189 0.000 2.422 17 A HA 0.722 5.042 4.320 -0.000 0.000 0.302 17 A C -2.913 174.795 177.584 0.206 0.000 1.041 17 A CA -1.464 50.672 52.037 0.164 0.000 0.708 17 A CB 1.264 20.347 19.000 0.139 0.000 1.257 17 A HN 0.195 nan 8.150 nan 0.000 0.414 18 P HA 0.173 nan 4.420 nan 0.000 0.262 18 P C -0.904 176.522 177.300 0.210 0.000 1.182 18 P CA 0.576 63.770 63.100 0.157 0.000 0.761 18 P CB 0.014 31.763 31.700 0.082 0.000 0.795 19 F N 4.074 124.054 119.950 0.049 0.000 2.388 19 F HA 0.448 4.975 4.527 -0.000 0.000 0.358 19 F C 0.332 176.105 175.800 -0.044 0.000 1.122 19 F CA -1.109 56.911 58.000 0.035 0.000 1.056 19 F CB 1.052 40.109 39.000 0.096 0.000 1.155 19 F HN 0.129 nan 8.300 nan 0.000 0.461 20 R N 4.690 124.869 120.500 -0.535 0.000 2.312 20 R HA 0.575 4.915 4.340 -0.000 0.000 0.311 20 R C -0.915 174.873 176.300 -0.852 0.000 1.004 20 R CA -0.213 55.545 56.100 -0.571 0.000 0.902 20 R CB 1.413 31.482 30.300 -0.385 0.000 1.073 20 R HN 0.831 nan 8.270 nan 0.000 0.457 21 T N 0.555 114.640 114.554 -0.781 0.000 2.910 21 T HA 0.111 4.461 4.350 -0.000 0.000 0.287 21 T C 1.071 175.441 174.700 -0.550 0.000 1.050 21 T CA -0.323 61.291 62.100 -0.810 0.000 1.011 21 T CB 1.621 69.681 68.868 -1.347 0.000 1.195 21 T HN 0.726 nan 8.240 nan 0.000 0.540 22 S N 0.365 115.824 115.700 -0.402 0.000 2.474 22 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 22 S C 1.575 176.124 174.600 -0.085 0.000 0.997 22 S CA 1.048 59.140 58.200 -0.180 0.000 0.949 22 S CB -0.808 62.358 63.200 -0.057 0.000 0.766 22 S HN 0.732 nan 8.310 nan 0.000 0.517 23 F N 0.025 119.956 119.950 -0.031 0.000 2.714 23 F HA 0.686 5.213 4.527 -0.000 0.000 0.294 23 F C 0.914 176.697 175.800 -0.029 0.000 1.120 23 F CA -0.212 57.778 58.000 -0.017 0.000 1.398 23 F CB -0.135 38.880 39.000 0.025 0.000 1.120 23 F HN 0.407 nan 8.300 nan 0.000 0.589 24 G N 0.132 108.902 108.800 -0.050 0.000 2.345 24 G HA2 0.295 4.255 3.960 -0.000 0.000 0.310 24 G HA3 0.295 4.255 3.960 -0.000 0.000 0.310 24 G C -1.368 173.467 174.900 -0.107 0.000 1.476 24 G CA -0.760 44.334 45.100 -0.011 0.000 0.978 24 G HN 0.087 nan 8.290 nan 0.000 0.656 25 T N 0.540 115.054 114.554 -0.068 0.000 2.856 25 T HA 0.577 4.927 4.350 -0.000 0.000 0.292 25 T C 0.164 174.881 174.700 0.028 0.000 0.980 25 T CA -0.039 62.020 62.100 -0.067 0.000 1.091 25 T CB 1.731 70.556 68.868 -0.071 0.000 0.936 25 T HN 0.636 nan 8.240 nan 0.000 0.503 26 Q N 1.077 120.920 119.800 0.072 0.000 2.337 26 Q HA 0.500 4.840 4.340 -0.000 0.000 0.266 26 Q C 0.012 176.090 176.000 0.129 0.000 1.023 26 Q CA -0.570 55.312 55.803 0.132 0.000 0.829 26 Q CB 1.241 30.105 28.738 0.209 0.000 1.306 26 Q HN 0.727 nan 8.270 nan 0.000 0.449 27 S N 1.163 116.926 115.700 0.105 0.000 2.613 27 S HA 0.258 4.728 4.470 -0.000 0.000 0.235 27 S C -0.306 174.356 174.600 0.103 0.000 1.073 27 S CA -0.162 58.098 58.200 0.099 0.000 0.899 27 S CB 1.055 64.297 63.200 0.070 0.000 0.818 27 S HN 0.405 nan 8.310 nan 0.000 0.484 28 V N 2.263 122.230 119.914 0.089 0.000 2.808 28 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 28 V C -0.735 175.400 176.094 0.069 0.000 1.099 28 V CA -0.898 61.445 62.300 0.071 0.000 0.920 28 V CB 2.251 34.097 31.823 0.039 0.000 1.014 28 V HN 0.110 nan 8.190 nan 0.000 0.425 29 R N 2.706 123.244 120.500 0.063 0.000 2.368 29 R HA 0.463 4.803 4.340 -0.000 0.000 0.302 29 R C -0.522 175.788 176.300 0.017 0.000 1.002 29 R CA -0.342 55.794 56.100 0.059 0.000 0.929 29 R CB 1.555 31.934 30.300 0.131 0.000 1.073 29 R HN 0.950 nan 8.270 nan 0.000 0.464 30 E N 5.539 125.757 120.200 0.030 0.000 2.186 30 E HA 0.253 4.603 4.350 -0.000 0.000 0.255 30 E C -0.833 175.785 176.600 0.031 0.000 0.881 30 E CA -0.465 55.949 56.400 0.023 0.000 0.752 30 E CB 0.752 30.472 29.700 0.034 0.000 1.176 30 E HN 0.414 nan 8.360 nan 0.000 0.421 31 L N 3.329 124.566 121.223 0.025 0.000 2.416 31 L HA 0.586 4.926 4.340 -0.000 0.000 0.263 31 L C -0.285 176.610 176.870 0.040 0.000 1.065 31 L CA -1.044 53.817 54.840 0.036 0.000 0.798 31 L CB 0.995 43.078 42.059 0.040 0.000 1.267 31 L HN 0.541 nan 8.230 nan 0.000 0.467 32 L N 1.793 123.046 121.223 0.050 0.000 2.518 32 L HA 0.497 4.837 4.340 -0.000 0.000 0.262 32 L C -1.311 175.605 176.870 0.078 0.000 0.982 32 L CA -0.217 54.656 54.840 0.053 0.000 0.873 32 L CB 0.924 43.006 42.059 0.037 0.000 1.198 32 L HN 0.460 nan 8.230 nan 0.000 0.427 33 L N 4.504 125.790 121.223 0.105 0.000 2.375 33 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 33 L C -0.664 176.299 176.870 0.155 0.000 1.058 33 L CA -0.905 54.034 54.840 0.166 0.000 0.803 33 L CB 1.726 43.934 42.059 0.248 0.000 1.212 33 L HN 0.497 nan 8.230 nan 0.000 0.451 34 L N 1.583 122.915 121.223 0.182 0.000 2.386 34 L HA 0.589 4.929 4.340 -0.000 0.000 0.271 34 L C -0.540 176.316 176.870 -0.024 0.000 0.993 34 L CA -0.601 54.281 54.840 0.070 0.000 0.819 34 L CB 2.355 44.436 42.059 0.036 0.000 1.294 34 L HN 0.552 nan 8.230 nan 0.000 0.414 35 R N 2.073 122.452 120.500 -0.201 0.000 2.412 35 R HA 0.638 4.978 4.340 -0.000 0.000 0.304 35 R C -0.672 175.477 176.300 -0.252 0.000 1.066 35 R CA -0.271 55.530 56.100 -0.498 0.000 0.923 35 R CB 1.587 31.462 30.300 -0.708 0.000 1.156 35 R HN 0.799 nan 8.270 nan 0.000 0.513 36 A N 2.937 125.628 122.820 -0.214 0.000 2.354 36 A HA 0.503 4.823 4.320 -0.000 0.000 0.269 36 A C -0.570 176.968 177.584 -0.076 0.000 1.109 36 A CA -0.382 51.586 52.037 -0.114 0.000 0.800 36 A CB 1.193 20.152 19.000 -0.067 0.000 1.045 36 A HN 0.445 nan 8.150 nan 0.000 0.489 37 V N 2.775 122.695 119.914 0.011 0.000 2.444 37 V HA 0.540 4.660 4.120 -0.000 0.000 0.294 37 V C 0.436 176.564 176.094 0.057 0.000 1.022 37 V CA 0.041 62.385 62.300 0.073 0.000 0.850 37 V CB 1.657 33.628 31.823 0.246 0.000 0.992 37 V HN 1.187 nan 8.190 nan 0.000 0.426 38 T N 3.127 117.695 114.554 0.024 0.000 2.938 38 T HA 0.566 4.916 4.350 -0.000 0.000 0.285 38 T C -1.717 172.991 174.700 0.013 0.000 1.028 38 T CA -1.863 60.248 62.100 0.017 0.000 1.005 38 T CB 1.983 70.855 68.868 0.006 0.000 1.157 38 T HN 0.374 nan 8.240 nan 0.000 0.550 39 P HA -0.041 nan 4.420 nan 0.000 0.214 39 P C 1.584 178.880 177.300 -0.008 0.000 1.162 39 P CA 1.582 64.683 63.100 0.001 0.000 0.879 39 P CB -0.629 31.070 31.700 -0.002 0.000 0.786 40 A N 0.024 122.836 122.820 -0.014 0.000 1.952 40 A HA 0.201 4.521 4.320 -0.000 0.000 0.206 40 A C 1.614 179.189 177.584 -0.015 0.000 1.213 40 A CA 2.072 54.095 52.037 -0.022 0.000 0.690 40 A CB -1.465 17.513 19.000 -0.037 0.000 0.854 40 A HN 0.389 nan 8.150 nan 0.000 0.485 41 G N -2.012 106.781 108.800 -0.011 0.000 3.195 41 G HA2 0.553 4.513 3.960 -0.000 0.000 0.217 41 G HA3 0.553 4.513 3.960 -0.000 0.000 0.217 41 G C -1.198 173.691 174.900 -0.018 0.000 1.166 41 G CA 0.093 45.188 45.100 -0.009 0.000 0.812 41 G HN 0.718 nan 8.290 nan 0.000 0.617 42 E N -1.301 118.881 120.200 -0.029 0.000 2.312 42 E HA 0.655 5.005 4.350 -0.000 0.000 0.267 42 E C -0.435 176.114 176.600 -0.084 0.000 0.894 42 E CA -1.104 55.241 56.400 -0.092 0.000 0.773 42 E CB 2.272 31.863 29.700 -0.182 0.000 1.241 42 E HN 0.750 nan 8.360 nan 0.000 0.432 43 G N 0.775 109.490 108.800 -0.141 0.000 2.533 43 G HA2 0.556 4.516 3.960 -0.000 0.000 0.304 43 G HA3 0.556 4.516 3.960 -0.000 0.000 0.304 43 G C -1.798 173.007 174.900 -0.157 0.000 1.263 43 G CA -0.922 44.154 45.100 -0.040 0.000 0.964 43 G HN 0.420 nan 8.290 nan 0.000 0.479 44 W N -0.499 120.805 121.300 0.008 0.000 2.706 44 W HA 0.703 5.363 4.660 -0.000 0.000 0.346 44 W C 0.414 176.944 176.519 0.020 0.000 1.071 44 W CA -0.372 56.977 57.345 0.008 0.000 1.206 44 W CB 2.619 32.070 29.460 -0.015 0.000 1.413 44 W HN 0.796 nan 8.180 nan 0.000 0.542 45 G N 0.421 109.407 108.800 0.309 0.000 2.658 45 G HA2 0.658 4.618 3.960 -0.000 0.000 0.292 45 G HA3 0.658 4.618 3.960 -0.000 0.000 0.292 45 G C -1.931 173.099 174.900 0.217 0.000 1.320 45 G CA -0.711 44.523 45.100 0.222 0.000 0.933 45 G HN 0.401 nan 8.290 nan 0.000 0.476 46 E N -0.770 119.538 120.200 0.181 0.000 2.311 46 E HA 0.389 4.739 4.350 -0.000 0.000 0.281 46 E C -1.454 175.221 176.600 0.125 0.000 0.905 46 E CA -0.681 55.807 56.400 0.146 0.000 0.778 46 E CB 2.083 31.859 29.700 0.127 0.000 1.240 46 E HN 0.583 nan 8.360 nan 0.000 0.410 47 C N 4.669 124.025 119.300 0.092 0.000 2.350 47 C HA 0.418 4.878 4.460 -0.000 0.000 0.348 47 C C 1.522 176.537 174.990 0.042 0.000 1.260 47 C CA -0.341 58.718 59.018 0.067 0.000 1.966 47 C CB 0.185 27.960 27.740 0.057 0.000 2.380 47 C HN 0.685 nan 8.230 nan 0.000 0.535 48 V N 3.376 123.301 119.914 0.018 0.000 3.623 48 V HA 0.141 4.261 4.120 -0.000 0.000 0.271 48 V C 1.201 177.271 176.094 -0.040 0.000 1.248 48 V CA 0.788 63.071 62.300 -0.027 0.000 1.156 48 V CB -1.990 29.789 31.823 -0.073 0.000 0.870 48 V HN 0.979 nan 8.190 nan 0.000 0.453 49 T N -1.002 113.552 114.554 0.001 0.000 2.734 49 T HA 0.428 4.778 4.350 -0.000 0.000 0.314 49 T C -0.050 174.664 174.700 0.023 0.000 1.057 49 T CA 0.036 62.148 62.100 0.020 0.000 1.047 49 T CB 0.992 69.889 68.868 0.048 0.000 0.991 49 T HN 0.339 nan 8.240 nan 0.000 0.540 50 M N -0.121 119.507 119.600 0.048 0.000 2.777 50 M HA 0.564 5.044 4.480 -0.000 0.000 0.288 50 M C 1.979 178.341 176.300 0.103 0.000 1.181 50 M CA -0.980 54.352 55.300 0.054 0.000 0.758 50 M CB 1.081 33.700 32.600 0.031 0.000 1.757 50 M HN 0.758 nan 8.290 nan 0.000 0.453 51 A N 0.307 123.183 122.820 0.093 0.000 1.859 51 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 51 A C 0.977 178.658 177.584 0.162 0.000 1.198 51 A CA 2.166 54.273 52.037 0.116 0.000 0.629 51 A CB -1.062 17.988 19.000 0.084 0.000 0.830 51 A HN 0.848 nan 8.150 nan 0.000 0.446 52 G N -2.324 106.519 108.800 0.073 0.000 2.568 52 G HA2 0.527 4.487 3.960 -0.000 0.000 0.313 52 G HA3 0.527 4.487 3.960 -0.000 0.000 0.313 52 G C -3.056 171.801 174.900 -0.071 0.000 1.227 52 G CA -1.349 43.725 45.100 -0.044 0.000 0.979 52 G HN 0.050 nan 8.290 nan 0.000 0.486 53 P HA 0.238 nan 4.420 nan 0.000 0.244 53 P C 0.458 177.663 177.300 -0.159 0.000 1.769 53 P CA -0.035 62.975 63.100 -0.150 0.000 1.102 53 P CB 0.080 31.641 31.700 -0.230 0.000 1.937 54 L N -0.087 121.008 121.223 -0.212 0.000 2.547 54 L HA 0.121 4.461 4.340 -0.000 0.000 0.218 54 L C 2.126 178.735 176.870 -0.436 0.000 1.048 54 L CA 0.209 54.864 54.840 -0.308 0.000 0.859 54 L CB -0.517 41.324 42.059 -0.363 0.000 1.128 54 L HN 0.095 nan 8.230 nan 0.000 0.483 55 Y N 1.818 121.712 120.300 -0.676 0.000 2.231 55 Y HA 0.022 4.572 4.550 -0.000 0.000 0.294 55 Y C 1.334 177.122 175.900 -0.186 0.000 1.120 55 Y CA 0.639 58.460 58.100 -0.465 0.000 1.141 55 Y CB 0.378 38.603 38.460 -0.391 0.000 1.022 55 Y HN 0.204 nan 8.280 nan 0.000 0.523 56 S N -1.508 114.186 115.700 -0.009 0.000 2.720 56 S HA 0.271 4.741 4.470 -0.000 0.000 0.287 56 S C 0.606 175.197 174.600 -0.014 0.000 1.168 56 S CA -0.278 57.895 58.200 -0.045 0.000 0.832 56 S CB 0.902 64.129 63.200 0.046 0.000 1.166 56 S HN 0.312 nan 8.310 nan 0.000 0.493 57 S N -0.767 114.922 115.700 -0.018 0.000 2.603 57 S HA 0.083 4.552 4.470 -0.000 0.000 0.229 57 S C 0.183 174.845 174.600 0.104 0.000 0.972 57 S CA 0.142 58.344 58.200 0.003 0.000 0.935 57 S CB -0.723 62.463 63.200 -0.024 0.000 0.769 57 S HN 0.699 nan 8.310 nan 0.000 0.536 58 E N 1.194 121.462 120.200 0.114 0.000 2.249 58 E HA 0.486 4.836 4.350 -0.000 0.000 0.280 58 E C -0.986 175.780 176.600 0.278 0.000 1.016 58 E CA -0.858 55.648 56.400 0.176 0.000 0.830 58 E CB 0.838 30.590 29.700 0.088 0.000 1.081 58 E HN 0.616 nan 8.360 nan 0.000 0.395 59 Y N 0.610 120.927 120.300 0.029 0.000 2.562 59 Y HA 0.388 4.938 4.550 -0.000 0.000 0.345 59 Y C 0.589 176.513 175.900 0.041 0.000 1.045 59 Y CA -1.477 56.636 58.100 0.021 0.000 1.028 59 Y CB 0.248 38.712 38.460 0.007 0.000 1.297 59 Y HN 0.262 nan 8.280 nan 0.000 0.463 60 N N 1.169 119.901 118.700 0.052 0.000 2.064 60 N HA -0.234 4.506 4.740 -0.000 0.000 0.200 60 N C 0.801 176.229 175.510 -0.135 0.000 1.028 60 N CA 2.358 55.394 53.050 -0.023 0.000 0.880 60 N CB -0.277 38.232 38.487 0.037 0.000 1.062 60 N HN 0.834 nan 8.380 nan 0.000 0.454 61 D N -0.271 120.012 120.400 -0.196 0.000 2.178 61 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 61 D C 1.930 178.018 176.300 -0.353 0.000 0.980 61 D CA 1.091 54.968 54.000 -0.206 0.000 0.842 61 D CB -0.702 40.063 40.800 -0.058 0.000 0.948 61 D HN 0.397 nan 8.370 nan 0.000 0.472 62 G N 0.654 108.950 108.800 -0.841 0.000 2.408 62 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.217 62 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.217 62 G C 1.699 176.492 174.900 -0.178 0.000 1.150 62 G CA 1.000 45.755 45.100 -0.575 0.000 0.776 62 G HN 0.387 nan 8.290 nan 0.000 0.542 63 A N 0.732 123.459 122.820 -0.155 0.000 1.858 63 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 63 A C 2.105 179.668 177.584 -0.034 0.000 1.190 63 A CA 1.860 53.874 52.037 -0.039 0.000 0.617 63 A CB -0.531 18.455 19.000 -0.024 0.000 0.827 63 A HN 0.361 nan 8.150 nan 0.000 0.443 64 E N -1.145 119.035 120.200 -0.034 0.000 2.048 64 E HA -0.324 4.026 4.350 -0.000 0.000 0.202 64 E C 1.882 178.488 176.600 0.009 0.000 1.021 64 E CA 2.053 58.442 56.400 -0.018 0.000 0.825 64 E CB -0.349 29.350 29.700 -0.001 0.000 0.756 64 E HN 0.828 nan 8.360 nan 0.000 0.454 65 H N -0.070 118.991 119.070 -0.015 0.000 2.254 65 H HA -0.145 4.411 4.556 -0.000 0.000 0.294 65 H C 2.184 177.578 175.328 0.111 0.000 1.071 65 H CA 2.242 58.352 56.048 0.102 0.000 1.228 65 H CB -0.435 29.328 29.762 0.003 0.000 1.358 65 H HN 0.019 nan 8.280 nan 0.000 0.495 66 V N 0.317 120.298 119.914 0.111 0.000 2.324 66 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 66 V C 2.458 178.497 176.094 -0.091 0.000 1.060 66 V CA 2.005 64.271 62.300 -0.056 0.000 1.042 66 V CB -0.610 30.875 31.823 -0.564 0.000 0.650 66 V HN 0.419 nan 8.190 nan 0.000 0.450 67 L N -0.803 120.357 121.223 -0.105 0.000 1.944 67 L HA -0.233 4.107 4.340 -0.000 0.000 0.218 67 L C 2.818 179.570 176.870 -0.197 0.000 1.075 67 L CA 2.282 57.045 54.840 -0.128 0.000 0.767 67 L CB -0.728 41.273 42.059 -0.095 0.000 0.890 67 L HN 0.227 nan 8.230 nan 0.000 0.434 68 R N -0.751 119.599 120.500 -0.250 0.000 2.162 68 R HA -0.234 4.106 4.340 -0.000 0.000 0.245 68 R C 2.156 178.077 176.300 -0.632 0.000 1.129 68 R CA 2.034 57.856 56.100 -0.462 0.000 0.940 68 R CB -0.679 29.262 30.300 -0.598 0.000 0.875 68 R HN 0.575 nan 8.270 nan 0.000 0.437 69 H N -2.477 116.367 119.070 -0.376 0.000 2.525 69 H HA 0.019 4.575 4.556 -0.000 0.000 0.275 69 H C 0.958 175.826 175.328 -0.767 0.000 0.984 69 H CA 1.004 56.715 56.048 -0.561 0.000 1.264 69 H CB 0.381 29.745 29.762 -0.665 0.000 1.432 69 H HN 0.322 nan 8.280 nan 0.000 0.549 70 Y N -0.510 119.611 120.300 -0.300 0.000 2.769 70 Y HA 0.096 4.646 4.550 -0.000 0.000 0.266 70 Y C 2.451 178.011 175.900 -0.568 0.000 1.091 70 Y CA -0.171 57.588 58.100 -0.568 0.000 1.272 70 Y CB 0.066 37.934 38.460 -0.988 0.000 1.469 70 Y HN -0.133 nan 8.280 nan 0.000 0.475 71 L N 0.080 121.128 121.223 -0.292 0.000 1.961 71 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 71 L C 2.085 178.911 176.870 -0.073 0.000 1.075 71 L CA 1.652 56.407 54.840 -0.140 0.000 0.749 71 L CB -0.924 41.078 42.059 -0.095 0.000 0.890 71 L HN 0.193 nan 8.230 nan 0.000 0.433 72 I N 0.033 120.526 120.570 -0.129 0.000 2.145 72 I HA -0.255 3.915 4.170 -0.000 0.000 0.244 72 I C -0.319 175.717 176.117 -0.135 0.000 1.075 72 I CA 1.707 62.919 61.300 -0.146 0.000 1.332 72 I CB -1.726 36.146 38.000 -0.213 0.000 1.033 72 I HN 0.237 nan 8.210 nan 0.000 0.410 73 P HA -0.239 nan 4.420 nan 0.000 0.214 73 P C 1.591 178.870 177.300 -0.035 0.000 1.163 73 P CA 2.267 65.295 63.100 -0.120 0.000 0.889 73 P CB -0.157 31.454 31.700 -0.149 0.000 0.790 74 A N -0.167 122.675 122.820 0.036 0.000 1.909 74 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 74 A C 2.301 179.926 177.584 0.068 0.000 1.223 74 A CA 2.358 54.475 52.037 0.133 0.000 0.658 74 A CB -1.821 17.363 19.000 0.306 0.000 0.831 74 A HN 0.162 nan 8.150 nan 0.000 0.462 75 L N -1.079 120.165 121.223 0.036 0.000 2.156 75 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 75 L C 2.506 179.370 176.870 -0.009 0.000 1.095 75 L CA 0.657 55.506 54.840 0.015 0.000 0.770 75 L CB -0.596 41.465 42.059 0.003 0.000 0.914 75 L HN 0.351 nan 8.230 nan 0.000 0.439 76 L N 0.366 121.567 121.223 -0.037 0.000 2.079 76 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 76 L C 2.674 179.528 176.870 -0.027 0.000 1.081 76 L CA 1.152 55.962 54.840 -0.051 0.000 0.752 76 L CB -0.668 41.335 42.059 -0.093 0.000 0.896 76 L HN 0.258 nan 8.230 nan 0.000 0.433 77 A N -0.217 122.593 122.820 -0.016 0.000 2.239 77 A HA 0.311 4.631 4.320 -0.000 0.000 0.209 77 A C 1.160 178.746 177.584 0.003 0.000 1.171 77 A CA 0.622 52.656 52.037 -0.005 0.000 0.768 77 A CB -0.504 18.498 19.000 0.004 0.000 0.790 77 A HN 0.293 nan 8.150 nan 0.000 0.478 78 A N 0.086 122.909 122.820 0.005 0.000 2.310 78 A HA 0.561 4.881 4.320 -0.000 0.000 0.299 78 A C 0.882 178.470 177.584 0.007 0.000 1.147 78 A CA -0.145 51.898 52.037 0.009 0.000 0.818 78 A CB 0.505 19.513 19.000 0.013 0.000 1.096 78 A HN 0.337 nan 8.150 nan 0.000 0.495 79 E N 1.366 121.571 120.200 0.008 0.000 2.001 79 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 79 E C -0.033 176.574 176.600 0.011 0.000 0.994 79 E CA 1.304 57.709 56.400 0.008 0.000 0.815 79 E CB -0.283 29.421 29.700 0.008 0.000 0.770 79 E HN 0.603 nan 8.360 nan 0.000 0.453 80 D N -0.448 119.960 120.400 0.014 0.000 2.163 80 D HA 0.427 5.067 4.640 -0.000 0.000 0.248 80 D C -0.843 175.469 176.300 0.020 0.000 1.035 80 D CA -0.496 53.514 54.000 0.018 0.000 0.872 80 D CB 0.862 41.673 40.800 0.019 0.000 1.183 80 D HN 0.041 nan 8.370 nan 0.000 0.445 81 I N 2.283 122.867 120.570 0.024 0.000 2.478 81 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 81 I C -0.596 175.543 176.117 0.036 0.000 1.042 81 I CA -0.445 60.871 61.300 0.027 0.000 1.067 81 I CB 2.199 40.212 38.000 0.022 0.000 1.233 81 I HN 0.177 nan 8.210 nan 0.000 0.431 82 T N 3.979 118.554 114.554 0.036 0.000 2.876 82 T HA 0.346 4.696 4.350 -0.000 0.000 0.289 82 T C 0.975 175.697 174.700 0.037 0.000 1.014 82 T CA -0.322 61.801 62.100 0.039 0.000 0.986 82 T CB 2.118 71.005 68.868 0.032 0.000 1.021 82 T HN 0.679 nan 8.240 nan 0.000 0.458 83 A N 2.083 124.926 122.820 0.040 0.000 1.958 83 A HA -0.048 4.272 4.320 -0.000 0.000 0.221 83 A C 2.398 179.999 177.584 0.029 0.000 1.178 83 A CA 2.336 54.396 52.037 0.038 0.000 0.642 83 A CB -1.017 17.999 19.000 0.026 0.000 0.816 83 A HN 0.972 nan 8.150 nan 0.000 0.453 84 A N -0.369 122.462 122.820 0.019 0.000 1.855 84 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 84 A C 2.075 179.672 177.584 0.021 0.000 1.191 84 A CA 1.734 53.780 52.037 0.015 0.000 0.613 84 A CB -0.462 18.543 19.000 0.007 0.000 0.829 84 A HN 0.522 nan 8.150 nan 0.000 0.442 85 K N -0.170 120.243 120.400 0.022 0.000 2.360 85 K HA -0.020 4.300 4.320 -0.000 0.000 0.201 85 K C 1.659 178.277 176.600 0.030 0.000 1.046 85 K CA 0.916 57.217 56.287 0.023 0.000 0.945 85 K CB -0.293 32.220 32.500 0.021 0.000 0.750 85 K HN 0.302 nan 8.250 nan 0.000 0.464 86 V N 1.212 121.148 119.914 0.037 0.000 2.380 86 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 86 V C 2.055 178.182 176.094 0.055 0.000 1.063 86 V CA 2.123 64.451 62.300 0.048 0.000 1.055 86 V CB -0.636 31.219 31.823 0.054 0.000 0.657 86 V HN 0.417 nan 8.190 nan 0.000 0.455 87 T N 0.437 115.018 114.554 0.045 0.000 2.701 87 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 87 T C -0.023 174.697 174.700 0.034 0.000 1.040 87 T CA 1.918 64.044 62.100 0.044 0.000 1.147 87 T CB -1.218 67.670 68.868 0.033 0.000 0.865 87 T HN 0.492 nan 8.240 nan 0.000 0.426 88 P HA 0.068 nan 4.420 nan 0.000 0.221 88 P C 1.467 178.765 177.300 -0.004 0.000 1.150 88 P CA 0.787 63.889 63.100 0.004 0.000 0.800 88 P CB -0.234 31.468 31.700 0.003 0.000 0.787 89 L N -0.954 120.279 121.223 0.017 0.000 2.005 89 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 89 L C 2.280 179.169 176.870 0.032 0.000 1.072 89 L CA 1.289 56.144 54.840 0.024 0.000 0.744 89 L CB -0.932 41.156 42.059 0.048 0.000 0.895 89 L HN -0.128 nan 8.230 nan 0.000 0.433 90 L N -0.447 120.830 121.223 0.090 0.000 2.627 90 L HA 0.101 4.441 4.340 -0.000 0.000 0.233 90 L C 2.456 179.367 176.870 0.068 0.000 1.144 90 L CA -0.049 54.905 54.840 0.190 0.000 0.892 90 L CB -0.663 41.549 42.059 0.254 0.000 1.039 90 L HN 0.160 nan 8.230 nan 0.000 0.442 91 A N 1.982 124.784 122.820 -0.030 0.000 1.902 91 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 91 A C 2.374 179.874 177.584 -0.141 0.000 1.181 91 A CA 1.911 53.919 52.037 -0.049 0.000 0.623 91 A CB -0.352 18.622 19.000 -0.042 0.000 0.818 91 A HN 0.583 nan 8.150 nan 0.000 0.443 92 K N -0.986 119.216 120.400 -0.330 0.000 2.362 92 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 92 K C -0.423 175.916 176.600 -0.436 0.000 1.045 92 K CA 0.931 56.955 56.287 -0.437 0.000 0.936 92 K CB -0.568 31.581 32.500 -0.584 0.000 0.747 92 K HN 0.402 nan 8.250 nan 0.000 0.467 93 F N 2.655 122.619 119.950 0.024 0.000 2.405 93 F HA 0.288 4.815 4.527 -0.000 0.000 0.355 93 F C 0.270 176.093 175.800 0.038 0.000 1.121 93 F CA -1.369 56.640 58.000 0.015 0.000 1.112 93 F CB 0.987 39.994 39.000 0.012 0.000 1.126 93 F HN -0.282 nan 8.300 nan 0.000 0.481 94 K N 3.230 123.748 120.400 0.197 0.000 2.379 94 K HA 0.402 4.722 4.320 -0.000 0.000 0.284 94 K C 0.769 177.455 176.600 0.144 0.000 1.044 94 K CA 0.388 56.748 56.287 0.122 0.000 0.974 94 K CB 0.722 33.259 32.500 0.061 0.000 0.962 94 K HN 0.938 nan 8.250 nan 0.000 0.474 95 G N 2.279 111.121 108.800 0.071 0.000 2.528 95 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.262 95 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.262 95 G C -0.237 174.693 174.900 0.050 0.000 1.200 95 G CA 0.112 45.202 45.100 -0.017 0.000 0.951 95 G HN 0.897 nan 8.290 nan 0.000 0.566 96 H N 0.018 119.105 119.070 0.028 0.000 2.791 96 H HA -0.176 4.380 4.556 -0.000 0.000 0.302 96 H C 2.121 177.468 175.328 0.031 0.000 1.198 96 H CA 1.487 57.549 56.048 0.024 0.000 1.145 96 H CB -1.019 28.750 29.762 0.012 0.000 1.385 96 H HN 0.687 nan 8.280 nan 0.000 0.409 97 R N 0.250 120.783 120.500 0.055 0.000 2.080 97 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 97 R C 2.494 178.827 176.300 0.056 0.000 1.137 97 R CA 2.038 58.169 56.100 0.052 0.000 0.943 97 R CB -0.140 30.172 30.300 0.021 0.000 0.846 97 R HN 0.348 nan 8.270 nan 0.000 0.431 98 M N 0.347 119.977 119.600 0.051 0.000 2.149 98 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 98 M C 2.534 178.874 176.300 0.066 0.000 1.064 98 M CA 1.838 57.166 55.300 0.047 0.000 1.102 98 M CB -0.610 32.014 32.600 0.039 0.000 1.369 98 M HN 0.216 nan 8.290 nan 0.000 0.408 99 A N 1.507 124.382 122.820 0.091 0.000 1.855 99 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 99 A C 2.224 179.854 177.584 0.077 0.000 1.191 99 A CA 1.637 53.725 52.037 0.085 0.000 0.613 99 A CB -0.528 18.532 19.000 0.100 0.000 0.829 99 A HN 0.490 nan 8.150 nan 0.000 0.442 100 K N -0.506 119.950 120.400 0.094 0.000 2.097 100 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 100 K C 2.062 178.714 176.600 0.086 0.000 1.049 100 K CA 1.045 57.385 56.287 0.089 0.000 0.933 100 K CB -0.469 32.094 32.500 0.104 0.000 0.717 100 K HN 0.461 nan 8.250 nan 0.000 0.442 101 G N 1.605 110.453 108.800 0.079 0.000 2.440 101 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 101 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 101 G C 1.677 176.660 174.900 0.138 0.000 1.154 101 G CA 1.020 46.171 45.100 0.085 0.000 0.767 101 G HN 0.365 nan 8.290 nan 0.000 0.552 102 A N 0.291 123.183 122.820 0.121 0.000 1.898 102 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 102 A C 2.344 180.006 177.584 0.131 0.000 1.181 102 A CA 1.630 53.751 52.037 0.140 0.000 0.620 102 A CB -0.501 18.562 19.000 0.106 0.000 0.819 102 A HN 0.382 nan 8.150 nan 0.000 0.442 103 L N 0.433 121.712 121.223 0.092 0.000 1.971 103 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 103 L C 2.384 179.312 176.870 0.097 0.000 1.072 103 L CA 2.799 57.681 54.840 0.070 0.000 0.758 103 L CB -0.939 41.148 42.059 0.045 0.000 0.889 103 L HN 0.647 nan 8.230 nan 0.000 0.433 104 E N -0.916 119.351 120.200 0.112 0.000 2.130 104 E HA -0.318 4.032 4.350 -0.000 0.000 0.196 104 E C 2.236 178.944 176.600 0.181 0.000 0.998 104 E CA 1.824 58.299 56.400 0.125 0.000 0.806 104 E CB -0.248 29.523 29.700 0.119 0.000 0.738 104 E HN 0.609 nan 8.360 nan 0.000 0.459 105 M N 0.544 120.289 119.600 0.243 0.000 2.065 105 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 105 M C 2.334 178.799 176.300 0.274 0.000 1.071 105 M CA 2.197 57.699 55.300 0.338 0.000 1.109 105 M CB -0.280 32.544 32.600 0.372 0.000 1.313 105 M HN 0.208 nan 8.290 nan 0.000 0.408 106 A N -0.095 122.838 122.820 0.188 0.000 1.884 106 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 106 A C 2.062 179.715 177.584 0.116 0.000 1.197 106 A CA 2.497 54.613 52.037 0.131 0.000 0.637 106 A CB -1.483 17.554 19.000 0.061 0.000 0.827 106 A HN 0.487 nan 8.150 nan 0.000 0.450 107 V N -0.370 119.604 119.914 0.101 0.000 2.287 107 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 107 V C 2.507 178.675 176.094 0.123 0.000 1.053 107 V CA 2.096 64.448 62.300 0.086 0.000 1.027 107 V CB -0.949 30.916 31.823 0.070 0.000 0.646 107 V HN 0.592 nan 8.190 nan 0.000 0.447 108 L N 0.802 122.122 121.223 0.162 0.000 2.012 108 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 108 L C 2.182 179.241 176.870 0.316 0.000 1.073 108 L CA 2.544 57.489 54.840 0.176 0.000 0.748 108 L CB -0.931 41.188 42.059 0.100 0.000 0.891 108 L HN 0.434 nan 8.230 nan 0.000 0.431 109 D N -0.685 119.960 120.400 0.409 0.000 2.149 109 D HA -0.196 4.444 4.640 -0.000 0.000 0.198 109 D C 2.074 178.492 176.300 0.197 0.000 0.990 109 D CA 1.416 55.616 54.000 0.333 0.000 0.839 109 D CB -0.016 40.869 40.800 0.141 0.000 0.948 109 D HN 0.470 nan 8.370 nan 0.000 0.460 110 A N 0.390 123.295 122.820 0.141 0.000 1.858 110 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 110 A C 2.217 179.857 177.584 0.093 0.000 1.190 110 A CA 1.908 53.997 52.037 0.087 0.000 0.617 110 A CB -0.876 18.152 19.000 0.048 0.000 0.827 110 A HN 0.408 nan 8.150 nan 0.000 0.443 111 E N -0.101 120.171 120.200 0.120 0.000 2.038 111 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 111 E C 1.971 178.702 176.600 0.217 0.000 1.000 111 E CA 1.388 57.881 56.400 0.155 0.000 0.803 111 E CB -0.258 29.535 29.700 0.156 0.000 0.750 111 E HN 0.606 nan 8.360 nan 0.000 0.448 112 L N 0.124 121.473 121.223 0.209 0.000 2.083 112 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 112 L C 2.813 179.788 176.870 0.175 0.000 1.083 112 L CA 1.260 56.229 54.840 0.215 0.000 0.752 112 L CB -0.427 41.784 42.059 0.255 0.000 0.899 112 L HN 0.128 nan 8.230 nan 0.000 0.433 113 R N -0.150 120.432 120.500 0.137 0.000 2.120 113 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 113 R C 2.443 178.771 176.300 0.047 0.000 1.123 113 R CA 1.171 57.323 56.100 0.087 0.000 0.975 113 R CB -0.373 29.972 30.300 0.075 0.000 0.866 113 R HN 0.362 nan 8.270 nan 0.000 0.446 114 A N 0.660 123.489 122.820 0.016 0.000 1.877 114 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 114 A C 1.460 178.944 177.584 -0.166 0.000 1.186 114 A CA 1.184 53.158 52.037 -0.105 0.000 0.620 114 A CB -0.471 18.417 19.000 -0.186 0.000 0.822 114 A HN 0.328 nan 8.150 nan 0.000 0.443 115 H N -1.100 117.992 119.070 0.037 0.000 2.533 115 H HA 0.156 4.712 4.556 -0.000 0.000 0.271 115 H C -0.122 175.226 175.328 0.033 0.000 1.000 115 H CA 0.664 56.731 56.048 0.031 0.000 1.149 115 H CB -0.027 29.753 29.762 0.030 0.000 1.375 115 H HN 0.654 nan 8.280 nan 0.000 0.582 116 E N 0.736 121.006 120.200 0.116 0.000 2.389 116 E HA -0.206 4.144 4.350 -0.000 0.000 0.243 116 E C -0.002 176.656 176.600 0.097 0.000 1.154 116 E CA 0.155 56.606 56.400 0.086 0.000 0.723 116 E CB -0.488 29.249 29.700 0.061 0.000 1.261 116 E HN 0.379 nan 8.360 nan 0.000 0.390 117 R N 0.224 120.797 120.500 0.123 0.000 2.732 117 R HA 0.473 4.813 4.340 -0.000 0.000 0.278 117 R C 0.031 176.404 176.300 0.122 0.000 0.976 117 R CA 0.011 56.175 56.100 0.106 0.000 0.963 117 R CB 1.400 31.755 30.300 0.092 0.000 1.150 117 R HN 0.169 nan 8.270 nan 0.000 0.478 118 S N 1.288 117.053 115.700 0.108 0.000 2.652 118 S HA 0.180 4.650 4.470 -0.000 0.000 0.270 118 S C 0.978 175.704 174.600 0.209 0.000 1.243 118 S CA -0.594 57.690 58.200 0.140 0.000 0.999 118 S CB 0.603 63.862 63.200 0.097 0.000 0.973 118 S HN 0.510 nan 8.310 nan 0.000 0.544 119 F N 1.544 121.481 119.950 -0.022 0.000 2.075 119 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 119 F C 2.862 178.638 175.800 -0.040 0.000 1.113 119 F CA 1.168 59.138 58.000 -0.050 0.000 1.218 119 F CB -1.464 37.469 39.000 -0.112 0.000 0.984 119 F HN 0.824 nan 8.300 nan 0.000 0.472 120 A N 0.143 123.061 122.820 0.163 0.000 1.896 120 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 120 A C 2.462 180.063 177.584 0.028 0.000 1.206 120 A CA 2.913 54.988 52.037 0.064 0.000 0.647 120 A CB -1.579 17.455 19.000 0.057 0.000 0.828 120 A HN 0.404 nan 8.150 nan 0.000 0.455 121 A N -1.107 121.737 122.820 0.040 0.000 1.902 121 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 121 A C 1.970 179.553 177.584 -0.002 0.000 1.181 121 A CA 2.262 54.312 52.037 0.022 0.000 0.623 121 A CB -0.544 18.475 19.000 0.032 0.000 0.818 121 A HN 0.559 nan 8.150 nan 0.000 0.443 122 E N 0.320 120.511 120.200 -0.015 0.000 2.058 122 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 122 E C 1.829 178.390 176.600 -0.066 0.000 0.997 122 E CA 1.452 57.817 56.400 -0.058 0.000 0.801 122 E CB -0.421 29.205 29.700 -0.123 0.000 0.746 122 E HN 0.608 nan 8.360 nan 0.000 0.450 123 L N -1.357 119.821 121.223 -0.076 0.000 2.201 123 L HA 0.041 4.381 4.340 -0.000 0.000 0.212 123 L C 1.329 178.172 176.870 -0.044 0.000 1.105 123 L CA 0.701 55.500 54.840 -0.068 0.000 0.775 123 L CB -0.410 41.604 42.059 -0.075 0.000 0.913 123 L HN 0.458 nan 8.230 nan 0.000 0.440 124 G N 0.773 109.557 108.800 -0.026 0.000 2.270 124 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.224 124 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.224 124 G C 0.279 175.178 174.900 -0.002 0.000 1.079 124 G CA 0.230 45.327 45.100 -0.005 0.000 0.807 124 G HN 0.408 nan 8.290 nan 0.000 0.492 125 S N -1.178 114.518 115.700 -0.007 0.000 2.573 125 S HA 0.474 4.944 4.470 -0.000 0.000 0.277 125 S C 1.558 176.171 174.600 0.022 0.000 1.346 125 S CA 0.843 59.042 58.200 -0.001 0.000 1.034 125 S CB 1.691 64.890 63.200 -0.001 0.000 0.879 125 S HN 1.690 nan 8.310 nan 0.000 0.528 126 V N 0.521 120.456 119.914 0.036 0.000 3.502 126 V HA 0.499 4.619 4.120 -0.000 0.000 0.288 126 V C 0.736 176.859 176.094 0.047 0.000 1.461 126 V CA -0.397 61.930 62.300 0.045 0.000 1.029 126 V CB -0.760 31.098 31.823 0.059 0.000 0.843 126 V HN 0.759 nan 8.190 nan 0.000 0.438 127 R N 0.417 120.945 120.500 0.048 0.000 2.797 127 R HA 0.535 4.875 4.340 -0.000 0.000 0.251 127 R C -0.154 176.173 176.300 0.045 0.000 1.107 127 R CA -0.225 55.907 56.100 0.054 0.000 1.084 127 R CB 1.527 31.869 30.300 0.069 0.000 1.205 127 R HN 0.155 nan 8.270 nan 0.000 0.515 128 D N -0.982 119.449 120.400 0.050 0.000 2.469 128 D HA 0.048 4.688 4.640 -0.000 0.000 0.240 128 D C -0.164 176.174 176.300 0.064 0.000 1.087 128 D CA 0.502 54.529 54.000 0.046 0.000 0.876 128 D CB 0.689 41.508 40.800 0.032 0.000 1.160 128 D HN 0.422 nan 8.370 nan 0.000 0.497 129 S N 0.175 115.930 115.700 0.092 0.000 2.569 129 S HA 0.711 5.181 4.470 -0.000 0.000 0.280 129 S C -0.639 174.095 174.600 0.224 0.000 1.111 129 S CA -0.755 57.536 58.200 0.153 0.000 0.887 129 S CB 2.269 65.558 63.200 0.149 0.000 1.095 129 S HN -0.003 nan 8.310 nan 0.000 0.476 130 V N -1.658 118.373 119.914 0.195 0.000 2.914 130 V HA 0.873 4.993 4.120 -0.000 0.000 0.314 130 V C -3.113 172.846 176.094 -0.225 0.000 1.084 130 V CA -2.828 59.504 62.300 0.054 0.000 0.963 130 V CB 1.613 33.432 31.823 -0.006 0.000 1.025 130 V HN 0.802 nan 8.190 nan 0.000 0.432 131 P HA 0.483 nan 4.420 nan 0.000 0.284 131 P C -0.867 176.276 177.300 -0.262 0.000 1.253 131 P CA -0.276 62.376 63.100 -0.746 0.000 0.800 131 P CB 1.079 32.477 31.700 -0.503 0.000 0.961 132 C N 2.508 121.700 119.300 -0.181 0.000 2.507 132 C HA 0.863 5.323 4.460 -0.000 0.000 0.319 132 C C 0.918 175.967 174.990 0.097 0.000 1.208 132 C CA -0.257 58.758 59.018 -0.006 0.000 1.619 132 C CB 1.523 29.295 27.740 0.053 0.000 2.230 132 C HN 0.711 nan 8.230 nan 0.000 0.492 133 G N 0.288 109.127 108.800 0.064 0.000 2.932 133 G HA2 0.761 4.721 3.960 -0.000 0.000 0.283 133 G HA3 0.761 4.721 3.960 -0.000 0.000 0.283 133 G C -1.418 173.394 174.900 -0.147 0.000 1.336 133 G CA -0.435 44.669 45.100 0.006 0.000 1.056 133 G HN 0.879 nan 8.290 nan 0.000 0.522 134 V N -0.889 118.820 119.914 -0.343 0.000 3.007 134 V HA 0.742 4.862 4.120 -0.000 0.000 0.311 134 V C -0.492 175.363 176.094 -0.397 0.000 1.120 134 V CA -0.706 61.238 62.300 -0.594 0.000 0.980 134 V CB 2.240 33.301 31.823 -1.271 0.000 1.033 134 V HN 0.898 nan 8.190 nan 0.000 0.429 135 S N 4.632 120.137 115.700 -0.325 0.000 2.404 135 S HA 0.579 5.049 4.470 -0.000 0.000 0.309 135 S C -0.740 173.844 174.600 -0.026 0.000 1.076 135 S CA -0.468 57.684 58.200 -0.079 0.000 1.095 135 S CB 0.330 63.578 63.200 0.080 0.000 0.972 135 S HN 0.735 nan 8.310 nan 0.000 0.484 136 V N 5.526 125.435 119.914 -0.008 0.000 2.407 136 V HA 0.558 4.678 4.120 -0.000 0.000 0.278 136 V C 1.389 177.581 176.094 0.163 0.000 1.037 136 V CA -0.443 61.904 62.300 0.078 0.000 0.900 136 V CB 1.066 32.924 31.823 0.059 0.000 0.983 136 V HN 0.913 nan 8.190 nan 0.000 0.459 137 G N 3.801 112.689 108.800 0.147 0.000 2.611 137 G HA2 0.469 4.429 3.960 -0.000 0.000 0.273 137 G HA3 0.469 4.429 3.960 -0.000 0.000 0.273 137 G C -0.225 174.617 174.900 -0.096 0.000 1.305 137 G CA -0.739 44.280 45.100 -0.135 0.000 1.010 137 G HN 0.626 nan 8.290 nan 0.000 0.509 138 I N 0.925 121.297 120.570 -0.330 0.000 2.441 138 I HA 0.135 4.305 4.170 -0.000 0.000 0.287 138 I C 0.373 176.103 176.117 -0.645 0.000 1.049 138 I CA -0.192 60.721 61.300 -0.646 0.000 1.381 138 I CB 1.161 38.674 38.000 -0.811 0.000 1.409 138 I HN 0.121 nan 8.210 nan 0.000 0.523 139 M N 4.253 123.357 119.600 -0.828 0.000 2.573 139 M HA 0.230 4.710 4.480 -0.000 0.000 0.309 139 M C 0.790 176.634 176.300 -0.759 0.000 1.202 139 M CA -0.394 54.616 55.300 -0.483 0.000 0.975 139 M CB 0.916 33.516 32.600 -0.000 0.000 1.600 139 M HN 0.460 nan 8.290 nan 0.000 0.479 140 D N 0.555 120.757 120.400 -0.329 0.000 2.347 140 D HA 0.068 4.707 4.640 -0.000 0.000 0.213 140 D C -0.181 176.086 176.300 -0.056 0.000 0.985 140 D CA 0.940 54.802 54.000 -0.230 0.000 0.879 140 D CB 0.664 41.390 40.800 -0.123 0.000 0.919 140 D HN 0.514 nan 8.370 nan 0.000 0.526 141 T N -0.202 114.393 114.554 0.068 0.000 2.889 141 T HA 0.243 4.593 4.350 -0.000 0.000 0.315 141 T C 1.434 176.348 174.700 0.357 0.000 1.291 141 T CA -0.715 61.518 62.100 0.222 0.000 1.028 141 T CB 2.326 71.262 68.868 0.114 0.000 1.235 141 T HN -0.286 nan 8.240 nan 0.000 0.491 142 I N 2.209 122.945 120.570 0.277 0.000 2.039 142 I HA -0.120 4.049 4.170 -0.000 0.000 0.233 142 I C -0.606 175.604 176.117 0.155 0.000 1.040 142 I CA 1.658 63.065 61.300 0.178 0.000 1.308 142 I CB -1.697 36.333 38.000 0.050 0.000 1.035 142 I HN 0.493 nan 8.210 nan 0.000 0.392 143 P HA -0.264 nan 4.420 nan 0.000 0.220 143 P C 1.628 178.994 177.300 0.110 0.000 1.155 143 P CA 1.846 64.999 63.100 0.088 0.000 0.880 143 P CB -0.259 31.477 31.700 0.060 0.000 0.790 144 Q N -0.804 119.066 119.800 0.117 0.000 1.998 144 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 144 Q C 2.194 178.281 176.000 0.145 0.000 1.002 144 Q CA 1.907 57.776 55.803 0.110 0.000 0.858 144 Q CB -0.888 27.909 28.738 0.099 0.000 0.932 144 Q HN 0.104 nan 8.270 nan 0.000 0.416 145 L N 0.473 121.825 121.223 0.215 0.000 1.971 145 L HA -0.239 4.101 4.340 -0.000 0.000 0.215 145 L C 2.335 179.335 176.870 0.217 0.000 1.072 145 L CA 1.728 56.719 54.840 0.252 0.000 0.758 145 L CB -0.574 41.708 42.059 0.371 0.000 0.889 145 L HN 0.395 nan 8.230 nan 0.000 0.433 146 L N -0.537 120.815 121.223 0.215 0.000 2.034 146 L HA -0.333 4.007 4.340 -0.000 0.000 0.217 146 L C 2.367 179.429 176.870 0.321 0.000 1.077 146 L CA 1.751 56.771 54.840 0.300 0.000 0.769 146 L CB -0.870 41.294 42.059 0.175 0.000 0.890 146 L HN 0.432 nan 8.230 nan 0.000 0.435 147 D N -0.564 119.950 120.400 0.191 0.000 2.078 147 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 147 D C 2.261 178.604 176.300 0.072 0.000 0.990 147 D CA 1.430 55.511 54.000 0.135 0.000 0.827 147 D CB -0.318 40.530 40.800 0.080 0.000 0.975 147 D HN 0.086 nan 8.370 nan 0.000 0.451 148 V N 0.863 120.811 119.914 0.058 0.000 2.250 148 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 148 V C 2.713 178.790 176.094 -0.028 0.000 1.060 148 V CA 1.350 63.638 62.300 -0.020 0.000 1.030 148 V CB -0.760 31.128 31.823 0.109 0.000 0.643 148 V HN 0.044 nan 8.190 nan 0.000 0.445 149 V N 0.780 120.744 119.914 0.084 0.000 2.219 149 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 149 V C 2.702 178.657 176.094 -0.232 0.000 1.053 149 V CA 2.600 64.901 62.300 0.002 0.000 1.009 149 V CB -1.572 30.224 31.823 -0.045 0.000 0.636 149 V HN 0.641 nan 8.190 nan 0.000 0.445 150 G N -0.511 108.064 108.800 -0.375 0.000 2.503 150 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.221 150 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.221 150 G C 1.583 176.397 174.900 -0.143 0.000 1.131 150 G CA 1.282 46.155 45.100 -0.379 0.000 0.756 150 G HN 0.669 nan 8.290 nan 0.000 0.572 151 G N 0.104 108.829 108.800 -0.125 0.000 2.514 151 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 151 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 151 G C 1.598 176.417 174.900 -0.133 0.000 1.198 151 G CA 1.088 46.084 45.100 -0.173 0.000 0.780 151 G HN 0.512 nan 8.290 nan 0.000 0.565 152 Y N 0.343 120.626 120.300 -0.027 0.000 2.207 152 Y HA -0.037 4.513 4.550 -0.000 0.000 0.287 152 Y C 2.844 178.800 175.900 0.095 0.000 1.156 152 Y CA 0.607 58.734 58.100 0.044 0.000 1.182 152 Y CB -0.251 38.142 38.460 -0.112 0.000 0.979 152 Y HN 0.079 nan 8.280 nan 0.000 0.521 153 L N -0.270 121.007 121.223 0.090 0.000 2.042 153 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 153 L C 1.922 178.816 176.870 0.040 0.000 1.076 153 L CA 1.288 56.138 54.840 0.017 0.000 0.749 153 L CB -0.443 41.519 42.059 -0.162 0.000 0.893 153 L HN 0.255 nan 8.230 nan 0.000 0.432 154 D N 0.154 120.568 120.400 0.023 0.000 2.092 154 D HA -0.205 4.435 4.640 -0.000 0.000 0.193 154 D C 1.911 178.225 176.300 0.024 0.000 0.994 154 D CA 1.397 55.410 54.000 0.021 0.000 0.828 154 D CB -0.237 40.570 40.800 0.011 0.000 0.963 154 D HN 0.464 nan 8.370 nan 0.000 0.450 155 E N -0.236 119.995 120.200 0.053 0.000 2.501 155 E HA 0.008 4.358 4.350 -0.000 0.000 0.203 155 E C 1.323 177.863 176.600 -0.100 0.000 1.072 155 E CA 0.697 57.104 56.400 0.011 0.000 0.885 155 E CB -0.151 29.598 29.700 0.082 0.000 0.813 155 E HN 0.364 nan 8.360 nan 0.000 0.556 156 G N 0.506 109.277 108.800 -0.048 0.000 2.195 156 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.224 156 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.224 156 G C -0.062 174.787 174.900 -0.085 0.000 0.990 156 G CA -0.210 44.840 45.100 -0.084 0.000 0.639 156 G HN 0.297 nan 8.290 nan 0.000 0.514 157 Y N 0.907 121.209 120.300 0.004 0.000 2.810 157 Y HA 0.145 4.695 4.550 -0.000 0.000 0.332 157 Y C 2.200 178.074 175.900 -0.043 0.000 1.243 157 Y CA 0.588 58.671 58.100 -0.028 0.000 1.537 157 Y CB 0.804 39.238 38.460 -0.043 0.000 1.265 157 Y HN 0.291 nan 8.280 nan 0.000 0.572 158 V N 1.200 121.167 119.914 0.089 0.000 2.591 158 V HA -0.023 4.097 4.120 -0.000 0.000 0.249 158 V C 0.820 176.912 176.094 -0.003 0.000 1.053 158 V CA 1.131 63.444 62.300 0.022 0.000 1.068 158 V CB -0.375 31.438 31.823 -0.018 0.000 0.689 158 V HN 0.774 nan 8.190 nan 0.000 0.462 159 R N -0.063 120.426 120.500 -0.019 0.000 2.808 159 R HA 0.546 4.886 4.340 -0.000 0.000 0.272 159 R C -2.034 174.208 176.300 -0.096 0.000 0.995 159 R CA -0.852 55.205 56.100 -0.071 0.000 0.917 159 R CB 2.374 32.599 30.300 -0.125 0.000 1.217 159 R HN 0.180 nan 8.270 nan 0.000 0.471 160 I N 2.827 123.333 120.570 -0.106 0.000 2.418 160 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 160 I C -0.262 175.789 176.117 -0.110 0.000 1.008 160 I CA -0.745 60.484 61.300 -0.118 0.000 1.104 160 I CB 1.462 39.409 38.000 -0.089 0.000 1.264 160 I HN 0.604 nan 8.210 nan 0.000 0.438 161 K N 7.556 127.888 120.400 -0.113 0.000 2.293 161 K HA 0.607 4.927 4.320 -0.000 0.000 0.267 161 K C -1.472 175.131 176.600 0.005 0.000 1.010 161 K CA -0.468 55.785 56.287 -0.057 0.000 0.875 161 K CB 1.096 33.567 32.500 -0.048 0.000 1.106 161 K HN 0.574 nan 8.250 nan 0.000 0.450 162 L N 3.727 124.970 121.223 0.034 0.000 2.307 162 L HA 0.358 4.698 4.340 -0.000 0.000 0.282 162 L C -0.107 176.842 176.870 0.132 0.000 1.051 162 L CA -1.033 53.859 54.840 0.086 0.000 0.804 162 L CB 1.401 43.494 42.059 0.056 0.000 1.197 162 L HN 0.538 nan 8.230 nan 0.000 0.431 163 K N 3.652 124.152 120.400 0.166 0.000 2.312 163 K HA 0.453 4.773 4.320 -0.000 0.000 0.287 163 K C -0.539 176.217 176.600 0.260 0.000 1.062 163 K CA -0.036 56.331 56.287 0.133 0.000 0.934 163 K CB 0.584 33.062 32.500 -0.037 0.000 1.027 163 K HN 0.446 nan 8.250 nan 0.000 0.478 164 I N -1.283 119.428 120.570 0.236 0.000 2.910 164 I HA 0.685 4.855 4.170 -0.000 0.000 0.310 164 I C -0.669 175.622 176.117 0.290 0.000 1.043 164 I CA -0.672 60.825 61.300 0.328 0.000 1.053 164 I CB 2.163 40.319 38.000 0.259 0.000 1.242 164 I HN 0.594 nan 8.210 nan 0.000 0.452 165 E N 3.110 123.504 120.200 0.324 0.000 2.396 165 E HA 0.415 4.765 4.350 -0.000 0.000 0.280 165 E C -2.968 173.685 176.600 0.087 0.000 1.065 165 E CA -1.883 54.563 56.400 0.077 0.000 0.831 165 E CB 2.486 32.192 29.700 0.010 0.000 1.272 165 E HN 0.356 nan 8.360 nan 0.000 0.443 166 P HA 0.117 nan 4.420 nan 0.000 0.263 166 P C 0.327 177.661 177.300 0.057 0.000 1.195 166 P CA 1.943 65.001 63.100 -0.069 0.000 0.762 166 P CB 0.499 32.066 31.700 -0.221 0.000 0.799 167 G N 2.186 111.068 108.800 0.136 0.000 2.213 167 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.236 167 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.236 167 G C -0.381 174.668 174.900 0.248 0.000 0.991 167 G CA -0.410 44.776 45.100 0.145 0.000 0.629 167 G HN 0.582 nan 8.290 nan 0.000 0.517 168 W N 2.272 123.593 121.300 0.034 0.000 2.387 168 W HA 0.491 5.151 4.660 -0.000 0.000 0.285 168 W C -0.786 175.765 176.519 0.052 0.000 1.011 168 W CA 0.095 57.453 57.345 0.020 0.000 1.576 168 W CB 0.425 29.881 29.460 -0.007 0.000 1.540 168 W HN 0.227 nan 8.180 nan 0.000 0.383 169 D N 0.617 120.978 120.400 -0.065 0.000 2.988 169 D HA -0.016 4.624 4.640 -0.000 0.000 0.159 169 D C 1.720 177.870 176.300 -0.250 0.000 1.304 169 D CA -0.108 53.839 54.000 -0.089 0.000 1.564 169 D CB 0.401 41.209 40.800 0.014 0.000 1.421 169 D HN -0.065 nan 8.370 nan 0.000 0.178 170 V N 2.205 122.008 119.914 -0.184 0.000 2.250 170 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 170 V C 2.440 178.303 176.094 -0.384 0.000 1.060 170 V CA 2.105 64.255 62.300 -0.251 0.000 1.030 170 V CB -0.628 31.142 31.823 -0.090 0.000 0.643 170 V HN 0.271 nan 8.190 nan 0.000 0.445 171 E N -0.298 119.720 120.200 -0.303 0.000 2.033 171 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 171 E C 0.369 176.698 176.600 -0.451 0.000 1.011 171 E CA 2.045 58.253 56.400 -0.320 0.000 0.815 171 E CB -2.173 27.383 29.700 -0.240 0.000 0.755 171 E HN 0.508 nan 8.360 nan 0.000 0.451 172 P HA -0.126 nan 4.420 nan 0.000 0.214 172 P C 2.000 179.016 177.300 -0.474 0.000 1.163 172 P CA 1.095 63.743 63.100 -0.754 0.000 0.889 172 P CB -0.180 30.780 31.700 -1.233 0.000 0.790 173 V N 0.371 119.985 119.914 -0.499 0.000 2.255 173 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 173 V C 2.849 178.569 176.094 -0.624 0.000 1.051 173 V CA 2.115 64.119 62.300 -0.495 0.000 1.018 173 V CB -1.095 30.410 31.823 -0.529 0.000 0.641 173 V HN 0.072 nan 8.190 nan 0.000 0.445 174 R N 0.167 120.176 120.500 -0.819 0.000 2.113 174 R HA -0.260 4.080 4.340 -0.000 0.000 0.244 174 R C 2.286 178.440 176.300 -0.243 0.000 1.142 174 R CA 2.084 57.807 56.100 -0.628 0.000 0.953 174 R CB -0.549 29.543 30.300 -0.346 0.000 0.860 174 R HN 0.502 nan 8.270 nan 0.000 0.438 175 A N 0.038 122.721 122.820 -0.228 0.000 1.908 175 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 175 A C 2.269 179.808 177.584 -0.074 0.000 1.181 175 A CA 1.733 53.690 52.037 -0.135 0.000 0.627 175 A CB -0.476 18.439 19.000 -0.143 0.000 0.818 175 A HN 0.271 nan 8.150 nan 0.000 0.445 176 V N -0.624 119.259 119.914 -0.052 0.000 2.719 176 V HA -0.118 4.002 4.120 -0.000 0.000 0.252 176 V C 2.634 178.799 176.094 0.119 0.000 1.065 176 V CA 1.954 64.320 62.300 0.110 0.000 1.086 176 V CB -0.671 31.220 31.823 0.113 0.000 0.700 176 V HN 0.481 nan 8.190 nan 0.000 0.467 177 R N 0.529 121.051 120.500 0.036 0.000 2.062 177 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 177 R C 2.238 178.584 176.300 0.077 0.000 1.128 177 R CA 1.707 57.867 56.100 0.101 0.000 0.960 177 R CB -0.637 29.782 30.300 0.200 0.000 0.855 177 R HN 0.617 nan 8.270 nan 0.000 0.432 178 E N -0.293 119.930 120.200 0.038 0.000 2.033 178 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 178 E C 1.977 178.534 176.600 -0.072 0.000 1.011 178 E CA 1.836 58.235 56.400 -0.001 0.000 0.815 178 E CB -0.077 29.610 29.700 -0.021 0.000 0.755 178 E HN 0.086 nan 8.360 nan 0.000 0.451 179 R N -0.441 119.964 120.500 -0.159 0.000 2.057 179 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 179 R C 2.049 178.035 176.300 -0.524 0.000 1.136 179 R CA 1.756 57.615 56.100 -0.402 0.000 0.952 179 R CB -0.522 29.398 30.300 -0.634 0.000 0.848 179 R HN 0.182 nan 8.270 nan 0.000 0.430 180 F N -0.255 119.702 119.950 0.011 0.000 2.664 180 F HA 0.379 4.905 4.527 -0.000 0.000 0.296 180 F C 1.116 176.928 175.800 0.020 0.000 1.125 180 F CA 0.644 58.654 58.000 0.017 0.000 1.444 180 F CB 0.624 39.636 39.000 0.020 0.000 1.114 180 F HN 0.393 nan 8.300 nan 0.000 0.576 181 G N 0.414 109.296 108.800 0.138 0.000 2.497 181 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 181 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 181 G C -0.693 174.267 174.900 0.100 0.000 1.288 181 G CA -0.524 44.636 45.100 0.100 0.000 0.899 181 G HN 0.013 nan 8.290 nan 0.000 0.608 182 D N -0.471 119.973 120.400 0.072 0.000 2.350 182 D HA 0.153 4.793 4.640 -0.000 0.000 0.213 182 D C 1.464 177.795 176.300 0.052 0.000 1.031 182 D CA 0.426 54.465 54.000 0.064 0.000 0.861 182 D CB 0.303 41.130 40.800 0.045 0.000 0.926 182 D HN 0.384 nan 8.370 nan 0.000 0.520 183 D N 0.109 120.540 120.400 0.053 0.000 2.340 183 D HA 0.014 4.654 4.640 -0.000 0.000 0.220 183 D C 0.162 176.484 176.300 0.037 0.000 1.039 183 D CA 0.155 54.179 54.000 0.040 0.000 0.866 183 D CB 1.016 41.836 40.800 0.034 0.000 0.913 183 D HN 0.027 nan 8.370 nan 0.000 0.523 184 V N 1.866 121.809 119.914 0.048 0.000 2.583 184 V HA 0.002 4.122 4.120 -0.000 0.000 0.287 184 V C 0.401 176.504 176.094 0.014 0.000 1.051 184 V CA -0.603 61.719 62.300 0.036 0.000 1.010 184 V CB 1.479 33.338 31.823 0.059 0.000 0.988 184 V HN -0.030 nan 8.190 nan 0.000 0.478 185 L N 6.315 127.533 121.223 -0.010 0.000 2.407 185 L HA 0.298 4.638 4.340 -0.000 0.000 0.282 185 L C -0.274 176.565 176.870 -0.050 0.000 1.110 185 L CA 0.624 55.443 54.840 -0.036 0.000 0.863 185 L CB 0.204 42.228 42.059 -0.058 0.000 1.207 185 L HN 0.482 nan 8.230 nan 0.000 0.454 186 L N 4.593 125.793 121.223 -0.039 0.000 2.386 186 L HA 0.627 4.967 4.340 -0.000 0.000 0.271 186 L C -0.642 176.199 176.870 -0.049 0.000 0.993 186 L CA -0.124 54.691 54.840 -0.041 0.000 0.819 186 L CB 1.895 43.951 42.059 -0.006 0.000 1.294 186 L HN 0.749 nan 8.230 nan 0.000 0.414 187 Q N 3.677 123.438 119.800 -0.064 0.000 2.553 187 Q HA 0.856 5.196 4.340 -0.000 0.000 0.293 187 Q C -1.358 174.633 176.000 -0.015 0.000 1.038 187 Q CA -1.184 54.589 55.803 -0.051 0.000 0.777 187 Q CB 2.436 31.109 28.738 -0.109 0.000 1.487 187 Q HN 0.470 nan 8.270 nan 0.000 0.426 188 V N -2.624 117.302 119.914 0.020 0.000 3.001 188 V HA 0.780 4.900 4.120 -0.000 0.000 0.314 188 V C -1.374 174.786 176.094 0.110 0.000 1.099 188 V CA -0.745 61.587 62.300 0.053 0.000 0.989 188 V CB 2.079 33.918 31.823 0.027 0.000 1.040 188 V HN 0.854 nan 8.190 nan 0.000 0.434 189 D N 1.209 121.695 120.400 0.144 0.000 2.788 189 D HA 0.725 5.365 4.640 -0.000 0.000 0.247 189 D C 0.204 176.620 176.300 0.193 0.000 1.236 189 D CA 0.141 54.253 54.000 0.188 0.000 0.898 189 D CB 2.160 43.094 40.800 0.224 0.000 1.401 189 D HN 0.884 nan 8.370 nan 0.000 0.549 190 A N 3.468 126.420 122.820 0.221 0.000 2.303 190 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 190 A C 0.778 178.489 177.584 0.211 0.000 1.205 190 A CA -0.019 52.181 52.037 0.273 0.000 0.875 190 A CB -0.650 18.629 19.000 0.465 0.000 0.910 190 A HN 0.782 nan 8.150 nan 0.000 0.501 191 N N 0.299 119.126 118.700 0.212 0.000 2.707 191 N HA -0.230 4.510 4.740 -0.000 0.000 0.253 191 N C 0.438 176.051 175.510 0.171 0.000 0.998 191 N CA 1.323 54.507 53.050 0.224 0.000 0.751 191 N CB -1.441 37.234 38.487 0.314 0.000 0.920 191 N HN 1.064 nan 8.380 nan 0.000 0.539 192 T N -6.611 108.035 114.554 0.153 0.000 5.658 192 T HA -0.320 4.030 4.350 -0.000 0.000 0.271 192 T C 1.057 175.811 174.700 0.090 0.000 2.170 192 T CA 1.486 63.657 62.100 0.117 0.000 3.657 192 T CB -1.785 67.115 68.868 0.053 0.000 0.929 192 T HN 0.769 nan 8.240 nan 0.000 1.134 193 A N -0.241 122.634 122.820 0.092 0.000 2.019 193 A HA 0.387 4.707 4.320 -0.000 0.000 0.219 193 A C 0.860 178.299 177.584 -0.243 0.000 1.164 193 A CA 1.182 53.153 52.037 -0.111 0.000 0.644 193 A CB -0.418 18.431 19.000 -0.252 0.000 0.805 193 A HN 0.863 nan 8.150 nan 0.000 0.449 194 Y N -0.549 119.761 120.300 0.017 0.000 2.565 194 Y HA 0.533 5.082 4.550 -0.000 0.000 0.325 194 Y C 0.917 176.801 175.900 -0.027 0.000 1.221 194 Y CA -0.422 57.676 58.100 -0.003 0.000 1.316 194 Y CB 0.707 39.166 38.460 -0.001 0.000 1.404 194 Y HN 0.079 nan 8.280 nan 0.000 0.527 195 T N -1.884 112.766 114.554 0.159 0.000 2.906 195 T HA 0.281 4.631 4.350 -0.000 0.000 0.295 195 T C 0.336 175.057 174.700 0.035 0.000 1.061 195 T CA -0.807 61.326 62.100 0.054 0.000 1.000 195 T CB 1.379 70.263 68.868 0.028 0.000 1.103 195 T HN 0.479 nan 8.240 nan 0.000 0.486 196 L N 2.494 123.709 121.223 -0.013 0.000 2.051 196 L HA 0.083 4.423 4.340 -0.000 0.000 0.214 196 L C 2.497 179.365 176.870 -0.003 0.000 1.076 196 L CA 2.681 57.506 54.840 -0.026 0.000 0.758 196 L CB -1.445 40.595 42.059 -0.033 0.000 0.890 196 L HN 1.041 nan 8.230 nan 0.000 0.433 197 G N -1.535 107.270 108.800 0.009 0.000 2.470 197 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 197 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 197 G C 1.097 176.017 174.900 0.033 0.000 1.121 197 G CA 0.794 45.904 45.100 0.017 0.000 0.766 197 G HN 0.466 nan 8.290 nan 0.000 0.553 198 D N 0.537 120.972 120.400 0.059 0.000 2.340 198 D HA 0.200 4.840 4.640 -0.000 0.000 0.220 198 D C 2.530 178.855 176.300 0.041 0.000 1.039 198 D CA 0.590 54.648 54.000 0.097 0.000 0.866 198 D CB 0.073 41.020 40.800 0.245 0.000 0.913 198 D HN 0.267 nan 8.370 nan 0.000 0.523 199 A N 2.252 125.077 122.820 0.008 0.000 1.940 199 A HA -0.201 4.119 4.320 -0.000 0.000 0.221 199 A C -0.229 177.343 177.584 -0.020 0.000 1.190 199 A CA 1.551 53.575 52.037 -0.021 0.000 0.647 199 A CB -1.483 17.506 19.000 -0.018 0.000 0.821 199 A HN 0.213 nan 8.150 nan 0.000 0.457 200 P HA -0.144 nan 4.420 nan 0.000 0.217 200 P C 1.571 178.873 177.300 0.003 0.000 1.150 200 P CA 1.580 64.680 63.100 0.001 0.000 0.832 200 P CB -0.039 31.667 31.700 0.009 0.000 0.787 201 Q N 0.008 119.814 119.800 0.010 0.000 2.079 201 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 201 Q C 2.031 178.009 176.000 -0.037 0.000 0.974 201 Q CA 1.545 57.357 55.803 0.014 0.000 0.840 201 Q CB -1.233 27.546 28.738 0.068 0.000 0.898 201 Q HN 0.195 nan 8.270 nan 0.000 0.430 202 L N -0.462 120.705 121.223 -0.094 0.000 2.313 202 L HA 0.055 4.395 4.340 -0.000 0.000 0.214 202 L C 2.162 178.993 176.870 -0.066 0.000 1.119 202 L CA 0.686 55.437 54.840 -0.149 0.000 0.809 202 L CB -0.612 41.308 42.059 -0.231 0.000 0.933 202 L HN 0.187 nan 8.230 nan 0.000 0.449 203 A N 0.093 122.891 122.820 -0.037 0.000 2.121 203 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 203 A C 2.329 179.915 177.584 0.004 0.000 1.154 203 A CA 0.945 52.972 52.037 -0.016 0.000 0.679 203 A CB -0.445 18.547 19.000 -0.013 0.000 0.795 203 A HN 0.295 nan 8.150 nan 0.000 0.458 204 R N -0.730 119.780 120.500 0.017 0.000 2.285 204 R HA 0.056 4.396 4.340 -0.000 0.000 0.213 204 R C 1.045 177.437 176.300 0.154 0.000 1.068 204 R CA 0.725 56.861 56.100 0.061 0.000 1.004 204 R CB -0.246 30.089 30.300 0.058 0.000 0.873 204 R HN 0.537 nan 8.270 nan 0.000 0.467 205 L N -0.359 120.943 121.223 0.131 0.000 2.567 205 L HA 0.026 4.366 4.340 -0.000 0.000 0.225 205 L C 1.055 178.046 176.870 0.202 0.000 1.119 205 L CA -0.085 54.921 54.840 0.276 0.000 0.871 205 L CB -0.017 42.114 42.059 0.119 0.000 1.036 205 L HN -0.007 nan 8.230 nan 0.000 0.459 206 D N 1.291 121.723 120.400 0.054 0.000 2.170 206 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 206 D C -0.480 175.769 176.300 -0.084 0.000 1.004 206 D CA 1.593 55.585 54.000 -0.014 0.000 0.860 206 D CB -1.082 39.698 40.800 -0.033 0.000 0.931 206 D HN 0.282 nan 8.370 nan 0.000 0.448 207 P HA -0.056 nan 4.420 nan 0.000 0.223 207 P C 1.044 177.987 177.300 -0.595 0.000 1.151 207 P CA 0.714 63.526 63.100 -0.478 0.000 0.787 207 P CB -0.231 31.027 31.700 -0.738 0.000 0.788 208 F N -0.516 119.417 119.950 -0.028 0.000 2.811 208 F HA 0.327 4.854 4.527 -0.000 0.000 0.301 208 F C 1.702 177.489 175.800 -0.021 0.000 1.151 208 F CA 0.536 58.521 58.000 -0.026 0.000 1.412 208 F CB -1.074 37.907 39.000 -0.032 0.000 1.113 208 F HN -0.042 nan 8.300 nan 0.000 0.579 209 G N 1.673 110.513 108.800 0.066 0.000 2.273 209 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.280 209 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.280 209 G C 0.156 175.088 174.900 0.053 0.000 1.047 209 G CA -0.282 44.843 45.100 0.041 0.000 0.869 209 G HN 0.298 nan 8.290 nan 0.000 0.502 210 L N -0.590 120.673 121.223 0.067 0.000 2.456 210 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 210 L C 2.236 179.113 176.870 0.011 0.000 1.189 210 L CA -0.579 54.283 54.840 0.038 0.000 0.846 210 L CB 0.616 42.700 42.059 0.041 0.000 1.111 210 L HN 0.132 nan 8.230 nan 0.000 0.475 211 L N 3.336 124.550 121.223 -0.015 0.000 2.056 211 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 211 L C 0.199 177.062 176.870 -0.011 0.000 1.078 211 L CA 1.230 56.052 54.840 -0.030 0.000 0.749 211 L CB -0.142 41.866 42.059 -0.085 0.000 0.901 211 L HN 0.567 nan 8.230 nan 0.000 0.433 212 L N -3.839 117.381 121.223 -0.005 0.000 2.940 212 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 212 L C -1.095 175.802 176.870 0.045 0.000 1.030 212 L CA -0.776 54.084 54.840 0.033 0.000 0.928 212 L CB 1.907 44.005 42.059 0.066 0.000 1.506 212 L HN -0.148 nan 8.230 nan 0.000 0.405 213 I N 0.510 121.123 120.570 0.071 0.000 2.439 213 I HA 0.526 4.696 4.170 -0.000 0.000 0.285 213 I C -0.841 175.353 176.117 0.129 0.000 1.021 213 I CA -0.021 61.326 61.300 0.077 0.000 1.091 213 I CB 1.557 39.577 38.000 0.033 0.000 1.242 213 I HN 0.868 nan 8.210 nan 0.000 0.439 214 E N 6.704 127.003 120.200 0.167 0.000 2.227 214 E HA 0.188 4.538 4.350 -0.000 0.000 0.282 214 E C -0.562 176.154 176.600 0.193 0.000 1.015 214 E CA -0.380 56.144 56.400 0.206 0.000 0.823 214 E CB 0.757 30.634 29.700 0.296 0.000 1.081 214 E HN 0.603 nan 8.360 nan 0.000 0.396 215 Q N 2.519 122.425 119.800 0.177 0.000 2.426 215 Q HA -0.169 4.171 4.340 -0.000 0.000 0.359 215 Q C -1.898 174.275 176.000 0.287 0.000 1.381 215 Q CA 0.405 56.342 55.803 0.223 0.000 1.060 215 Q CB -0.816 28.011 28.738 0.148 0.000 1.253 215 Q HN 0.592 nan 8.270 nan 0.000 0.363 216 P HA -0.146 nan 4.420 nan 0.000 0.215 216 P C 0.809 178.226 177.300 0.196 0.000 1.153 216 P CA 1.438 64.658 63.100 0.199 0.000 0.853 216 P CB 0.160 31.885 31.700 0.041 0.000 0.788 217 L N -1.613 119.667 121.223 0.094 0.000 2.298 217 L HA 0.436 4.776 4.340 -0.000 0.000 0.268 217 L C 0.711 177.674 176.870 0.155 0.000 1.010 217 L CA -1.641 53.205 54.840 0.009 0.000 0.812 217 L CB 0.202 42.109 42.059 -0.253 0.000 1.331 217 L HN -0.123 nan 8.230 nan 0.000 0.450 218 E N -0.344 119.904 120.200 0.080 0.000 2.485 218 E HA -0.141 4.209 4.350 -0.000 0.000 0.266 218 E C 0.488 177.150 176.600 0.104 0.000 1.090 218 E CA -0.001 56.438 56.400 0.066 0.000 0.987 218 E CB 0.810 30.522 29.700 0.019 0.000 0.974 218 E HN 0.731 nan 8.360 nan 0.000 0.455 219 E N 1.410 121.619 120.200 0.016 0.000 2.070 219 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 219 E C 1.333 177.934 176.600 0.001 0.000 1.004 219 E CA 1.978 58.364 56.400 -0.024 0.000 0.805 219 E CB 0.060 29.710 29.700 -0.084 0.000 0.744 219 E HN 0.638 nan 8.360 nan 0.000 0.451 220 E N 0.449 120.653 120.200 0.007 0.000 2.418 220 E HA -0.074 4.275 4.350 -0.000 0.000 0.197 220 E C 0.046 176.670 176.600 0.040 0.000 1.026 220 E CA 0.544 56.950 56.400 0.009 0.000 0.862 220 E CB 0.124 29.822 29.700 -0.004 0.000 0.799 220 E HN 0.104 nan 8.360 nan 0.000 0.518 221 D N -0.003 120.451 120.400 0.089 0.000 2.741 221 D HA 0.050 4.690 4.640 -0.000 0.000 0.233 221 D C 0.702 177.153 176.300 0.250 0.000 1.160 221 D CA -0.056 54.014 54.000 0.116 0.000 1.003 221 D CB 0.270 41.099 40.800 0.049 0.000 1.064 221 D HN -0.149 nan 8.370 nan 0.000 0.503 222 V N 1.487 121.492 119.914 0.151 0.000 2.237 222 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 222 V C 2.582 178.759 176.094 0.139 0.000 1.046 222 V CA 1.281 63.663 62.300 0.137 0.000 1.007 222 V CB -0.512 31.330 31.823 0.032 0.000 0.638 222 V HN 0.515 nan 8.190 nan 0.000 0.445 223 L N 0.562 121.829 121.223 0.072 0.000 2.081 223 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 223 L C 2.657 179.551 176.870 0.041 0.000 1.080 223 L CA 1.817 56.684 54.840 0.045 0.000 0.754 223 L CB -1.359 40.713 42.059 0.023 0.000 0.893 223 L HN 0.518 nan 8.230 nan 0.000 0.433 224 G N -0.991 107.828 108.800 0.032 0.000 2.446 224 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 224 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 224 G C 1.181 176.044 174.900 -0.061 0.000 1.168 224 G CA 0.892 45.971 45.100 -0.036 0.000 0.771 224 G HN 0.412 nan 8.290 nan 0.000 0.551 225 H N 0.590 119.662 119.070 0.003 0.000 2.387 225 H HA 0.113 4.669 4.556 -0.000 0.000 0.299 225 H C 2.836 178.164 175.328 0.000 0.000 1.099 225 H CA 1.416 57.467 56.048 0.004 0.000 1.315 225 H CB 0.007 29.770 29.762 0.002 0.000 1.380 225 H HN 0.419 nan 8.280 nan 0.000 0.513 226 A N 0.620 123.513 122.820 0.122 0.000 1.898 226 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 226 A C 2.222 179.826 177.584 0.035 0.000 1.181 226 A CA 1.466 53.541 52.037 0.063 0.000 0.620 226 A CB -0.119 18.907 19.000 0.042 0.000 0.819 226 A HN 0.268 nan 8.150 nan 0.000 0.442 227 E N -0.316 119.897 120.200 0.021 0.000 2.047 227 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 227 E C 1.987 178.585 176.600 -0.002 0.000 0.987 227 E CA 1.114 57.517 56.400 0.004 0.000 0.799 227 E CB -0.475 29.221 29.700 -0.006 0.000 0.752 227 E HN 0.449 nan 8.360 nan 0.000 0.449 228 L N 1.014 122.229 121.223 -0.013 0.000 2.043 228 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 228 L C 2.212 179.083 176.870 0.001 0.000 1.075 228 L CA 2.297 57.123 54.840 -0.023 0.000 0.752 228 L CB -0.945 41.077 42.059 -0.062 0.000 0.891 228 L HN 0.076 nan 8.230 nan 0.000 0.432 229 A N -0.545 122.290 122.820 0.025 0.000 1.948 229 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 229 A C 2.440 180.032 177.584 0.013 0.000 1.177 229 A CA 2.061 54.115 52.037 0.027 0.000 0.636 229 A CB -0.611 18.411 19.000 0.037 0.000 0.815 229 A HN 0.529 nan 8.150 nan 0.000 0.449 230 R N -0.925 119.580 120.500 0.009 0.000 2.105 230 R HA -0.076 4.264 4.340 -0.000 0.000 0.239 230 R C 2.244 178.543 176.300 -0.001 0.000 1.135 230 R CA 1.623 57.725 56.100 0.004 0.000 0.967 230 R CB -0.206 30.096 30.300 0.003 0.000 0.861 230 R HN 0.497 nan 8.270 nan 0.000 0.442 231 R N 0.239 120.736 120.500 -0.004 0.000 2.276 231 R HA 0.150 4.490 4.340 -0.000 0.000 0.196 231 R C 0.787 177.081 176.300 -0.011 0.000 0.961 231 R CA 0.459 56.554 56.100 -0.009 0.000 1.024 231 R CB 0.122 30.415 30.300 -0.011 0.000 0.940 231 R HN 0.283 nan 8.270 nan 0.000 0.480 232 I N -3.909 116.656 120.570 -0.009 0.000 2.934 232 I HA 0.247 4.417 4.170 -0.000 0.000 0.306 232 I C 0.382 176.496 176.117 -0.005 0.000 1.110 232 I CA -0.996 60.298 61.300 -0.010 0.000 1.019 232 I CB 2.296 40.285 38.000 -0.017 0.000 1.227 232 I HN -0.242 nan 8.210 nan 0.000 0.434 233 Q N 0.874 120.671 119.800 -0.006 0.000 2.331 233 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 233 Q C 0.039 176.041 176.000 0.003 0.000 0.944 233 Q CA 0.743 56.544 55.803 -0.005 0.000 0.892 233 Q CB 0.333 29.063 28.738 -0.013 0.000 0.983 233 Q HN 0.769 nan 8.270 nan 0.000 0.482 234 T N 3.234 117.792 114.554 0.007 0.000 2.851 234 T HA 0.187 4.537 4.350 -0.000 0.000 0.298 234 T C -2.443 172.271 174.700 0.022 0.000 0.977 234 T CA -1.179 60.931 62.100 0.015 0.000 1.126 234 T CB 0.965 69.843 68.868 0.018 0.000 0.916 234 T HN -0.008 nan 8.240 nan 0.000 0.529 235 P HA 0.200 nan 4.420 nan 0.000 0.271 235 P C -0.357 176.976 177.300 0.054 0.000 1.216 235 P CA -0.634 62.487 63.100 0.036 0.000 0.771 235 P CB 0.307 32.027 31.700 0.033 0.000 0.864 236 I N 3.045 123.652 120.570 0.061 0.000 2.529 236 I HA 0.092 4.262 4.170 -0.000 0.000 0.284 236 I C 0.654 176.819 176.117 0.080 0.000 1.082 236 I CA -0.863 60.488 61.300 0.086 0.000 1.406 236 I CB -0.290 37.776 38.000 0.110 0.000 1.405 236 I HN 0.391 nan 8.210 nan 0.000 0.548 237 C N 7.755 127.116 119.300 0.101 0.000 2.441 237 C HA 0.674 5.134 4.460 -0.000 0.000 0.318 237 C C -0.430 174.589 174.990 0.048 0.000 1.222 237 C CA -0.649 58.438 59.018 0.115 0.000 1.474 237 C CB 0.300 28.190 27.740 0.249 0.000 2.125 237 C HN 0.693 nan 8.230 nan 0.000 0.479 238 L N 5.010 126.213 121.223 -0.034 0.000 2.334 238 L HA 0.518 4.858 4.340 -0.000 0.000 0.273 238 L C 0.161 176.974 176.870 -0.094 0.000 1.013 238 L CA -0.075 54.694 54.840 -0.118 0.000 0.816 238 L CB 1.922 43.851 42.059 -0.217 0.000 1.278 238 L HN 0.818 nan 8.230 nan 0.000 0.431 239 D N 0.272 120.627 120.400 -0.074 0.000 3.000 239 D HA -0.026 4.614 4.640 -0.000 0.000 0.190 239 D C 1.328 177.607 176.300 -0.034 0.000 1.503 239 D CA 0.258 54.232 54.000 -0.044 0.000 1.496 239 D CB 0.229 41.057 40.800 0.047 0.000 1.163 239 D HN 0.474 nan 8.370 nan 0.000 0.231 240 E N 0.519 120.683 120.200 -0.060 0.000 2.108 240 E HA -0.144 4.205 4.350 -0.000 0.000 0.203 240 E C 2.109 178.635 176.600 -0.124 0.000 1.022 240 E CA 2.098 58.388 56.400 -0.183 0.000 0.823 240 E CB -0.225 29.277 29.700 -0.330 0.000 0.744 240 E HN 0.148 nan 8.360 nan 0.000 0.456 241 S N -0.069 115.558 115.700 -0.122 0.000 2.419 241 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 241 S C 0.753 175.294 174.600 -0.099 0.000 1.016 241 S CA 0.470 58.600 58.200 -0.117 0.000 0.974 241 S CB 0.002 63.099 63.200 -0.171 0.000 0.786 241 S HN 0.159 nan 8.310 nan 0.000 0.492 242 I N 3.387 123.900 120.570 -0.095 0.000 2.268 242 I HA 0.071 4.241 4.170 -0.000 0.000 0.298 242 I C 1.219 177.301 176.117 -0.057 0.000 1.185 242 I CA -0.007 61.244 61.300 -0.083 0.000 1.548 242 I CB -0.503 37.439 38.000 -0.097 0.000 1.492 242 I HN 0.088 nan 8.210 nan 0.000 0.711 243 V N 2.227 122.111 119.914 -0.049 0.000 3.541 243 V HA 0.203 4.323 4.120 -0.000 0.000 0.267 243 V C 0.777 176.853 176.094 -0.030 0.000 1.213 243 V CA 0.579 62.860 62.300 -0.033 0.000 1.149 243 V CB -0.747 31.057 31.823 -0.031 0.000 0.822 243 V HN 0.704 nan 8.190 nan 0.000 0.462 244 S N -2.112 113.566 115.700 -0.036 0.000 2.655 244 S HA 0.781 5.251 4.470 -0.000 0.000 0.266 244 S C 0.576 175.156 174.600 -0.034 0.000 1.149 244 S CA -0.076 58.107 58.200 -0.028 0.000 0.818 244 S CB 1.023 64.211 63.200 -0.021 0.000 1.130 244 S HN 0.835 nan 8.310 nan 0.000 0.476 245 A N 1.154 123.961 122.820 -0.022 0.000 1.873 245 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 245 A C 2.115 179.681 177.584 -0.030 0.000 1.186 245 A CA 1.681 53.706 52.037 -0.020 0.000 0.616 245 A CB -0.969 18.030 19.000 -0.001 0.000 0.823 245 A HN 0.902 nan 8.150 nan 0.000 0.442 246 R N -0.121 120.365 120.500 -0.024 0.000 2.105 246 R HA -0.110 4.230 4.340 -0.000 0.000 0.239 246 R C 2.161 178.434 176.300 -0.045 0.000 1.135 246 R CA 1.629 57.712 56.100 -0.028 0.000 0.967 246 R CB -0.451 29.838 30.300 -0.019 0.000 0.861 246 R HN 0.397 nan 8.270 nan 0.000 0.442 247 A N 0.867 123.659 122.820 -0.047 0.000 1.902 247 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 247 A C 2.436 179.973 177.584 -0.079 0.000 1.181 247 A CA 1.624 53.626 52.037 -0.058 0.000 0.623 247 A CB -0.913 18.054 19.000 -0.055 0.000 0.818 247 A HN 0.567 nan 8.150 nan 0.000 0.443 248 A N 0.022 122.791 122.820 -0.084 0.000 1.883 248 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 248 A C 2.551 180.043 177.584 -0.153 0.000 1.186 248 A CA 2.514 54.485 52.037 -0.109 0.000 0.624 248 A CB -1.214 17.731 19.000 -0.093 0.000 0.822 248 A HN 1.137 nan 8.150 nan 0.000 0.444 249 A N 0.107 122.836 122.820 -0.151 0.000 1.859 249 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 249 A C 1.808 179.275 177.584 -0.196 0.000 1.198 249 A CA 2.125 54.028 52.037 -0.223 0.000 0.629 249 A CB -0.848 18.085 19.000 -0.111 0.000 0.830 249 A HN 0.486 nan 8.150 nan 0.000 0.446 250 D N -0.014 120.317 120.400 -0.115 0.000 2.104 250 D HA -0.104 4.536 4.640 -0.000 0.000 0.194 250 D C 2.249 178.495 176.300 -0.089 0.000 0.994 250 D CA 1.745 55.695 54.000 -0.084 0.000 0.830 250 D CB -0.606 40.159 40.800 -0.057 0.000 0.959 250 D HN 0.441 nan 8.370 nan 0.000 0.452 251 A N 0.795 123.556 122.820 -0.099 0.000 1.908 251 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 251 A C 2.423 179.949 177.584 -0.097 0.000 1.181 251 A CA 1.037 53.020 52.037 -0.091 0.000 0.627 251 A CB -0.759 18.178 19.000 -0.105 0.000 0.818 251 A HN 0.204 nan 8.150 nan 0.000 0.445 252 I N -0.485 119.996 120.570 -0.148 0.000 2.099 252 I HA -0.322 3.848 4.170 -0.000 0.000 0.239 252 I C 2.507 178.553 176.117 -0.118 0.000 1.066 252 I CA 1.900 63.100 61.300 -0.166 0.000 1.324 252 I CB -0.445 37.355 38.000 -0.333 0.000 1.037 252 I HN 0.329 nan 8.210 nan 0.000 0.401 253 K N 0.604 120.922 120.400 -0.136 0.000 2.113 253 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 253 K C 1.881 178.461 176.600 -0.033 0.000 1.047 253 K CA 1.345 57.594 56.287 -0.063 0.000 0.928 253 K CB -0.209 32.258 32.500 -0.055 0.000 0.716 253 K HN 0.361 nan 8.250 nan 0.000 0.446 254 L N -0.314 120.887 121.223 -0.037 0.000 2.591 254 L HA 0.075 4.415 4.340 -0.000 0.000 0.228 254 L C 0.973 177.838 176.870 -0.007 0.000 1.133 254 L CA 0.256 55.086 54.840 -0.017 0.000 0.880 254 L CB 0.007 42.057 42.059 -0.014 0.000 1.033 254 L HN 0.423 nan 8.230 nan 0.000 0.450 255 G N 0.093 108.885 108.800 -0.014 0.000 2.176 255 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 255 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 255 G C 0.829 175.734 174.900 0.009 0.000 1.024 255 G CA 0.380 45.479 45.100 -0.002 0.000 0.755 255 G HN 0.456 nan 8.290 nan 0.000 0.507 256 A N -1.471 121.350 122.820 0.000 0.000 2.218 256 A HA 0.677 4.997 4.320 -0.000 0.000 0.209 256 A C 1.028 178.616 177.584 0.008 0.000 1.168 256 A CA 1.408 53.461 52.037 0.026 0.000 0.804 256 A CB 0.565 19.579 19.000 0.022 0.000 0.834 256 A HN 1.727 nan 8.150 nan 0.000 0.482 257 V N -1.474 118.430 119.914 -0.018 0.000 3.048 257 V HA 0.337 4.457 4.120 -0.000 0.000 0.303 257 V C -0.442 175.646 176.094 -0.011 0.000 1.214 257 V CA -0.432 61.855 62.300 -0.022 0.000 0.984 257 V CB 2.070 33.853 31.823 -0.067 0.000 1.054 257 V HN 0.410 nan 8.190 nan 0.000 0.430 258 Q N 3.360 123.166 119.800 0.011 0.000 2.353 258 Q HA 0.520 4.860 4.340 -0.000 0.000 0.240 258 Q C -0.527 175.489 176.000 0.026 0.000 0.868 258 Q CA 0.420 56.234 55.803 0.018 0.000 0.944 258 Q CB 1.463 30.217 28.738 0.027 0.000 1.104 258 Q HN 0.692 nan 8.270 nan 0.000 0.531 259 I N 0.345 120.941 120.570 0.045 0.000 2.692 259 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 259 I C -1.148 175.010 176.117 0.068 0.000 1.200 259 I CA -0.904 60.446 61.300 0.084 0.000 1.036 259 I CB 2.709 40.810 38.000 0.167 0.000 1.258 259 I HN -0.290 nan 8.210 nan 0.000 0.421 260 V N 4.704 124.623 119.914 0.009 0.000 2.628 260 V HA 0.421 4.541 4.120 -0.000 0.000 0.306 260 V C -0.292 175.622 176.094 -0.300 0.000 1.045 260 V CA -0.743 61.493 62.300 -0.105 0.000 0.905 260 V CB 2.107 33.851 31.823 -0.132 0.000 0.997 260 V HN 0.732 nan 8.190 nan 0.000 0.436 261 N N 4.751 123.190 118.700 -0.434 0.000 2.422 261 N HA 0.400 5.140 4.740 -0.000 0.000 0.266 261 N C -1.003 174.216 175.510 -0.484 0.000 1.007 261 N CA -0.294 52.234 53.050 -0.870 0.000 0.941 261 N CB 1.128 39.087 38.487 -0.880 0.000 1.115 261 N HN 0.609 nan 8.380 nan 0.000 0.492 262 I N 2.802 123.127 120.570 -0.409 0.000 2.321 262 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 262 I C 0.336 176.376 176.117 -0.128 0.000 0.998 262 I CA -0.560 60.641 61.300 -0.166 0.000 1.227 262 I CB 1.174 39.167 38.000 -0.011 0.000 1.368 262 I HN 0.260 nan 8.210 nan 0.000 0.466 263 K N 8.070 128.398 120.400 -0.120 0.000 2.527 263 K HA 0.305 4.625 4.320 -0.000 0.000 0.240 263 K C -1.854 174.655 176.600 -0.152 0.000 0.989 263 K CA -1.602 54.615 56.287 -0.117 0.000 0.985 263 K CB 1.747 34.196 32.500 -0.085 0.000 1.221 263 K HN 0.230 nan 8.250 nan 0.000 0.458 264 P HA -0.231 nan 4.420 nan 0.000 0.217 264 P C 1.192 178.308 177.300 -0.306 0.000 1.151 264 P CA 1.334 64.165 63.100 -0.447 0.000 0.849 264 P CB 0.308 31.282 31.700 -1.211 0.000 0.787 265 G N -0.163 108.514 108.800 -0.205 0.000 2.394 265 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.214 265 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.214 265 G C 1.786 176.659 174.900 -0.044 0.000 1.176 265 G CA 0.547 45.592 45.100 -0.091 0.000 0.786 265 G HN 0.223 nan 8.290 nan 0.000 0.533 266 R N 0.562 121.040 120.500 -0.036 0.000 2.117 266 R HA -0.099 4.241 4.340 -0.000 0.000 0.243 266 R C 2.454 178.755 176.300 0.002 0.000 1.143 266 R CA 1.969 58.083 56.100 0.023 0.000 0.968 266 R CB -0.310 30.033 30.300 0.072 0.000 0.863 266 R HN 0.424 nan 8.270 nan 0.000 0.444 267 V N -3.187 116.707 119.914 -0.034 0.000 3.649 267 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 267 V C 0.919 176.998 176.094 -0.025 0.000 1.281 267 V CA 0.619 62.899 62.300 -0.034 0.000 1.143 267 V CB 0.169 31.962 31.823 -0.050 0.000 0.892 267 V HN 0.443 nan 8.190 nan 0.000 0.441 268 G N -1.199 107.588 108.800 -0.022 0.000 2.140 268 G HA2 0.341 4.301 3.960 -0.000 0.000 0.211 268 G HA3 0.341 4.301 3.960 -0.000 0.000 0.211 268 G C 0.721 175.623 174.900 0.002 0.000 1.013 268 G CA -0.122 44.980 45.100 0.004 0.000 0.705 268 G HN 2.368 nan 8.290 nan 0.000 0.508 269 G N -2.637 106.134 108.800 -0.049 0.000 2.375 269 G HA2 0.301 4.261 3.960 -0.000 0.000 0.663 269 G HA3 0.301 4.261 3.960 -0.000 0.000 0.663 269 G C 0.118 174.954 174.900 -0.107 0.000 1.391 269 G CA 0.199 45.285 45.100 -0.023 0.000 0.949 269 G HN 0.673 nan 8.290 nan 0.000 0.646 270 Y N 0.346 120.661 120.300 0.025 0.000 2.274 270 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 270 Y C 2.985 178.862 175.900 -0.037 0.000 1.145 270 Y CA 2.057 60.153 58.100 -0.008 0.000 1.203 270 Y CB -0.175 38.255 38.460 -0.050 0.000 0.984 270 Y HN 0.456 nan 8.280 nan 0.000 0.533 271 L N -0.707 120.558 121.223 0.069 0.000 2.027 271 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 271 L C 2.446 179.332 176.870 0.026 0.000 1.074 271 L CA 1.615 56.471 54.840 0.027 0.000 0.745 271 L CB -0.614 41.453 42.059 0.014 0.000 0.898 271 L HN 0.120 nan 8.230 nan 0.000 0.433 272 E N 0.939 121.149 120.200 0.016 0.000 2.038 272 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 272 E C 2.159 178.769 176.600 0.017 0.000 1.000 272 E CA 1.734 58.141 56.400 0.011 0.000 0.803 272 E CB -0.245 29.454 29.700 -0.003 0.000 0.750 272 E HN 0.340 nan 8.360 nan 0.000 0.448 273 A N 1.435 124.253 122.820 -0.003 0.000 1.915 273 A HA -0.326 3.994 4.320 -0.000 0.000 0.220 273 A C 2.327 179.971 177.584 0.100 0.000 1.198 273 A CA 2.282 54.330 52.037 0.020 0.000 0.647 273 A CB -0.857 18.124 19.000 -0.031 0.000 0.825 273 A HN 0.308 nan 8.150 nan 0.000 0.456 274 R N -0.278 120.277 120.500 0.093 0.000 2.083 274 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 274 R C 2.377 178.775 176.300 0.162 0.000 1.137 274 R CA 1.754 57.928 56.100 0.124 0.000 0.951 274 R CB -0.380 29.958 30.300 0.064 0.000 0.851 274 R HN 0.615 nan 8.270 nan 0.000 0.434 275 R N -0.040 120.518 120.500 0.097 0.000 2.103 275 R HA -0.119 4.221 4.340 -0.000 0.000 0.242 275 R C 2.331 178.676 176.300 0.075 0.000 1.142 275 R CA 1.765 57.913 56.100 0.081 0.000 0.960 275 R CB -0.505 29.823 30.300 0.046 0.000 0.858 275 R HN 0.128 nan 8.270 nan 0.000 0.439 276 V N 0.919 120.869 119.914 0.061 0.000 2.392 276 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 276 V C 2.498 178.605 176.094 0.022 0.000 1.059 276 V CA 2.028 64.342 62.300 0.024 0.000 1.051 276 V CB -0.948 30.876 31.823 0.001 0.000 0.658 276 V HN 0.481 nan 8.190 nan 0.000 0.455 277 H N 0.632 119.689 119.070 -0.022 0.000 2.321 277 H HA -0.182 4.374 4.556 -0.000 0.000 0.300 277 H C 1.987 177.303 175.328 -0.021 0.000 1.087 277 H CA 2.154 58.170 56.048 -0.053 0.000 1.319 277 H CB -0.069 29.735 29.762 0.071 0.000 1.379 277 H HN 0.405 nan 8.280 nan 0.000 0.501 278 D N 0.451 120.864 120.400 0.021 0.000 2.117 278 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 278 D C 2.582 178.856 176.300 -0.043 0.000 0.982 278 D CA 0.886 54.871 54.000 -0.025 0.000 0.828 278 D CB -0.282 40.575 40.800 0.095 0.000 0.967 278 D HN 0.239 nan 8.370 nan 0.000 0.464 279 V N 0.738 120.654 119.914 0.003 0.000 2.295 279 V HA -0.273 3.846 4.120 -0.000 0.000 0.246 279 V C 2.723 178.862 176.094 0.075 0.000 1.049 279 V CA 1.332 63.668 62.300 0.060 0.000 1.024 279 V CB -0.497 31.351 31.823 0.041 0.000 0.648 279 V HN 0.287 nan 8.190 nan 0.000 0.447 280 C N 0.022 119.299 119.300 -0.038 0.000 2.429 280 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 280 C C 3.089 178.040 174.990 -0.064 0.000 1.262 280 C CA 0.778 59.762 59.018 -0.058 0.000 1.733 280 C CB -1.335 26.320 27.740 -0.141 0.000 2.010 280 C HN 0.645 nan 8.230 nan 0.000 0.483 281 A N 0.522 123.239 122.820 -0.172 0.000 1.877 281 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 281 A C 2.329 179.862 177.584 -0.084 0.000 1.186 281 A CA 2.061 53.995 52.037 -0.171 0.000 0.620 281 A CB -0.960 17.864 19.000 -0.292 0.000 0.822 281 A HN 0.608 nan 8.150 nan 0.000 0.443 282 A N -1.882 120.896 122.820 -0.070 0.000 2.178 282 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 282 A C 1.705 179.160 177.584 -0.215 0.000 1.157 282 A CA 1.301 53.265 52.037 -0.122 0.000 0.689 282 A CB -0.720 18.201 19.000 -0.133 0.000 0.787 282 A HN 0.694 nan 8.150 nan 0.000 0.465 283 H N -1.495 117.540 119.070 -0.057 0.000 2.652 283 H HA 0.240 4.796 4.556 -0.000 0.000 0.274 283 H C 1.519 176.822 175.328 -0.042 0.000 1.021 283 H CA 0.461 56.483 56.048 -0.045 0.000 1.187 283 H CB 0.250 29.986 29.762 -0.045 0.000 1.505 283 H HN 0.590 nan 8.280 nan 0.000 0.530 284 G N 1.919 110.735 108.800 0.026 0.000 2.198 284 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 284 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 284 G C 0.083 174.987 174.900 0.007 0.000 1.025 284 G CA -0.007 45.096 45.100 0.004 0.000 0.769 284 G HN 0.226 nan 8.290 nan 0.000 0.507 285 I N 1.572 122.143 120.570 0.002 0.000 2.291 285 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 285 I C -1.802 174.289 176.117 -0.044 0.000 1.050 285 I CA -2.832 58.460 61.300 -0.014 0.000 1.245 285 I CB 0.712 38.699 38.000 -0.021 0.000 1.405 285 I HN -0.100 nan 8.210 nan 0.000 0.478 286 P HA 0.139 nan 4.420 nan 0.000 0.269 286 P C -0.356 176.925 177.300 -0.030 0.000 1.215 286 P CA 0.038 63.126 63.100 -0.020 0.000 0.780 286 P CB 0.876 32.594 31.700 0.029 0.000 0.898 287 V N -0.656 119.197 119.914 -0.103 0.000 3.001 287 V HA 0.905 5.025 4.120 -0.000 0.000 0.314 287 V C -1.345 174.720 176.094 -0.049 0.000 1.099 287 V CA -0.850 61.335 62.300 -0.192 0.000 0.989 287 V CB 2.543 34.079 31.823 -0.479 0.000 1.040 287 V HN 0.782 nan 8.190 nan 0.000 0.434 288 W N 0.383 121.591 121.300 -0.154 0.000 3.083 288 W HA 0.684 5.344 4.660 -0.000 0.000 0.333 288 W C -1.353 175.341 176.519 0.292 0.000 1.217 288 W CA -1.546 55.870 57.345 0.118 0.000 1.170 288 W CB 1.080 30.606 29.460 0.111 0.000 1.437 288 W HN 0.860 nan 8.180 nan 0.000 0.557 289 C N 2.890 122.589 119.300 0.665 0.000 2.394 289 C HA 0.671 5.131 4.460 -0.000 0.000 0.362 289 C C 1.121 176.227 174.990 0.193 0.000 1.268 289 C CA 0.605 59.840 59.018 0.362 0.000 1.828 289 C CB -0.860 27.017 27.740 0.228 0.000 2.442 289 C HN 0.766 nan 8.230 nan 0.000 0.549 290 G N 3.916 112.658 108.800 -0.096 0.000 2.448 290 G HA2 0.608 4.568 3.960 -0.000 0.000 0.285 290 G HA3 0.608 4.568 3.960 -0.000 0.000 0.285 290 G C -0.103 174.799 174.900 0.002 0.000 1.176 290 G CA -0.092 44.932 45.100 -0.125 0.000 0.852 290 G HN 1.140 nan 8.290 nan 0.000 0.530 291 G N 0.025 108.850 108.800 0.042 0.000 2.482 291 G HA2 0.487 4.447 3.960 -0.000 0.000 0.317 291 G HA3 0.487 4.447 3.960 -0.000 0.000 0.317 291 G C -0.034 174.846 174.900 -0.035 0.000 1.241 291 G CA -0.644 44.467 45.100 0.018 0.000 0.967 291 G HN 0.401 nan 8.290 nan 0.000 0.482 292 M N 2.520 122.074 119.600 -0.076 0.000 2.869 292 M HA 0.280 4.760 4.480 -0.000 0.000 0.353 292 M C 0.412 176.609 176.300 -0.172 0.000 1.224 292 M CA -0.412 54.806 55.300 -0.136 0.000 0.917 292 M CB -0.625 31.880 32.600 -0.158 0.000 1.322 292 M HN 0.599 nan 8.290 nan 0.000 0.516 293 I N 1.247 121.667 120.570 -0.249 0.000 7.277 293 I HA -0.335 3.835 4.170 -0.000 0.000 0.126 293 I C -0.262 175.734 176.117 -0.202 0.000 1.720 293 I CA 0.734 61.736 61.300 -0.496 0.000 2.268 293 I CB -1.314 36.093 38.000 -0.989 0.000 3.404 293 I HN 0.401 nan 8.210 nan 0.000 0.234 294 E N 2.091 122.257 120.200 -0.057 0.000 2.232 294 E HA 0.576 4.926 4.350 -0.000 0.000 0.264 294 E C 0.740 177.419 176.600 0.130 0.000 0.973 294 E CA -0.350 56.078 56.400 0.046 0.000 0.849 294 E CB 1.132 30.855 29.700 0.038 0.000 1.198 294 E HN 0.500 nan 8.360 nan 0.000 0.407 295 T N -1.842 112.816 114.554 0.172 0.000 2.773 295 T HA 0.130 4.480 4.350 -0.000 0.000 0.337 295 T C 1.380 176.173 174.700 0.156 0.000 1.086 295 T CA -0.114 62.108 62.100 0.203 0.000 0.998 295 T CB 0.336 69.267 68.868 0.106 0.000 1.281 295 T HN 0.535 nan 8.240 nan 0.000 0.525 296 G N -0.539 108.356 108.800 0.158 0.000 2.471 296 G HA2 0.017 3.977 3.960 -0.000 0.000 0.219 296 G HA3 0.017 3.977 3.960 -0.000 0.000 0.219 296 G C 1.427 176.424 174.900 0.162 0.000 1.125 296 G CA 0.492 45.731 45.100 0.231 0.000 0.775 296 G HN 0.627 nan 8.290 nan 0.000 0.548 297 L N 0.523 121.762 121.223 0.027 0.000 1.982 297 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 297 L C 3.173 180.032 176.870 -0.018 0.000 1.078 297 L CA 1.364 56.179 54.840 -0.041 0.000 0.749 297 L CB -1.168 40.849 42.059 -0.069 0.000 0.894 297 L HN 0.273 nan 8.230 nan 0.000 0.436 298 G N -0.269 108.552 108.800 0.035 0.000 2.442 298 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 298 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 298 G C 1.745 176.661 174.900 0.026 0.000 1.141 298 G CA 0.864 46.012 45.100 0.081 0.000 0.763 298 G HN 0.254 nan 8.290 nan 0.000 0.554 299 R N 0.559 121.038 120.500 -0.034 0.000 2.105 299 R HA -0.016 4.324 4.340 -0.000 0.000 0.239 299 R C 2.732 178.788 176.300 -0.406 0.000 1.135 299 R CA 1.668 57.638 56.100 -0.216 0.000 0.967 299 R CB -0.346 29.817 30.300 -0.228 0.000 0.861 299 R HN 0.294 nan 8.270 nan 0.000 0.442 300 A N -0.037 122.671 122.820 -0.186 0.000 1.968 300 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 300 A C 2.218 179.728 177.584 -0.123 0.000 1.169 300 A CA 1.227 53.228 52.037 -0.059 0.000 0.638 300 A CB -0.473 18.626 19.000 0.164 0.000 0.812 300 A HN 0.514 nan 8.150 nan 0.000 0.446 301 A N 0.517 123.233 122.820 -0.174 0.000 1.874 301 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 301 A C 1.881 179.484 177.584 0.031 0.000 1.189 301 A CA 1.543 53.463 52.037 -0.195 0.000 0.615 301 A CB -0.583 18.063 19.000 -0.589 0.000 0.830 301 A HN 0.487 nan 8.150 nan 0.000 0.443 302 N N 0.475 119.237 118.700 0.103 0.000 2.061 302 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 302 N C 1.628 177.105 175.510 -0.054 0.000 1.030 302 N CA 1.667 54.781 53.050 0.106 0.000 0.856 302 N CB -0.818 37.692 38.487 0.038 0.000 1.023 302 N HN 0.212 nan 8.380 nan 0.000 0.424 303 V N 1.237 121.073 119.914 -0.131 0.000 2.392 303 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 303 V C 2.280 178.313 176.094 -0.101 0.000 1.059 303 V CA 1.822 64.032 62.300 -0.151 0.000 1.051 303 V CB -0.897 30.792 31.823 -0.222 0.000 0.658 303 V HN 0.361 nan 8.190 nan 0.000 0.455 304 A N -0.491 122.297 122.820 -0.054 0.000 1.872 304 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 304 A C 2.113 179.636 177.584 -0.102 0.000 1.187 304 A CA 1.796 53.818 52.037 -0.024 0.000 0.614 304 A CB -0.544 18.496 19.000 0.067 0.000 0.826 304 A HN 0.424 nan 8.150 nan 0.000 0.442 305 L N 0.244 121.406 121.223 -0.102 0.000 1.955 305 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 305 L C 2.573 178.998 176.870 -0.740 0.000 1.072 305 L CA 2.496 57.191 54.840 -0.240 0.000 0.755 305 L CB -0.961 41.073 42.059 -0.042 0.000 0.888 305 L HN 0.348 nan 8.230 nan 0.000 0.432 306 A N -1.276 121.091 122.820 -0.754 0.000 2.285 306 A HA -0.177 4.143 4.320 -0.000 0.000 0.214 306 A C 2.126 179.381 177.584 -0.547 0.000 1.188 306 A CA 1.558 53.010 52.037 -0.975 0.000 0.707 306 A CB -1.094 17.688 19.000 -0.363 0.000 0.771 306 A HN 0.707 nan 8.150 nan 0.000 0.488 307 S N -1.512 113.979 115.700 -0.349 0.000 2.577 307 S HA 0.396 4.866 4.470 -0.000 0.000 0.219 307 S C 0.170 174.737 174.600 -0.055 0.000 0.962 307 S CA -0.525 57.605 58.200 -0.117 0.000 0.921 307 S CB -0.395 62.775 63.200 -0.050 0.000 0.789 307 S HN 0.127 nan 8.310 nan 0.000 0.497 308 L N 2.585 123.723 121.223 -0.142 0.000 2.439 308 L HA 0.370 4.710 4.340 -0.000 0.000 0.269 308 L C -1.259 175.821 176.870 0.351 0.000 1.179 308 L CA -1.747 53.114 54.840 0.035 0.000 0.828 308 L CB 0.099 42.009 42.059 -0.249 0.000 1.106 308 L HN -0.003 nan 8.230 nan 0.000 0.467 309 P HA -0.203 nan 4.420 nan 0.000 0.216 309 P C 0.941 178.461 177.300 0.366 0.000 1.154 309 P CA 1.352 64.640 63.100 0.314 0.000 0.865 309 P CB 0.181 32.028 31.700 0.244 0.000 0.789 310 N N -1.675 117.379 118.700 0.590 0.000 2.521 310 N HA -0.025 4.715 4.740 -0.000 0.000 0.188 310 N C -0.362 175.225 175.510 0.128 0.000 1.146 310 N CA -0.020 53.134 53.050 0.174 0.000 0.893 310 N CB -0.798 37.498 38.487 -0.317 0.000 0.975 310 N HN -0.038 nan 8.380 nan 0.000 0.451 311 F N 0.354 120.449 119.950 0.242 0.000 2.605 311 F HA 0.158 4.685 4.527 -0.000 0.000 0.352 311 F C 1.523 177.410 175.800 0.145 0.000 1.236 311 F CA -0.219 57.899 58.000 0.196 0.000 1.267 311 F CB -0.032 39.068 39.000 0.167 0.000 1.632 311 F HN 0.014 nan 8.300 nan 0.000 0.639 312 T N -0.972 113.701 114.554 0.199 0.000 3.107 312 T HA 0.313 4.663 4.350 -0.000 0.000 0.249 312 T C 0.376 175.145 174.700 0.115 0.000 1.096 312 T CA 0.233 62.418 62.100 0.142 0.000 1.012 312 T CB -0.155 68.766 68.868 0.089 0.000 0.977 312 T HN 0.216 nan 8.240 nan 0.000 0.527 313 L N 1.332 122.648 121.223 0.155 0.000 2.370 313 L HA 0.540 4.880 4.340 -0.000 0.000 0.266 313 L C -2.602 174.332 176.870 0.106 0.000 1.002 313 L CA -2.999 51.882 54.840 0.068 0.000 0.818 313 L CB 2.193 44.236 42.059 -0.027 0.000 1.325 313 L HN -0.163 nan 8.230 nan 0.000 0.418 314 P HA 0.085 nan 4.420 nan 0.000 0.265 314 P C -0.210 177.117 177.300 0.046 0.000 1.193 314 P CA -0.015 63.080 63.100 -0.009 0.000 0.765 314 P CB 0.638 32.291 31.700 -0.078 0.000 0.823 315 G N 1.215 110.116 108.800 0.168 0.000 2.521 315 G HA2 0.239 4.199 3.960 -0.000 0.000 0.323 315 G HA3 0.239 4.199 3.960 -0.000 0.000 0.323 315 G C -0.634 174.395 174.900 0.214 0.000 1.211 315 G CA -0.508 44.806 45.100 0.357 0.000 0.979 315 G HN 0.296 nan 8.290 nan 0.000 0.490 316 D N 0.998 121.600 120.400 0.337 0.000 2.688 316 D HA 0.215 4.855 4.640 -0.000 0.000 0.228 316 D C 0.691 177.045 176.300 0.089 0.000 1.116 316 D CA 0.278 54.386 54.000 0.179 0.000 1.023 316 D CB 0.004 40.957 40.800 0.255 0.000 1.100 316 D HN 0.359 nan 8.370 nan 0.000 0.487 317 T N -2.148 112.434 114.554 0.047 0.000 3.514 317 T HA 0.341 4.691 4.350 -0.000 0.000 0.259 317 T C 0.367 175.067 174.700 0.001 0.000 1.466 317 T CA -0.734 61.360 62.100 -0.009 0.000 1.562 317 T CB 0.109 68.958 68.868 -0.032 0.000 0.924 317 T HN -0.167 nan 8.240 nan 0.000 0.678 318 S N 1.838 117.528 115.700 -0.018 0.000 2.632 318 S HA 0.698 5.168 4.470 -0.000 0.000 0.267 318 S C 0.910 175.550 174.600 0.067 0.000 1.276 318 S CA -0.752 57.487 58.200 0.066 0.000 0.998 318 S CB 0.698 63.737 63.200 -0.269 0.000 0.953 318 S HN 0.980 nan 8.310 nan 0.000 0.547 319 A N 1.468 124.406 122.820 0.196 0.000 2.462 319 A HA 0.314 4.634 4.320 -0.000 0.000 0.243 319 A C 1.491 179.132 177.584 0.096 0.000 1.076 319 A CA -0.332 51.798 52.037 0.154 0.000 0.773 319 A CB -0.256 18.834 19.000 0.151 0.000 1.010 319 A HN 0.766 nan 8.150 nan 0.000 0.493 320 S N 1.099 116.897 115.700 0.164 0.000 2.406 320 S HA -0.261 4.209 4.470 -0.000 0.000 0.242 320 S C 1.611 176.262 174.600 0.084 0.000 1.079 320 S CA 2.219 60.509 58.200 0.150 0.000 1.133 320 S CB -0.502 62.826 63.200 0.214 0.000 1.005 320 S HN 1.019 nan 8.310 nan 0.000 0.443 321 D N 0.686 121.142 120.400 0.093 0.000 2.400 321 D HA -0.140 4.500 4.640 -0.000 0.000 0.242 321 D C 1.494 177.812 176.300 0.029 0.000 1.077 321 D CA 0.386 54.434 54.000 0.081 0.000 0.943 321 D CB -0.334 40.515 40.800 0.083 0.000 0.882 321 D HN 0.317 nan 8.370 nan 0.000 0.529 322 R N -0.502 119.940 120.500 -0.095 0.000 2.100 322 R HA 0.010 4.350 4.340 -0.000 0.000 0.220 322 R C 1.215 177.287 176.300 -0.380 0.000 1.091 322 R CA 0.624 56.554 56.100 -0.283 0.000 0.986 322 R CB -0.186 29.753 30.300 -0.602 0.000 0.888 322 R HN 0.293 nan 8.270 nan 0.000 0.444 323 F N -1.669 118.173 119.950 -0.182 0.000 2.537 323 F HA 0.230 4.757 4.527 -0.000 0.000 0.277 323 F C 0.320 176.080 175.800 -0.068 0.000 1.013 323 F CA -0.406 57.400 58.000 -0.324 0.000 1.332 323 F CB 0.381 38.848 39.000 -0.888 0.000 1.108 323 F HN -0.185 nan 8.300 nan 0.000 0.679 324 Y N 1.389 121.826 120.300 0.230 0.000 2.331 324 Y HA 0.220 4.770 4.550 -0.000 0.000 0.338 324 Y C 1.161 177.118 175.900 0.096 0.000 0.992 324 Y CA -1.056 57.128 58.100 0.140 0.000 1.121 324 Y CB 1.673 40.204 38.460 0.118 0.000 1.184 324 Y HN -0.136 nan 8.280 nan 0.000 0.469 325 K N 1.386 121.945 120.400 0.265 0.000 2.057 325 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 325 K C -0.203 176.468 176.600 0.118 0.000 1.049 325 K CA 1.309 57.684 56.287 0.147 0.000 0.931 325 K CB 0.104 32.666 32.500 0.104 0.000 0.714 325 K HN 0.593 nan 8.250 nan 0.000 0.440 326 T N 1.820 116.441 114.554 0.111 0.000 2.963 326 T HA 0.113 4.463 4.350 -0.000 0.000 0.328 326 T C -1.356 173.381 174.700 0.063 0.000 1.048 326 T CA -0.776 61.363 62.100 0.064 0.000 1.033 326 T CB 1.354 70.234 68.868 0.019 0.000 1.010 326 T HN 0.122 nan 8.240 nan 0.000 0.469 327 D N 1.870 122.329 120.400 0.098 0.000 2.344 327 D HA 0.158 4.798 4.640 -0.000 0.000 0.244 327 D C 1.400 177.708 176.300 0.014 0.000 1.134 327 D CA -0.755 53.307 54.000 0.103 0.000 0.930 327 D CB 0.955 41.842 40.800 0.145 0.000 1.175 327 D HN 0.596 nan 8.370 nan 0.000 0.437 328 I N -0.749 119.811 120.570 -0.017 0.000 3.749 328 I HA 0.141 4.311 4.170 -0.000 0.000 0.314 328 I C 0.431 176.482 176.117 -0.111 0.000 1.267 328 I CA -0.048 61.208 61.300 -0.073 0.000 1.169 328 I CB -0.281 37.657 38.000 -0.103 0.000 1.009 328 I HN 0.180 nan 8.210 nan 0.000 0.444 329 T N -2.691 111.813 114.554 -0.083 0.000 2.841 329 T HA 0.414 4.764 4.350 -0.000 0.000 0.296 329 T C -0.514 174.117 174.700 -0.116 0.000 1.166 329 T CA -0.778 61.250 62.100 -0.119 0.000 1.007 329 T CB 1.765 70.561 68.868 -0.121 0.000 1.253 329 T HN 0.111 nan 8.240 nan 0.000 0.511 330 E N 2.442 122.544 120.200 -0.162 0.000 2.493 330 E HA 0.281 4.631 4.350 -0.000 0.000 0.255 330 E C -2.166 174.282 176.600 -0.254 0.000 0.999 330 E CA -1.010 55.277 56.400 -0.187 0.000 0.934 330 E CB 0.093 29.668 29.700 -0.209 0.000 0.940 330 E HN 0.371 nan 8.360 nan 0.000 0.473 331 P HA -0.019 nan 4.420 nan 0.000 0.270 331 P C -0.745 176.421 177.300 -0.224 0.000 1.227 331 P CA 0.311 63.356 63.100 -0.092 0.000 0.788 331 P CB 0.333 32.033 31.700 -0.000 0.000 0.926 332 F N 0.009 119.963 119.950 0.007 0.000 2.410 332 F HA 0.313 4.840 4.527 -0.000 0.000 0.349 332 F C 0.268 176.070 175.800 0.004 0.000 1.117 332 F CA -0.271 57.731 58.000 0.003 0.000 1.104 332 F CB 1.138 40.142 39.000 0.007 0.000 1.122 332 F HN -0.115 nan 8.300 nan 0.000 0.483 333 V N 5.782 125.776 119.914 0.134 0.000 2.407 333 V HA 0.225 4.345 4.120 -0.000 0.000 0.291 333 V C -0.240 175.884 176.094 0.049 0.000 1.018 333 V CA -0.933 61.408 62.300 0.068 0.000 0.842 333 V CB 1.500 33.331 31.823 0.014 0.000 0.996 333 V HN 0.485 nan 8.190 nan 0.000 0.426 334 L N 4.367 125.591 121.223 0.002 0.000 2.559 334 L HA 0.141 4.481 4.340 -0.000 0.000 0.282 334 L C 0.604 177.448 176.870 -0.043 0.000 1.232 334 L CA 1.324 56.123 54.840 -0.068 0.000 0.885 334 L CB 0.924 42.825 42.059 -0.264 0.000 1.131 334 L HN 0.724 nan 8.230 nan 0.000 0.498 335 S N 2.679 118.371 115.700 -0.014 0.000 2.721 335 S HA 0.536 5.006 4.470 -0.000 0.000 0.264 335 S C 0.346 174.951 174.600 0.009 0.000 1.161 335 S CA -0.136 58.059 58.200 -0.008 0.000 1.113 335 S CB 0.554 63.753 63.200 -0.001 0.000 1.079 335 S HN 1.182 nan 8.310 nan 0.000 0.479 336 G N 2.476 111.269 108.800 -0.012 0.000 2.225 336 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.267 336 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.267 336 G C 1.187 176.146 174.900 0.099 0.000 1.024 336 G CA 0.769 45.875 45.100 0.011 0.000 0.784 336 G HN 2.079 nan 8.290 nan 0.000 0.507 337 G N -2.050 106.760 108.800 0.017 0.000 2.176 337 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 337 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 337 G C 0.233 175.148 174.900 0.024 0.000 0.979 337 G CA 1.060 46.144 45.100 -0.027 0.000 0.641 337 G HN 1.218 nan 8.290 nan 0.000 0.530 338 H N -1.428 117.605 119.070 -0.062 0.000 2.693 338 H HA 0.740 5.296 4.556 -0.000 0.000 0.348 338 H C -0.883 174.440 175.328 -0.008 0.000 1.222 338 H CA -0.860 55.175 56.048 -0.022 0.000 1.270 338 H CB 1.959 31.720 29.762 -0.003 0.000 1.798 338 H HN 0.089 nan 8.280 nan 0.000 0.592 339 L N 1.888 123.209 121.223 0.164 0.000 2.381 339 L HA 0.365 4.705 4.340 -0.000 0.000 0.268 339 L C -2.542 174.420 176.870 0.154 0.000 0.997 339 L CA -2.213 52.713 54.840 0.143 0.000 0.818 339 L CB 1.970 44.086 42.059 0.096 0.000 1.310 339 L HN 0.403 nan 8.230 nan 0.000 0.416 340 P HA 0.295 nan 4.420 nan 0.000 0.292 340 P C -0.781 176.616 177.300 0.162 0.000 1.287 340 P CA -0.432 62.748 63.100 0.133 0.000 0.800 340 P CB 1.194 32.951 31.700 0.095 0.000 0.945 341 V N 6.289 126.268 119.914 0.107 0.000 2.572 341 V HA 0.105 4.225 4.120 -0.000 0.000 0.291 341 V C -1.739 174.413 176.094 0.097 0.000 1.039 341 V CA -1.142 61.215 62.300 0.094 0.000 1.055 341 V CB -0.287 31.569 31.823 0.055 0.000 0.969 341 V HN 0.535 nan 8.190 nan 0.000 0.482 342 P HA 0.109 nan 4.420 nan 0.000 0.265 342 P C 0.787 178.118 177.300 0.051 0.000 1.193 342 P CA 0.186 63.335 63.100 0.081 0.000 0.765 342 P CB 0.506 32.258 31.700 0.087 0.000 0.823 343 T N -0.716 113.857 114.554 0.031 0.000 3.015 343 T HA 0.211 4.561 4.350 -0.000 0.000 0.250 343 T C 1.088 175.803 174.700 0.025 0.000 1.057 343 T CA 0.148 62.264 62.100 0.027 0.000 1.066 343 T CB -0.230 68.649 68.868 0.018 0.000 0.959 343 T HN 0.430 nan 8.240 nan 0.000 0.488 344 G N 2.834 111.644 108.800 0.016 0.000 2.621 344 G HA2 0.539 4.499 3.960 -0.000 0.000 0.271 344 G HA3 0.539 4.499 3.960 -0.000 0.000 0.271 344 G C -2.626 172.295 174.900 0.034 0.000 1.236 344 G CA -1.444 43.667 45.100 0.018 0.000 0.958 344 G HN 0.137 nan 8.290 nan 0.000 0.512 345 P HA 0.249 nan 4.420 nan 0.000 0.271 345 P C 1.098 178.435 177.300 0.061 0.000 1.233 345 P CA 0.826 63.966 63.100 0.066 0.000 0.789 345 P CB 0.218 31.958 31.700 0.067 0.000 0.951 346 G N 0.336 109.206 108.800 0.117 0.000 2.602 346 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.306 346 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.306 346 G C 1.079 175.910 174.900 -0.114 0.000 1.301 346 G CA 0.557 45.719 45.100 0.103 0.000 0.974 346 G HN 0.504 nan 8.290 nan 0.000 0.547 347 L N 1.332 122.315 121.223 -0.400 0.000 2.189 347 L HA 0.097 4.437 4.340 -0.000 0.000 0.214 347 L C 2.645 179.400 176.870 -0.192 0.000 1.097 347 L CA 1.519 56.060 54.840 -0.500 0.000 0.764 347 L CB -1.068 40.718 42.059 -0.455 0.000 0.900 347 L HN 2.103 nan 8.230 nan 0.000 0.436 348 G N 0.451 109.192 108.800 -0.098 0.000 2.160 348 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.251 348 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.251 348 G C 0.107 174.968 174.900 -0.064 0.000 1.008 348 G CA 0.306 45.379 45.100 -0.046 0.000 0.724 348 G HN 0.495 nan 8.290 nan 0.000 0.514 349 V N -4.913 114.947 119.914 -0.090 0.000 3.204 349 V HA 1.048 5.168 4.120 -0.000 0.000 0.298 349 V C -0.250 175.750 176.094 -0.156 0.000 1.328 349 V CA -0.434 61.796 62.300 -0.116 0.000 1.035 349 V CB 1.502 33.259 31.823 -0.109 0.000 1.095 349 V HN 2.132 nan 8.190 nan 0.000 0.442 350 A N 2.253 124.951 122.820 -0.203 0.000 2.610 350 A HA 1.049 5.369 4.320 -0.000 0.000 0.291 350 A C -3.320 174.057 177.584 -0.345 0.000 1.086 350 A CA -1.313 50.523 52.037 -0.336 0.000 0.677 350 A CB 1.665 20.568 19.000 -0.161 0.000 1.278 350 A HN 0.817 nan 8.150 nan 0.000 0.414 351 P HA 0.561 nan 4.420 nan 0.000 0.274 351 P C -0.781 176.409 177.300 -0.184 0.000 1.256 351 P CA -0.134 62.739 63.100 -0.377 0.000 0.795 351 P CB 0.427 31.806 31.700 -0.535 0.000 1.038 352 I N 0.880 121.373 120.570 -0.128 0.000 2.537 352 I HA 0.202 4.372 4.170 -0.000 0.000 0.276 352 I C -1.544 174.546 176.117 -0.045 0.000 1.063 352 I CA -2.317 58.942 61.300 -0.068 0.000 1.144 352 I CB 1.669 39.631 38.000 -0.064 0.000 1.252 352 I HN 0.164 nan 8.210 nan 0.000 0.480 353 P HA -0.294 nan 4.420 nan 0.000 0.222 353 P C 1.283 178.584 177.300 0.002 0.000 1.157 353 P CA 1.848 64.954 63.100 0.010 0.000 0.905 353 P CB 0.133 31.855 31.700 0.038 0.000 0.792 354 E N -1.014 119.183 120.200 -0.005 0.000 2.106 354 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 354 E C 1.934 178.527 176.600 -0.013 0.000 0.984 354 E CA 0.700 57.096 56.400 -0.006 0.000 0.806 354 E CB -1.194 28.502 29.700 -0.007 0.000 0.750 354 E HN 0.033 nan 8.360 nan 0.000 0.458 355 L N 0.447 121.657 121.223 -0.022 0.000 2.012 355 L HA -0.146 4.193 4.340 -0.000 0.000 0.210 355 L C 2.311 179.160 176.870 -0.035 0.000 1.073 355 L CA 1.368 56.189 54.840 -0.031 0.000 0.748 355 L CB -0.984 41.050 42.059 -0.042 0.000 0.891 355 L HN 0.286 nan 8.230 nan 0.000 0.431 356 L N -0.344 120.860 121.223 -0.032 0.000 1.948 356 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 356 L C 2.240 179.110 176.870 0.001 0.000 1.074 356 L CA 1.934 56.761 54.840 -0.020 0.000 0.753 356 L CB -1.149 40.907 42.059 -0.005 0.000 0.888 356 L HN 0.377 nan 8.230 nan 0.000 0.432 357 D N -0.749 119.658 120.400 0.012 0.000 2.221 357 D HA -0.181 4.459 4.640 -0.000 0.000 0.204 357 D C 1.842 178.145 176.300 0.004 0.000 0.982 357 D CA 0.902 54.912 54.000 0.016 0.000 0.857 357 D CB 0.073 40.884 40.800 0.019 0.000 0.934 357 D HN 0.427 nan 8.370 nan 0.000 0.475 358 E N 0.667 120.864 120.200 -0.005 0.000 2.160 358 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 358 E C 2.494 179.084 176.600 -0.017 0.000 0.991 358 E CA 0.682 57.075 56.400 -0.011 0.000 0.810 358 E CB -0.090 29.601 29.700 -0.014 0.000 0.742 358 E HN 0.398 nan 8.360 nan 0.000 0.466 359 V N -1.883 118.017 119.914 -0.024 0.000 2.825 359 V HA 0.094 4.213 4.120 -0.000 0.000 0.246 359 V C 1.170 177.254 176.094 -0.016 0.000 1.068 359 V CA 0.213 62.492 62.300 -0.035 0.000 1.088 359 V CB -0.649 31.134 31.823 -0.067 0.000 0.733 359 V HN -0.104 nan 8.190 nan 0.000 0.468 360 T N 1.678 116.233 114.554 0.002 0.000 2.946 360 T HA 0.172 4.522 4.350 -0.000 0.000 0.312 360 T C 0.998 175.707 174.700 0.016 0.000 1.066 360 T CA 1.371 63.483 62.100 0.020 0.000 1.138 360 T CB 1.018 69.908 68.868 0.036 0.000 1.014 360 T HN 0.543 nan 8.240 nan 0.000 0.544 361 T N 0.804 115.370 114.554 0.020 0.000 2.954 361 T HA 0.546 4.896 4.350 -0.000 0.000 0.252 361 T C 0.363 175.077 174.700 0.023 0.000 0.983 361 T CA 0.362 62.473 62.100 0.018 0.000 0.941 361 T CB 0.429 69.307 68.868 0.016 0.000 1.141 361 T HN 0.813 nan 8.240 nan 0.000 0.500 362 A N 0.846 123.684 122.820 0.029 0.000 2.588 362 A HA 0.840 5.160 4.320 -0.000 0.000 0.290 362 A C -1.640 175.968 177.584 0.040 0.000 1.136 362 A CA -0.696 51.360 52.037 0.031 0.000 0.681 362 A CB 1.671 20.688 19.000 0.029 0.000 1.282 362 A HN 0.053 nan 8.150 nan 0.000 0.421 363 K N 0.014 120.438 120.400 0.040 0.000 2.583 363 K HA 0.566 4.886 4.320 -0.000 0.000 0.260 363 K C -2.264 174.368 176.600 0.054 0.000 0.931 363 K CA -0.350 55.969 56.287 0.053 0.000 0.849 363 K CB 2.135 34.670 32.500 0.060 0.000 1.347 363 K HN 0.875 nan 8.250 nan 0.000 0.425 364 V N 2.758 122.710 119.914 0.064 0.000 2.932 364 V HA 0.526 4.646 4.120 -0.000 0.000 0.307 364 V C -1.113 175.051 176.094 0.117 0.000 1.147 364 V CA -1.041 61.297 62.300 0.062 0.000 0.951 364 V CB 2.074 33.894 31.823 -0.005 0.000 1.031 364 V HN 0.806 nan 8.190 nan 0.000 0.426 365 W N 5.611 126.873 121.300 -0.065 0.000 2.529 365 W HA 0.769 5.429 4.660 -0.000 0.000 0.321 365 W C -1.800 174.667 176.519 -0.088 0.000 1.047 365 W CA -0.801 56.500 57.345 -0.074 0.000 1.216 365 W CB 1.563 30.985 29.460 -0.064 0.000 1.357 365 W HN 0.527 nan 8.180 nan 0.000 0.489 366 I N 6.537 126.566 120.570 -0.901 0.000 2.389 366 I HA 0.544 4.714 4.170 -0.000 0.000 0.288 366 I C 0.437 175.876 176.117 -1.130 0.000 0.999 366 I CA -0.548 60.292 61.300 -0.767 0.000 1.129 366 I CB 1.368 39.060 38.000 -0.514 0.000 1.288 366 I HN 0.502 nan 8.210 nan 0.000 0.444 367 G N 3.470 111.859 108.800 -0.684 0.000 2.798 367 G HA2 0.674 4.634 3.960 -0.000 0.000 0.286 367 G HA3 0.674 4.634 3.960 -0.000 0.000 0.286 367 G C -0.788 174.013 174.900 -0.166 0.000 1.389 367 G CA -0.473 44.401 45.100 -0.377 0.000 0.894 367 G HN 0.606 nan 8.290 nan 0.000 0.488 368 S N 0.000 115.662 115.700 -0.064 0.000 2.498 368 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 368 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 368 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 368 S HN 0.000 nan 8.310 nan 0.000 0.517