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 1ew2_1_A DATA FIRST_RESID 1 DATA SEQUENCE IIPVEEENPD FWNREAAEAL GAAKKLQPAQ TAAKNLIIFL GDGMGVSTVT DATA SEQUENCE AARILKGQKK DKLGPEIPLA MDRFPYVALS KTYNVDKHVP DSGATATAYL DATA SEQUENCE CGVKGNFQTI GLSAAARFNQ cNTTRGNEVI SVMNRAKKAG KSVGVVTTTR DATA SEQUENCE VQHASPAGTY AHTVNRNWYS DADVPASARQ EGcQDIATQL ISNMDIDVIL DATA SEQUENCE GGGRKYMFRM GTPDPEYPDD YSQGGTRLDG KNLVQEWLAK RQGARYVWNR DATA SEQUENCE TELMQASLDP SVTHLMGLFE PGDMKYEIHR DSTLDPSLME MTEAALRLLS DATA SEQUENCE RNPRGFFLFV EGGRIDHGHH ESRAYRALTE TIMFDDAIER AGQLTSEEDT DATA SEQUENCE LSLVTADHSH VFSFGGYPLR GSSIFGLAPG KARDRKAYTV LLYGNGPGYV DATA SEQUENCE LKDGARPDVT ESESGSPEYR QQSAVPLDEE THAGEDVAVF ARGPQAHLVH DATA SEQUENCE GVQEQTFIAH VMAFAAcLEP YTAcDLAPP 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 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.118 176.117 0.002 0.000 1.063 1 I CA 0.000 61.302 61.300 0.003 0.000 1.566 1 I CB 0.000 38.001 38.000 0.001 0.000 1.214 2 I N 6.819 127.387 120.570 -0.003 0.000 2.307 2 I HA 0.514 4.683 4.170 -0.002 0.000 0.289 2 I C -1.920 174.185 176.117 -0.020 0.000 1.021 2 I CA -1.747 59.549 61.300 -0.006 0.000 1.224 2 I CB 1.683 39.681 38.000 -0.004 0.000 1.376 2 I HN 0.672 nan 8.210 nan 0.000 0.470 3 P HA 0.080 nan 4.420 nan 0.000 0.271 3 P C 0.999 178.248 177.300 -0.085 0.000 1.226 3 P CA -0.202 62.858 63.100 -0.066 0.000 0.765 3 P CB 1.473 33.113 31.700 -0.100 0.000 0.835 4 V N 2.778 122.653 119.914 -0.066 0.000 2.392 4 V HA -0.298 3.821 4.120 -0.002 0.000 0.249 4 V C 2.965 179.008 176.094 -0.086 0.000 1.059 4 V CA 2.726 64.993 62.300 -0.055 0.000 1.051 4 V CB -1.720 30.083 31.823 -0.033 0.000 0.658 4 V HN 0.705 nan 8.190 nan 0.000 0.455 5 E N -0.149 119.965 120.200 -0.143 0.000 2.160 5 E HA -0.299 4.050 4.350 -0.002 0.000 0.195 5 E C 1.900 178.270 176.600 -0.383 0.000 0.991 5 E CA 1.542 57.828 56.400 -0.191 0.000 0.810 5 E CB -0.589 28.998 29.700 -0.188 0.000 0.742 5 E HN 0.821 nan 8.360 nan 0.000 0.466 6 E N -0.379 119.509 120.200 -0.520 0.000 2.482 6 E HA -0.043 4.306 4.350 -0.002 0.000 0.196 6 E C 1.790 178.442 176.600 0.087 0.000 1.047 6 E CA 0.501 56.633 56.400 -0.448 0.000 0.869 6 E CB 0.127 29.655 29.700 -0.286 0.000 0.836 6 E HN 0.684 nan 8.360 nan 0.000 0.520 7 E N 0.805 121.022 120.200 0.028 0.000 2.358 7 E HA -0.055 4.294 4.350 -0.002 0.000 0.195 7 E C 0.516 177.185 176.600 0.115 0.000 1.010 7 E CA 0.105 56.553 56.400 0.079 0.000 0.856 7 E CB -0.044 29.674 29.700 0.031 0.000 0.795 7 E HN 0.138 nan 8.360 nan 0.000 0.504 8 N N 1.093 119.864 118.700 0.118 0.000 2.419 8 N HA 0.039 4.778 4.740 -0.002 0.000 0.264 8 N C -1.994 173.662 175.510 0.244 0.000 1.031 8 N CA -1.872 51.261 53.050 0.139 0.000 0.951 8 N CB 1.266 39.810 38.487 0.095 0.000 1.101 8 N HN -0.275 nan 8.380 nan 0.000 0.488 9 P HA -0.182 nan 4.420 nan 0.000 0.217 9 P C 0.522 177.984 177.300 0.270 0.000 1.151 9 P CA 1.101 64.375 63.100 0.290 0.000 0.849 9 P CB 0.209 32.006 31.700 0.163 0.000 0.787 10 D N -1.871 118.628 120.400 0.164 0.000 2.182 10 D HA -0.190 4.449 4.640 -0.002 0.000 0.201 10 D C 1.628 177.963 176.300 0.057 0.000 0.986 10 D CA 0.688 54.745 54.000 0.096 0.000 0.847 10 D CB -0.744 40.091 40.800 0.059 0.000 0.942 10 D HN 0.055 nan 8.370 nan 0.000 0.467 11 F N -0.501 119.389 119.950 -0.099 0.000 2.065 11 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 11 F C 1.677 177.246 175.800 -0.384 0.000 1.112 11 F CA 1.801 59.614 58.000 -0.311 0.000 1.212 11 F CB -0.513 38.186 39.000 -0.502 0.000 0.975 11 F HN 0.038 nan 8.300 nan 0.000 0.476 12 W N 0.613 122.066 121.300 0.255 0.000 2.418 12 W HA -0.110 4.549 4.660 -0.002 0.000 0.292 12 W C 2.305 178.833 176.519 0.014 0.000 1.213 12 W CA 0.855 58.283 57.345 0.138 0.000 1.283 12 W CB -0.796 28.766 29.460 0.171 0.000 1.119 12 W HN -0.041 nan 8.180 nan 0.000 0.542 13 N N 0.386 119.195 118.700 0.181 0.000 2.188 13 N HA -0.081 4.658 4.740 -0.002 0.000 0.184 13 N C 1.644 177.155 175.510 0.002 0.000 1.018 13 N CA 1.115 54.221 53.050 0.092 0.000 0.858 13 N CB -0.518 38.017 38.487 0.079 0.000 0.989 13 N HN 0.260 nan 8.380 nan 0.000 0.426 14 R N 0.869 121.325 120.500 -0.073 0.000 2.075 14 R HA -0.030 4.309 4.340 -0.002 0.000 0.232 14 R C 1.992 178.196 176.300 -0.161 0.000 1.126 14 R CA 0.706 56.731 56.100 -0.125 0.000 0.963 14 R CB -0.077 30.118 30.300 -0.175 0.000 0.858 14 R HN 0.222 nan 8.270 nan 0.000 0.435 15 E N 1.083 121.135 120.200 -0.246 0.000 2.058 15 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 15 E C 1.760 178.315 176.600 -0.074 0.000 0.997 15 E CA 1.714 57.979 56.400 -0.224 0.000 0.801 15 E CB -0.037 29.467 29.700 -0.327 0.000 0.746 15 E HN 0.312 nan 8.360 nan 0.000 0.450 16 A N 0.984 123.802 122.820 -0.003 0.000 1.969 16 A HA 0.019 4.338 4.320 -0.002 0.000 0.218 16 A C 2.401 179.989 177.584 0.007 0.000 1.169 16 A CA 1.834 53.890 52.037 0.033 0.000 0.635 16 A CB -0.545 18.500 19.000 0.076 0.000 0.810 16 A HN 0.356 nan 8.150 nan 0.000 0.445 17 A N -0.551 122.264 122.820 -0.010 0.000 1.898 17 A HA 0.078 4.397 4.320 -0.002 0.000 0.216 17 A C 2.160 179.729 177.584 -0.025 0.000 1.181 17 A CA 2.282 54.310 52.037 -0.015 0.000 0.620 17 A CB -1.019 17.968 19.000 -0.022 0.000 0.819 17 A HN 0.710 nan 8.150 nan 0.000 0.442 18 E N -0.262 119.912 120.200 -0.044 0.000 2.077 18 E HA 0.023 4.372 4.350 -0.002 0.000 0.193 18 E C 2.309 178.889 176.600 -0.033 0.000 0.989 18 E CA 1.987 58.359 56.400 -0.048 0.000 0.800 18 E CB -1.196 28.460 29.700 -0.075 0.000 0.746 18 E HN 0.999 nan 8.360 nan 0.000 0.452 19 A N 0.383 123.189 122.820 -0.024 0.000 1.883 19 A HA -0.011 4.308 4.320 -0.002 0.000 0.217 19 A C 2.546 180.128 177.584 -0.004 0.000 1.186 19 A CA 1.585 53.617 52.037 -0.008 0.000 0.624 19 A CB -0.468 18.539 19.000 0.011 0.000 0.822 19 A HN 0.468 nan 8.150 nan 0.000 0.444 20 L N -0.847 120.376 121.223 -0.001 0.000 2.017 20 L HA -0.129 4.210 4.340 -0.002 0.000 0.208 20 L C 2.870 179.738 176.870 -0.004 0.000 1.073 20 L CA 1.167 56.008 54.840 0.002 0.000 0.745 20 L CB -0.796 41.266 42.059 0.004 0.000 0.894 20 L HN 0.503 nan 8.230 nan 0.000 0.432 21 G N -0.655 108.138 108.800 -0.011 0.000 2.418 21 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.217 21 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.217 21 G C 1.752 176.643 174.900 -0.015 0.000 1.158 21 G CA 0.808 45.900 45.100 -0.013 0.000 0.771 21 G HN 0.476 nan 8.290 nan 0.000 0.545 22 A N 1.234 124.042 122.820 -0.020 0.000 1.902 22 A HA 0.239 4.558 4.320 -0.002 0.000 0.217 22 A C 2.823 180.393 177.584 -0.023 0.000 1.181 22 A CA 2.321 54.343 52.037 -0.025 0.000 0.623 22 A CB -0.824 18.158 19.000 -0.029 0.000 0.818 22 A HN 0.816 nan 8.150 nan 0.000 0.443 23 A N -0.399 122.411 122.820 -0.015 0.000 1.933 23 A HA -0.146 4.173 4.320 -0.002 0.000 0.218 23 A C 2.071 179.655 177.584 0.001 0.000 1.175 23 A CA 1.861 53.893 52.037 -0.009 0.000 0.628 23 A CB -0.378 18.624 19.000 0.003 0.000 0.814 23 A HN 0.539 nan 8.150 nan 0.000 0.444 24 K N -0.582 119.819 120.400 0.000 0.000 2.288 24 K HA -0.011 4.308 4.320 -0.002 0.000 0.201 24 K C 1.860 178.460 176.600 0.001 0.000 1.048 24 K CA 1.106 57.395 56.287 0.003 0.000 0.956 24 K CB -0.025 32.475 32.500 0.001 0.000 0.746 24 K HN 0.373 nan 8.250 nan 0.000 0.461 25 K N 0.994 121.391 120.400 -0.005 0.000 2.366 25 K HA 0.054 4.372 4.320 -0.002 0.000 0.198 25 K C 0.469 177.068 176.600 -0.001 0.000 1.044 25 K CA 0.134 56.418 56.287 -0.006 0.000 0.973 25 K CB 0.083 32.575 32.500 -0.014 0.000 0.767 25 K HN 0.165 nan 8.250 nan 0.000 0.475 26 L N -0.409 120.816 121.223 0.004 0.000 2.371 26 L HA 0.350 4.689 4.340 -0.002 0.000 0.272 26 L C -0.787 176.112 176.870 0.049 0.000 1.124 26 L CA -0.490 54.366 54.840 0.026 0.000 0.816 26 L CB 0.968 43.027 42.059 -0.001 0.000 1.129 26 L HN -0.015 nan 8.230 nan 0.000 0.448 27 Q N 2.900 122.730 119.800 0.050 0.000 2.359 27 Q HA 0.568 4.907 4.340 -0.002 0.000 0.274 27 Q C -2.460 173.527 176.000 -0.023 0.000 1.074 27 Q CA -1.725 54.080 55.803 0.004 0.000 0.810 27 Q CB 2.943 31.674 28.738 -0.011 0.000 1.342 27 Q HN 0.657 nan 8.270 nan 0.000 0.427 28 P HA 0.279 nan 4.420 nan 0.000 0.274 28 P C -1.331 175.856 177.300 -0.189 0.000 1.237 28 P CA -0.369 62.453 63.100 -0.463 0.000 0.793 28 P CB 0.733 31.776 31.700 -1.096 0.000 0.977 29 A N 0.918 123.721 122.820 -0.028 0.000 2.363 29 A HA 0.479 4.798 4.320 -0.002 0.000 0.270 29 A C 1.150 178.793 177.584 0.100 0.000 1.121 29 A CA 0.143 52.233 52.037 0.088 0.000 0.800 29 A CB 0.055 19.155 19.000 0.167 0.000 1.052 29 A HN 0.656 nan 8.150 nan 0.000 0.493 30 Q N 0.941 120.774 119.800 0.056 0.000 2.356 30 Q HA 0.298 4.637 4.340 -0.002 0.000 0.205 30 Q C 0.861 176.887 176.000 0.044 0.000 0.901 30 Q CA 1.047 56.883 55.803 0.054 0.000 0.938 30 Q CB -0.493 28.263 28.738 0.030 0.000 1.081 30 Q HN 1.150 nan 8.270 nan 0.000 0.517 31 T N -3.235 111.342 114.554 0.039 0.000 2.945 31 T HA 0.818 5.167 4.350 -0.002 0.000 0.286 31 T C 0.412 175.106 174.700 -0.009 0.000 1.025 31 T CA -0.253 61.854 62.100 0.011 0.000 1.039 31 T CB 1.607 70.480 68.868 0.009 0.000 1.068 31 T HN 0.580 nan 8.240 nan 0.000 0.497 32 A N 0.951 123.746 122.820 -0.043 0.000 2.296 32 A HA 0.728 5.047 4.320 -0.002 0.000 0.264 32 A C 0.624 178.175 177.584 -0.055 0.000 1.097 32 A CA -0.497 51.492 52.037 -0.081 0.000 0.811 32 A CB -0.447 18.491 19.000 -0.103 0.000 1.072 32 A HN 1.442 nan 8.150 nan 0.000 0.495 33 A N -0.074 122.705 122.820 -0.069 0.000 2.301 33 A HA 0.479 4.798 4.320 -0.002 0.000 0.298 33 A C 1.004 178.542 177.584 -0.076 0.000 1.185 33 A CA -0.160 51.840 52.037 -0.061 0.000 0.830 33 A CB 0.485 19.450 19.000 -0.057 0.000 1.112 33 A HN 0.965 nan 8.150 nan 0.000 0.508 34 K N 2.048 122.396 120.400 -0.086 0.000 2.098 34 K HA -0.005 4.314 4.320 -0.002 0.000 0.203 34 K C -0.105 176.389 176.600 -0.177 0.000 1.051 34 K CA 0.812 57.042 56.287 -0.095 0.000 0.957 34 K CB -0.023 32.434 32.500 -0.071 0.000 0.738 34 K HN 0.784 nan 8.250 nan 0.000 0.447 35 N N 0.832 119.357 118.700 -0.290 0.000 2.370 35 N HA 0.319 5.058 4.740 -0.002 0.000 0.303 35 N C -1.141 174.137 175.510 -0.387 0.000 1.103 35 N CA -0.450 52.247 53.050 -0.587 0.000 0.848 35 N CB 1.965 39.823 38.487 -1.049 0.000 1.235 35 N HN 0.024 nan 8.380 nan 0.000 0.496 36 L N 1.824 122.803 121.223 -0.406 0.000 2.381 36 L HA 0.606 4.945 4.340 -0.002 0.000 0.274 36 L C -0.553 176.085 176.870 -0.386 0.000 0.988 36 L CA -0.557 54.132 54.840 -0.251 0.000 0.824 36 L CB 1.723 43.739 42.059 -0.072 0.000 1.263 36 L HN 0.332 nan 8.230 nan 0.000 0.410 37 I N 4.371 124.773 120.570 -0.280 0.000 2.498 37 I HA 0.472 4.641 4.170 -0.002 0.000 0.290 37 I C -0.799 175.083 176.117 -0.391 0.000 1.032 37 I CA -0.526 60.527 61.300 -0.412 0.000 1.073 37 I CB 2.839 40.627 38.000 -0.354 0.000 1.251 37 I HN 0.517 nan 8.210 nan 0.000 0.426 38 I N 6.005 126.294 120.570 -0.469 0.000 2.382 38 I HA 0.444 4.612 4.170 -0.002 0.000 0.286 38 I C -1.382 174.532 176.117 -0.338 0.000 1.002 38 I CA -0.414 60.767 61.300 -0.198 0.000 1.135 38 I CB 0.852 38.890 38.000 0.064 0.000 1.288 38 I HN 0.331 nan 8.210 nan 0.000 0.448 39 F N 8.052 127.997 119.950 -0.008 0.000 2.385 39 F HA 0.396 4.922 4.527 -0.002 0.000 0.360 39 F C -0.279 175.587 175.800 0.110 0.000 1.122 39 F CA -0.709 57.323 58.000 0.053 0.000 1.090 39 F CB 1.272 40.270 39.000 -0.005 0.000 1.150 39 F HN 0.245 nan 8.300 nan 0.000 0.472 40 L N 4.156 125.420 121.223 0.068 0.000 2.318 40 L HA 0.558 4.897 4.340 -0.002 0.000 0.277 40 L C -0.086 176.456 176.870 -0.547 0.000 1.008 40 L CA -0.165 54.543 54.840 -0.220 0.000 0.846 40 L CB 0.806 42.678 42.059 -0.311 0.000 1.220 40 L HN 0.691 nan 8.230 nan 0.000 0.423 41 G N 4.028 112.412 108.800 -0.693 0.000 2.457 41 G HA2 0.088 4.047 3.960 -0.002 0.000 0.316 41 G HA3 0.088 4.047 3.960 -0.002 0.000 0.316 41 G C -0.172 174.431 174.900 -0.494 0.000 1.030 41 G CA -0.379 44.073 45.100 -1.081 0.000 1.073 41 G HN 0.666 nan 8.290 nan 0.000 0.430 42 D N 2.227 122.387 120.400 -0.400 0.000 2.358 42 D HA 0.306 4.945 4.640 -0.002 0.000 0.258 42 D C 1.441 177.642 176.300 -0.166 0.000 1.223 42 D CA 1.273 55.135 54.000 -0.231 0.000 0.886 42 D CB 0.823 41.562 40.800 -0.102 0.000 1.120 42 D HN 0.729 nan 8.370 nan 0.000 0.482 43 G N 4.246 112.886 108.800 -0.267 0.000 2.162 43 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.260 43 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.260 43 G C 0.720 175.704 174.900 0.140 0.000 0.976 43 G CA 0.335 45.447 45.100 0.021 0.000 0.655 43 G HN 0.574 nan 8.290 nan 0.000 0.533 44 M N 2.293 121.879 119.600 -0.023 0.000 3.596 44 M HA 0.421 4.900 4.480 -0.002 0.000 0.219 44 M C 1.211 177.564 176.300 0.089 0.000 1.471 44 M CA 0.515 55.834 55.300 0.031 0.000 1.644 44 M CB -0.774 31.792 32.600 -0.057 0.000 1.083 44 M HN 0.293 nan 8.290 nan 0.000 0.579 45 G N 0.811 109.699 108.800 0.146 0.000 2.611 45 G HA2 0.240 4.199 3.960 -0.002 0.000 0.273 45 G HA3 0.240 4.199 3.960 -0.002 0.000 0.273 45 G C 0.773 175.769 174.900 0.159 0.000 1.305 45 G CA -0.728 44.457 45.100 0.141 0.000 1.010 45 G HN 0.389 nan 8.290 nan 0.000 0.509 46 V N 0.735 120.731 119.914 0.136 0.000 2.343 46 V HA -0.216 3.903 4.120 -0.002 0.000 0.247 46 V C 3.270 179.464 176.094 0.166 0.000 1.051 46 V CA 2.641 65.023 62.300 0.136 0.000 1.036 46 V CB -0.717 31.161 31.823 0.092 0.000 0.654 46 V HN 0.862 nan 8.190 nan 0.000 0.451 47 S N -0.374 115.439 115.700 0.188 0.000 2.383 47 S HA -0.249 4.220 4.470 -0.002 0.000 0.229 47 S C 1.923 176.750 174.600 0.378 0.000 1.030 47 S CA 1.991 60.330 58.200 0.231 0.000 1.002 47 S CB -0.931 62.375 63.200 0.176 0.000 0.829 47 S HN 0.585 nan 8.310 nan 0.000 0.467 48 T N 2.341 117.124 114.554 0.382 0.000 2.746 48 T HA -0.021 4.327 4.350 -0.002 0.000 0.267 48 T C 1.933 176.737 174.700 0.174 0.000 1.039 48 T CA 1.403 63.679 62.100 0.293 0.000 1.142 48 T CB -0.636 68.369 68.868 0.229 0.000 0.866 48 T HN 0.293 nan 8.240 nan 0.000 0.444 49 V N 1.666 121.675 119.914 0.158 0.000 2.255 49 V HA -0.207 3.912 4.120 -0.002 0.000 0.247 49 V C 2.807 178.953 176.094 0.087 0.000 1.051 49 V CA 2.185 64.555 62.300 0.117 0.000 1.018 49 V CB -1.201 30.726 31.823 0.173 0.000 0.641 49 V HN 0.529 nan 8.190 nan 0.000 0.445 50 T N 0.319 114.942 114.554 0.116 0.000 2.777 50 T HA -0.120 4.229 4.350 -0.002 0.000 0.266 50 T C 2.050 176.747 174.700 -0.006 0.000 1.040 50 T CA 1.537 63.689 62.100 0.088 0.000 1.141 50 T CB -0.450 68.511 68.868 0.154 0.000 0.868 50 T HN 0.560 nan 8.240 nan 0.000 0.444 51 A N 1.440 124.242 122.820 -0.030 0.000 1.933 51 A HA 0.174 4.493 4.320 -0.002 0.000 0.218 51 A C 2.618 180.107 177.584 -0.160 0.000 1.175 51 A CA 1.758 53.667 52.037 -0.213 0.000 0.628 51 A CB -1.015 17.959 19.000 -0.043 0.000 0.814 51 A HN 0.506 nan 8.150 nan 0.000 0.444 52 A N -0.427 122.356 122.820 -0.062 0.000 1.969 52 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 52 A C 2.234 179.771 177.584 -0.079 0.000 1.169 52 A CA 1.527 53.520 52.037 -0.074 0.000 0.635 52 A CB -0.480 18.496 19.000 -0.040 0.000 0.810 52 A HN 0.552 nan 8.150 nan 0.000 0.445 53 R N -0.189 120.277 120.500 -0.057 0.000 2.081 53 R HA -0.095 4.244 4.340 -0.002 0.000 0.235 53 R C 1.895 178.158 176.300 -0.060 0.000 1.131 53 R CA 1.779 57.850 56.100 -0.048 0.000 0.960 53 R CB -0.383 29.909 30.300 -0.013 0.000 0.856 53 R HN 0.537 nan 8.270 nan 0.000 0.436 54 I N 0.839 121.355 120.570 -0.090 0.000 2.179 54 I HA -0.296 3.873 4.170 -0.002 0.000 0.242 54 I C 2.369 178.413 176.117 -0.123 0.000 1.088 54 I CA 0.747 61.984 61.300 -0.105 0.000 1.357 54 I CB -0.267 37.630 38.000 -0.173 0.000 1.051 54 I HN 0.246 nan 8.210 nan 0.000 0.409 55 L N 1.200 122.323 121.223 -0.167 0.000 2.012 55 L HA -0.248 4.091 4.340 -0.002 0.000 0.210 55 L C 2.452 179.271 176.870 -0.084 0.000 1.073 55 L CA 1.974 56.728 54.840 -0.144 0.000 0.748 55 L CB -0.767 41.194 42.059 -0.164 0.000 0.891 55 L HN 0.106 nan 8.230 nan 0.000 0.431 56 K N -0.909 119.443 120.400 -0.079 0.000 2.063 56 K HA -0.151 4.168 4.320 -0.002 0.000 0.208 56 K C 1.987 178.558 176.600 -0.048 0.000 1.048 56 K CA 1.466 57.716 56.287 -0.063 0.000 0.928 56 K CB -0.667 31.793 32.500 -0.068 0.000 0.713 56 K HN 0.524 nan 8.250 nan 0.000 0.442 57 G N 0.596 109.370 108.800 -0.044 0.000 2.418 57 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.217 57 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.217 57 G C 1.272 176.158 174.900 -0.023 0.000 1.158 57 G CA 0.618 45.702 45.100 -0.027 0.000 0.771 57 G HN 0.427 nan 8.290 nan 0.000 0.545 58 Q N -0.122 119.660 119.800 -0.030 0.000 2.224 58 Q HA -0.032 4.307 4.340 -0.002 0.000 0.203 58 Q C 2.403 178.395 176.000 -0.013 0.000 0.970 58 Q CA 0.736 56.528 55.803 -0.020 0.000 0.865 58 Q CB -0.013 28.709 28.738 -0.026 0.000 0.922 58 Q HN 0.226 nan 8.270 nan 0.000 0.445 59 K N 1.093 121.481 120.400 -0.020 0.000 2.211 59 K HA 0.007 4.326 4.320 -0.002 0.000 0.203 59 K C 0.850 177.441 176.600 -0.015 0.000 1.050 59 K CA 0.852 57.130 56.287 -0.015 0.000 0.945 59 K CB 0.028 32.513 32.500 -0.025 0.000 0.732 59 K HN 0.199 nan 8.250 nan 0.000 0.451 60 K N 0.308 120.697 120.400 -0.018 0.000 2.583 60 K HA 0.133 4.452 4.320 -0.002 0.000 0.266 60 K C 0.706 177.300 176.600 -0.010 0.000 1.037 60 K CA 0.523 56.800 56.287 -0.016 0.000 0.996 60 K CB 0.175 32.663 32.500 -0.019 0.000 1.307 60 K HN 0.081 nan 8.250 nan 0.000 0.502 61 D N 0.383 120.778 120.400 -0.008 0.000 2.894 61 D HA 0.234 4.873 4.640 -0.002 0.000 0.248 61 D C 0.178 176.476 176.300 -0.003 0.000 1.291 61 D CA -0.138 53.859 54.000 -0.004 0.000 0.840 61 D CB -0.098 40.700 40.800 -0.004 0.000 1.044 61 D HN 0.404 nan 8.370 nan 0.000 0.484 62 K N -0.457 119.941 120.400 -0.004 0.000 2.267 62 K HA 0.798 5.117 4.320 -0.002 0.000 0.236 62 K C 1.104 177.706 176.600 0.002 0.000 1.030 62 K CA -0.459 55.828 56.287 0.000 0.000 0.930 62 K CB 0.237 32.739 32.500 0.002 0.000 1.182 62 K HN 0.166 nan 8.250 nan 0.000 0.474 63 L N -0.163 121.065 121.223 0.009 0.000 2.179 63 L HA 0.172 4.511 4.340 -0.002 0.000 0.208 63 L C 1.801 178.678 176.870 0.013 0.000 1.096 63 L CA 1.768 56.616 54.840 0.013 0.000 0.779 63 L CB 0.020 42.091 42.059 0.020 0.000 0.922 63 L HN 1.116 nan 8.230 nan 0.000 0.443 64 G N -1.099 107.710 108.800 0.015 0.000 1.828 64 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.128 64 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.128 64 G C -1.850 173.064 174.900 0.024 0.000 2.299 64 G CA 0.143 45.246 45.100 0.005 0.000 1.389 64 G HN 0.018 nan 8.290 nan 0.000 0.437 65 P HA -0.011 nan 4.420 nan 0.000 0.220 65 P C 1.417 178.772 177.300 0.092 0.000 1.148 65 P CA 1.897 65.043 63.100 0.077 0.000 0.803 65 P CB -0.110 31.654 31.700 0.108 0.000 0.782 66 E N -0.250 120.011 120.200 0.102 0.000 2.358 66 E HA -0.056 4.293 4.350 -0.002 0.000 0.195 66 E C 0.690 177.336 176.600 0.077 0.000 1.010 66 E CA 0.460 56.932 56.400 0.121 0.000 0.856 66 E CB -0.478 29.305 29.700 0.139 0.000 0.795 66 E HN 0.208 nan 8.360 nan 0.000 0.504 67 I N 3.830 124.429 120.570 0.047 0.000 2.325 67 I HA 0.259 4.428 4.170 -0.002 0.000 0.291 67 I C -2.275 173.848 176.117 0.010 0.000 1.019 67 I CA -2.965 58.348 61.300 0.021 0.000 1.302 67 I CB 0.523 38.526 38.000 0.004 0.000 1.401 67 I HN -0.187 nan 8.210 nan 0.000 0.485 68 P HA 0.239 nan 4.420 nan 0.000 0.271 68 P C -0.104 177.172 177.300 -0.040 0.000 1.216 68 P CA -0.316 62.780 63.100 -0.007 0.000 0.776 68 P CB 0.715 32.414 31.700 -0.002 0.000 0.881 69 L N 1.751 122.934 121.223 -0.067 0.000 2.466 69 L HA 0.226 4.565 4.340 -0.002 0.000 0.257 69 L C 1.890 178.676 176.870 -0.139 0.000 1.189 69 L CA -0.296 54.473 54.840 -0.119 0.000 0.813 69 L CB 0.202 42.157 42.059 -0.173 0.000 1.118 69 L HN 0.416 nan 8.230 nan 0.000 0.471 70 A N 2.628 125.346 122.820 -0.170 0.000 1.908 70 A HA -0.220 4.098 4.320 -0.002 0.000 0.218 70 A C 2.067 179.549 177.584 -0.169 0.000 1.181 70 A CA 2.112 54.062 52.037 -0.146 0.000 0.627 70 A CB -0.638 18.254 19.000 -0.181 0.000 0.818 70 A HN 0.898 nan 8.150 nan 0.000 0.445 71 M N -1.482 117.849 119.600 -0.449 0.000 2.279 71 M HA -0.097 4.382 4.480 -0.002 0.000 0.264 71 M C 0.625 176.543 176.300 -0.637 0.000 1.062 71 M CA 2.090 56.865 55.300 -0.874 0.000 1.099 71 M CB -0.773 31.038 32.600 -1.316 0.000 1.394 71 M HN 0.085 nan 8.290 nan 0.000 0.426 72 D N 1.570 121.781 120.400 -0.316 0.000 2.310 72 D HA -0.045 4.594 4.640 -0.002 0.000 0.212 72 D C 1.756 178.105 176.300 0.081 0.000 0.965 72 D CA 0.894 54.864 54.000 -0.051 0.000 0.879 72 D CB -0.221 40.574 40.800 -0.008 0.000 0.921 72 D HN 0.568 nan 8.370 nan 0.000 0.510 73 R N -0.313 120.248 120.500 0.101 0.000 2.313 73 R HA 0.068 4.407 4.340 -0.002 0.000 0.199 73 R C 0.141 176.552 176.300 0.186 0.000 0.958 73 R CA -0.239 55.929 56.100 0.113 0.000 1.047 73 R CB 0.028 30.353 30.300 0.042 0.000 0.955 73 R HN 0.019 nan 8.270 nan 0.000 0.481 74 F N 2.565 122.511 119.950 -0.006 0.000 2.538 74 F HA 0.075 4.601 4.527 -0.002 0.000 0.371 74 F C -0.884 174.924 175.800 0.012 0.000 1.087 74 F CA -2.314 55.709 58.000 0.039 0.000 1.250 74 F CB 0.469 39.553 39.000 0.139 0.000 1.110 74 F HN -0.101 nan 8.300 nan 0.000 0.570 75 P HA -0.155 nan 4.420 nan 0.000 0.217 75 P C -0.496 176.600 177.300 -0.340 0.000 1.151 75 P CA 1.471 64.391 63.100 -0.300 0.000 0.828 75 P CB 0.109 31.412 31.700 -0.662 0.000 0.788 76 Y N -0.682 119.749 120.300 0.218 0.000 2.341 76 Y HA 0.455 5.004 4.550 -0.002 0.000 0.337 76 Y C 0.418 176.415 175.900 0.161 0.000 1.014 76 Y CA -1.017 57.193 58.100 0.183 0.000 1.111 76 Y CB 1.577 40.153 38.460 0.193 0.000 1.194 76 Y HN -0.343 nan 8.280 nan 0.000 0.462 77 V N 2.523 122.566 119.914 0.215 0.000 2.823 77 V HA 0.949 5.068 4.120 -0.002 0.000 0.312 77 V C -0.491 175.604 176.094 0.002 0.000 1.072 77 V CA -0.810 61.497 62.300 0.012 0.000 0.937 77 V CB 1.878 33.641 31.823 -0.100 0.000 1.013 77 V HN 0.907 nan 8.190 nan 0.000 0.430 78 A N 3.693 126.464 122.820 -0.082 0.000 2.569 78 A HA 0.917 5.236 4.320 -0.002 0.000 0.290 78 A C -1.576 175.936 177.584 -0.121 0.000 1.136 78 A CA -0.646 51.336 52.037 -0.091 0.000 0.710 78 A CB 1.530 20.468 19.000 -0.104 0.000 1.303 78 A HN 0.700 nan 8.150 nan 0.000 0.413 79 L N 0.768 121.927 121.223 -0.107 0.000 2.334 79 L HA 0.667 5.006 4.340 -0.002 0.000 0.275 79 L C 0.338 177.173 176.870 -0.059 0.000 1.036 79 L CA -0.519 54.274 54.840 -0.078 0.000 0.807 79 L CB 1.915 43.939 42.059 -0.059 0.000 1.231 79 L HN 0.657 nan 8.230 nan 0.000 0.438 80 S N 2.177 117.866 115.700 -0.020 0.000 2.519 80 S HA 0.415 4.883 4.470 -0.002 0.000 0.309 80 S C -0.750 173.879 174.600 0.049 0.000 1.100 80 S CA -0.840 57.371 58.200 0.018 0.000 1.059 80 S CB 0.892 64.116 63.200 0.040 0.000 1.008 80 S HN 0.440 nan 8.310 nan 0.000 0.478 81 K N 3.136 123.577 120.400 0.068 0.000 2.248 81 K HA 0.264 4.583 4.320 -0.002 0.000 0.281 81 K C 0.670 177.336 176.600 0.110 0.000 1.054 81 K CA -0.355 56.007 56.287 0.125 0.000 0.903 81 K CB 0.979 33.594 32.500 0.193 0.000 1.077 81 K HN 0.717 nan 8.250 nan 0.000 0.474 82 T N -0.716 113.927 114.554 0.148 0.000 3.044 82 T HA -0.042 4.307 4.350 -0.002 0.000 0.250 82 T C 0.663 175.424 174.700 0.102 0.000 1.081 82 T CA -0.175 61.998 62.100 0.122 0.000 1.040 82 T CB -0.456 68.522 68.868 0.183 0.000 0.962 82 T HN 0.591 nan 8.240 nan 0.000 0.506 83 Y N 2.678 123.049 120.300 0.119 0.000 2.903 83 Y HA 0.233 4.782 4.550 -0.002 0.000 0.338 83 Y C 0.013 175.998 175.900 0.141 0.000 1.265 83 Y CA -1.658 56.526 58.100 0.139 0.000 1.532 83 Y CB -0.189 38.352 38.460 0.135 0.000 1.293 83 Y HN -0.143 nan 8.280 nan 0.000 0.609 84 N N 1.836 120.662 118.700 0.211 0.000 2.434 84 N HA 0.144 4.883 4.740 -0.002 0.000 0.266 84 N C 1.058 176.693 175.510 0.208 0.000 1.223 84 N CA -0.423 52.705 53.050 0.129 0.000 0.972 84 N CB 1.392 39.993 38.487 0.190 0.000 1.207 84 N HN 0.628 nan 8.380 nan 0.000 0.525 85 V N 0.506 120.505 119.914 0.141 0.000 2.287 85 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 85 V C 1.673 177.861 176.094 0.155 0.000 1.053 85 V CA 2.235 64.641 62.300 0.177 0.000 1.027 85 V CB -0.532 31.354 31.823 0.105 0.000 0.646 85 V HN 0.750 nan 8.190 nan 0.000 0.447 86 D N -0.927 119.530 120.400 0.096 0.000 2.354 86 D HA 0.004 4.643 4.640 -0.002 0.000 0.209 86 D C 0.674 176.942 176.300 -0.053 0.000 1.015 86 D CA 0.385 54.397 54.000 0.020 0.000 0.867 86 D CB 0.171 40.974 40.800 0.005 0.000 0.933 86 D HN 0.397 nan 8.370 nan 0.000 0.520 87 K N -0.682 119.715 120.400 -0.006 0.000 2.501 87 K HA 0.285 4.604 4.320 -0.002 0.000 0.252 87 K C -0.143 176.509 176.600 0.086 0.000 0.934 87 K CA -0.652 55.573 56.287 -0.103 0.000 0.797 87 K CB 1.909 34.240 32.500 -0.282 0.000 1.270 87 K HN -0.070 nan 8.250 nan 0.000 0.431 88 H N -0.232 118.856 119.070 0.031 0.000 2.462 88 H HA 0.008 4.563 4.556 -0.001 0.000 0.292 88 H C 0.328 175.723 175.328 0.111 0.000 1.049 88 H CA 0.335 56.431 56.048 0.081 0.000 1.334 88 H CB 0.550 30.324 29.762 0.019 0.000 1.404 88 H HN 0.018 nan 8.280 nan 0.000 0.544 89 V N 4.212 124.240 119.914 0.190 0.000 2.347 89 V HA 0.194 4.313 4.120 -0.002 0.000 0.280 89 V C -1.877 174.359 176.094 0.237 0.000 1.021 89 V CA -1.630 60.774 62.300 0.174 0.000 0.847 89 V CB 1.774 33.668 31.823 0.118 0.000 0.990 89 V HN 0.133 nan 8.190 nan 0.000 0.444 90 P HA 0.381 nan 4.420 nan 0.000 0.284 90 P C -1.282 176.172 177.300 0.256 0.000 1.287 90 P CA -0.354 62.938 63.100 0.320 0.000 0.824 90 P CB 1.806 33.641 31.700 0.224 0.000 1.180 91 D N -1.138 119.280 120.400 0.030 0.000 2.449 91 D HA 0.142 4.781 4.640 -0.002 0.000 0.250 91 D C 0.729 177.054 176.300 0.043 0.000 1.050 91 D CA -0.514 53.381 54.000 -0.174 0.000 1.024 91 D CB 1.216 41.413 40.800 -1.004 0.000 1.218 91 D HN 0.146 nan 8.370 nan 0.000 0.566 92 S N -0.402 115.386 115.700 0.146 0.000 2.383 92 S HA -0.001 4.468 4.470 -0.002 0.000 0.227 92 S C 1.824 176.457 174.600 0.055 0.000 1.026 92 S CA 1.186 59.504 58.200 0.197 0.000 0.981 92 S CB -0.566 62.774 63.200 0.233 0.000 0.818 92 S HN 0.714 nan 8.310 nan 0.000 0.472 93 G N 1.400 110.155 108.800 -0.074 0.000 2.453 93 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.215 93 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.215 93 G C 1.541 176.370 174.900 -0.117 0.000 1.201 93 G CA 0.929 45.950 45.100 -0.131 0.000 0.784 93 G HN 0.577 nan 8.290 nan 0.000 0.545 94 A N 0.514 123.277 122.820 -0.095 0.000 2.014 94 A HA 0.051 4.370 4.320 -0.002 0.000 0.218 94 A C 2.607 180.175 177.584 -0.028 0.000 1.163 94 A CA 2.474 54.481 52.037 -0.050 0.000 0.652 94 A CB -0.903 18.095 19.000 -0.004 0.000 0.808 94 A HN 0.520 nan 8.150 nan 0.000 0.449 95 T N -1.773 112.799 114.554 0.030 0.000 2.737 95 T HA 0.010 4.358 4.350 -0.002 0.000 0.265 95 T C 2.019 176.639 174.700 -0.134 0.000 1.038 95 T CA 1.571 63.732 62.100 0.103 0.000 1.144 95 T CB -0.748 68.305 68.868 0.309 0.000 0.866 95 T HN 0.557 nan 8.240 nan 0.000 0.434 96 A N 1.988 124.637 122.820 -0.285 0.000 1.917 96 A HA -0.133 4.186 4.320 -0.002 0.000 0.219 96 A C 2.643 179.884 177.584 -0.572 0.000 1.182 96 A CA 2.461 54.038 52.037 -0.767 0.000 0.633 96 A CB -1.704 17.079 19.000 -0.361 0.000 0.819 96 A HN 0.596 nan 8.150 nan 0.000 0.448 97 T N 0.291 114.674 114.554 -0.285 0.000 2.720 97 T HA -0.041 4.308 4.350 -0.002 0.000 0.268 97 T C 2.173 176.790 174.700 -0.139 0.000 1.037 97 T CA 1.672 63.662 62.100 -0.184 0.000 1.144 97 T CB -0.474 68.333 68.868 -0.101 0.000 0.864 97 T HN 0.638 nan 8.240 nan 0.000 0.444 98 A N 1.707 124.462 122.820 -0.107 0.000 1.855 98 A HA -0.060 4.259 4.320 -0.002 0.000 0.215 98 A C 2.172 179.792 177.584 0.060 0.000 1.191 98 A CA 1.709 53.746 52.037 0.000 0.000 0.613 98 A CB -1.028 17.994 19.000 0.036 0.000 0.829 98 A HN 0.766 nan 8.150 nan 0.000 0.442 99 Y N -1.359 118.998 120.300 0.095 0.000 2.561 99 Y HA 0.367 4.916 4.550 -0.001 0.000 0.291 99 Y C 1.377 177.358 175.900 0.136 0.000 1.141 99 Y CA 0.641 58.818 58.100 0.128 0.000 1.303 99 Y CB -0.387 38.160 38.460 0.146 0.000 1.015 99 Y HN 0.125 nan 8.280 nan 0.000 0.547 100 L N -1.612 119.542 121.223 -0.115 0.000 2.537 100 L HA 0.119 4.458 4.340 -0.002 0.000 0.224 100 L C 1.327 178.161 176.870 -0.059 0.000 1.065 100 L CA 0.192 55.024 54.840 -0.013 0.000 0.860 100 L CB 0.120 42.101 42.059 -0.131 0.000 1.086 100 L HN 0.238 nan 8.230 nan 0.000 0.482 101 C N -0.410 118.838 119.300 -0.087 0.000 3.019 101 C HA 0.441 4.899 4.460 -0.002 0.000 0.295 101 C C 1.653 176.607 174.990 -0.061 0.000 1.256 101 C CA 0.118 59.091 59.018 -0.075 0.000 1.706 101 C CB -0.083 27.620 27.740 -0.063 0.000 2.153 101 C HN 0.733 nan 8.230 nan 0.000 0.618 102 G N 1.119 109.919 108.800 -0.000 0.000 2.147 102 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.244 102 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.244 102 G C -0.197 174.831 174.900 0.213 0.000 1.005 102 G CA 0.461 45.632 45.100 0.118 0.000 0.713 102 G HN 0.467 nan 8.290 nan 0.000 0.515 103 V N 0.313 120.285 119.914 0.097 0.000 2.686 103 V HA 0.454 4.572 4.120 -0.002 0.000 0.306 103 V C 0.397 176.508 176.094 0.029 0.000 1.065 103 V CA -1.301 61.044 62.300 0.075 0.000 0.894 103 V CB 1.960 33.812 31.823 0.049 0.000 1.004 103 V HN 0.295 nan 8.190 nan 0.000 0.424 104 K N 2.090 122.499 120.400 0.014 0.000 2.237 104 K HA 0.626 4.944 4.320 -0.002 0.000 0.270 104 K C 0.372 176.972 176.600 0.000 0.000 1.015 104 K CA 0.007 56.282 56.287 -0.019 0.000 0.949 104 K CB 1.499 33.951 32.500 -0.081 0.000 0.976 104 K HN 0.908 nan 8.250 nan 0.000 0.472 105 G N 1.108 109.908 108.800 0.000 0.000 3.042 105 G HA2 0.257 4.216 3.960 -0.002 0.000 0.278 105 G HA3 0.257 4.216 3.960 -0.002 0.000 0.278 105 G C -0.975 173.952 174.900 0.044 0.000 1.371 105 G CA -0.693 44.417 45.100 0.016 0.000 1.009 105 G HN 0.474 nan 8.290 nan 0.000 0.523 106 N N -0.221 118.511 118.700 0.055 0.000 2.498 106 N HA 0.254 4.993 4.740 -0.002 0.000 0.287 106 N C -0.532 175.046 175.510 0.114 0.000 1.097 106 N CA -0.441 52.664 53.050 0.092 0.000 0.973 106 N CB 1.743 40.282 38.487 0.087 0.000 1.153 106 N HN 0.360 nan 8.380 nan 0.000 0.472 107 F N 2.003 121.920 119.950 -0.056 0.000 2.623 107 F HA -0.172 4.353 4.527 -0.002 0.000 0.386 107 F C 1.291 176.979 175.800 -0.186 0.000 1.068 107 F CA 1.106 59.041 58.000 -0.108 0.000 1.265 107 F CB 0.181 39.099 39.000 -0.136 0.000 1.026 107 F HN 0.630 nan 8.300 nan 0.000 0.568 108 Q N 1.029 120.595 119.800 -0.390 0.000 2.385 108 Q HA -0.217 4.122 4.340 -0.002 0.000 0.215 108 Q C 0.111 176.052 176.000 -0.097 0.000 0.671 108 Q CA 1.054 56.631 55.803 -0.377 0.000 1.335 108 Q CB -1.939 26.417 28.738 -0.637 0.000 1.425 108 Q HN 0.857 nan 8.270 nan 0.000 0.781 109 T N -1.790 112.732 114.554 -0.053 0.000 2.943 109 T HA 0.818 5.167 4.350 -0.002 0.000 0.284 109 T C 0.094 174.731 174.700 -0.105 0.000 1.015 109 T CA -0.814 61.257 62.100 -0.049 0.000 1.042 109 T CB 1.786 70.652 68.868 -0.003 0.000 1.055 109 T HN 0.229 nan 8.240 nan 0.000 0.500 110 I N 0.718 121.213 120.570 -0.125 0.000 2.533 110 I HA 0.546 4.715 4.170 -0.002 0.000 0.290 110 I C 1.063 177.107 176.117 -0.120 0.000 1.056 110 I CA -0.905 60.301 61.300 -0.157 0.000 1.057 110 I CB 1.839 39.702 38.000 -0.228 0.000 1.240 110 I HN 1.077 nan 8.210 nan 0.000 0.423 111 G N 5.243 113.977 108.800 -0.109 0.000 2.225 111 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.267 111 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.267 111 G C -0.363 174.616 174.900 0.132 0.000 1.024 111 G CA 0.137 45.238 45.100 0.002 0.000 0.784 111 G HN 0.468 nan 8.290 nan 0.000 0.507 112 L N 0.403 121.646 121.223 0.034 0.000 2.370 112 L HA 0.640 4.979 4.340 -0.002 0.000 0.266 112 L C 1.127 178.000 176.870 0.006 0.000 1.002 112 L CA -0.588 54.265 54.840 0.022 0.000 0.818 112 L CB 2.029 44.094 42.059 0.010 0.000 1.325 112 L HN 0.340 nan 8.230 nan 0.000 0.418 113 S N 1.124 116.825 115.700 0.001 0.000 2.606 113 S HA 0.240 4.708 4.470 -0.002 0.000 0.257 113 S C 1.008 175.616 174.600 0.014 0.000 1.327 113 S CA 0.097 58.302 58.200 0.007 0.000 0.984 113 S CB 1.100 64.303 63.200 0.004 0.000 0.941 113 S HN 0.726 nan 8.310 nan 0.000 0.576 114 A N -0.023 122.811 122.820 0.022 0.000 2.252 114 A HA 0.476 4.795 4.320 -0.002 0.000 0.207 114 A C 1.924 179.524 177.584 0.027 0.000 1.194 114 A CA 0.614 52.670 52.037 0.031 0.000 0.809 114 A CB -1.373 17.652 19.000 0.042 0.000 0.814 114 A HN 1.208 nan 8.150 nan 0.000 0.482 115 A N -0.469 122.362 122.820 0.018 0.000 2.123 115 A HA 0.540 4.858 4.320 -0.002 0.000 0.214 115 A C 1.431 179.022 177.584 0.012 0.000 1.152 115 A CA 0.778 52.824 52.037 0.014 0.000 0.728 115 A CB -0.448 18.556 19.000 0.008 0.000 0.814 115 A HN 0.857 nan 8.150 nan 0.000 0.464 116 A N 0.205 123.033 122.820 0.012 0.000 2.332 116 A HA 0.625 4.944 4.320 -0.002 0.000 0.258 116 A C 0.233 177.831 177.584 0.023 0.000 1.087 116 A CA -0.387 51.657 52.037 0.010 0.000 0.802 116 A CB 0.355 19.357 19.000 0.003 0.000 1.042 116 A HN 0.318 nan 8.150 nan 0.000 0.489 117 R N 0.309 120.820 120.500 0.019 0.000 2.621 117 R HA 0.272 4.611 4.340 -0.002 0.000 0.292 117 R C -1.084 175.238 176.300 0.037 0.000 0.969 117 R CA -0.662 55.464 56.100 0.044 0.000 0.887 117 R CB 1.307 31.627 30.300 0.033 0.000 1.180 117 R HN 0.699 nan 8.270 nan 0.000 0.450 118 F N 3.573 123.490 119.950 -0.055 0.000 2.604 118 F HA -0.170 4.357 4.527 -0.001 0.000 0.393 118 F C 1.134 176.868 175.800 -0.110 0.000 1.043 118 F CA 0.603 58.544 58.000 -0.098 0.000 1.227 118 F CB 0.138 39.105 39.000 -0.055 0.000 1.016 118 F HN 0.793 nan 8.300 nan 0.000 0.556 119 N N 2.905 120.915 118.700 -1.151 0.000 2.741 119 N HA -0.261 4.478 4.740 -0.002 0.000 0.250 119 N C -1.016 174.302 175.510 -0.321 0.000 1.115 119 N CA 1.386 53.881 53.050 -0.925 0.000 0.724 119 N CB -1.136 36.688 38.487 -1.105 0.000 1.090 119 N HN 0.829 nan 8.380 nan 0.000 0.558 120 Q N -0.472 119.213 119.800 -0.192 0.000 2.674 120 Q HA 0.264 4.603 4.340 -0.002 0.000 0.249 120 Q C 0.889 176.888 176.000 -0.001 0.000 1.011 120 Q CA -0.216 55.554 55.803 -0.054 0.000 0.734 120 Q CB 0.531 29.247 28.738 -0.037 0.000 1.201 120 Q HN 0.431 nan 8.270 nan 0.000 0.498 121 c N 2.703 121.353 118.600 0.084 0.000 2.403 121 c HA -0.181 4.388 4.570 -0.002 0.000 0.277 121 c C 1.916 176.039 174.090 0.054 0.000 1.248 121 c CA 1.876 58.280 56.329 0.124 0.000 1.762 121 c CB -0.541 42.061 42.510 0.154 0.000 2.014 121 c HN 0.914 nan 8.230 nan 0.000 0.486 122 N N 0.559 119.276 118.700 0.029 0.000 2.571 122 N HA -0.068 4.671 4.740 -0.002 0.000 0.189 122 N C 0.931 176.446 175.510 0.008 0.000 1.154 122 N CA 1.490 54.548 53.050 0.014 0.000 0.907 122 N CB -1.105 37.386 38.487 0.007 0.000 0.977 122 N HN 0.741 nan 8.380 nan 0.000 0.449 123 T N -6.026 108.532 114.554 0.006 0.000 3.129 123 T HA 0.226 4.575 4.350 -0.002 0.000 0.267 123 T C 0.992 175.692 174.700 -0.000 0.000 1.018 123 T CA -0.283 61.817 62.100 0.001 0.000 0.903 123 T CB -0.187 68.680 68.868 -0.001 0.000 1.067 123 T HN -0.023 nan 8.240 nan 0.000 0.549 124 T N 1.873 116.430 114.554 0.005 0.000 2.781 124 T HA 0.155 4.504 4.350 -0.002 0.000 0.252 124 T C 0.970 175.663 174.700 -0.011 0.000 1.039 124 T CA 0.419 62.522 62.100 0.005 0.000 1.147 124 T CB -0.080 68.805 68.868 0.028 0.000 0.865 124 T HN 0.369 nan 8.240 nan 0.000 0.423 125 R N 1.094 121.587 120.500 -0.011 0.000 2.489 125 R HA 0.383 4.721 4.340 -0.002 0.000 0.287 125 R C 1.303 177.585 176.300 -0.030 0.000 1.053 125 R CA 0.736 56.821 56.100 -0.025 0.000 1.036 125 R CB 0.199 30.488 30.300 -0.017 0.000 0.966 125 R HN 0.600 nan 8.270 nan 0.000 0.432 126 G N 2.682 111.455 108.800 -0.046 0.000 2.213 126 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.236 126 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.236 126 G C 0.407 175.278 174.900 -0.048 0.000 0.991 126 G CA 0.182 45.256 45.100 -0.043 0.000 0.629 126 G HN 0.719 nan 8.290 nan 0.000 0.517 127 N N 0.548 119.217 118.700 -0.052 0.000 2.203 127 N HA 0.317 5.055 4.740 -0.002 0.000 0.207 127 N C -0.145 175.321 175.510 -0.075 0.000 1.130 127 N CA -0.227 52.795 53.050 -0.047 0.000 0.861 127 N CB 0.447 38.920 38.487 -0.023 0.000 1.005 127 N HN 0.429 nan 8.380 nan 0.000 0.507 128 E N 1.233 121.343 120.200 -0.151 0.000 2.384 128 E HA 0.126 4.475 4.350 -0.002 0.000 0.266 128 E C -0.277 176.193 176.600 -0.216 0.000 1.012 128 E CA -0.165 56.052 56.400 -0.306 0.000 0.901 128 E CB 0.849 30.159 29.700 -0.650 0.000 0.967 128 E HN 0.014 nan 8.360 nan 0.000 0.435 129 V N 0.509 120.359 119.914 -0.106 0.000 2.604 129 V HA 0.494 4.613 4.120 -0.002 0.000 0.305 129 V C -0.390 175.746 176.094 0.069 0.000 1.043 129 V CA -1.149 61.133 62.300 -0.030 0.000 0.888 129 V CB 1.452 33.274 31.823 -0.003 0.000 0.995 129 V HN 0.410 nan 8.190 nan 0.000 0.429 130 I N 3.952 124.539 120.570 0.028 0.000 2.395 130 I HA 0.390 4.559 4.170 -0.002 0.000 0.289 130 I C 1.080 177.189 176.117 -0.014 0.000 1.023 130 I CA 0.345 61.678 61.300 0.055 0.000 1.350 130 I CB 1.347 39.348 38.000 0.001 0.000 1.409 130 I HN 1.058 nan 8.210 nan 0.000 0.507 131 S N 5.020 120.697 115.700 -0.037 0.000 2.600 131 S HA 0.153 4.622 4.470 -0.002 0.000 0.265 131 S C 1.130 175.638 174.600 -0.152 0.000 1.325 131 S CA -0.306 57.824 58.200 -0.116 0.000 1.002 131 S CB 1.605 64.703 63.200 -0.171 0.000 0.921 131 S HN 0.568 nan 8.310 nan 0.000 0.554 132 V N 2.532 122.336 119.914 -0.182 0.000 2.871 132 V HA -0.040 4.079 4.120 -0.002 0.000 0.256 132 V C 1.923 177.768 176.094 -0.416 0.000 1.082 132 V CA 1.911 64.096 62.300 -0.192 0.000 1.105 132 V CB -0.874 30.917 31.823 -0.053 0.000 0.713 132 V HN 0.981 nan 8.190 nan 0.000 0.473 133 M N 0.726 119.896 119.600 -0.716 0.000 2.132 133 M HA -0.166 4.313 4.480 -0.002 0.000 0.263 133 M C 2.054 178.155 176.300 -0.332 0.000 1.065 133 M CA 2.599 57.362 55.300 -0.895 0.000 1.122 133 M CB -0.464 31.581 32.600 -0.925 0.000 1.365 133 M HN 0.600 nan 8.290 nan 0.000 0.411 134 N N -0.040 118.540 118.700 -0.200 0.000 2.061 134 N HA -0.193 4.546 4.740 -0.002 0.000 0.193 134 N C 1.691 177.162 175.510 -0.066 0.000 1.030 134 N CA 1.768 54.768 53.050 -0.084 0.000 0.856 134 N CB 0.006 38.468 38.487 -0.042 0.000 1.023 134 N HN 0.323 nan 8.380 nan 0.000 0.424 135 R N -0.158 120.292 120.500 -0.084 0.000 2.092 135 R HA -0.033 4.306 4.340 -0.002 0.000 0.231 135 R C 2.182 178.462 176.300 -0.034 0.000 1.119 135 R CA 1.153 57.221 56.100 -0.053 0.000 0.970 135 R CB -0.400 29.866 30.300 -0.056 0.000 0.864 135 R HN 0.303 nan 8.270 nan 0.000 0.440 136 A N 1.531 124.321 122.820 -0.050 0.000 1.969 136 A HA -0.190 4.129 4.320 -0.002 0.000 0.218 136 A C 2.101 179.708 177.584 0.037 0.000 1.169 136 A CA 1.438 53.485 52.037 0.018 0.000 0.635 136 A CB -0.213 18.825 19.000 0.064 0.000 0.810 136 A HN 0.075 nan 8.150 nan 0.000 0.445 137 K N 0.678 121.088 120.400 0.017 0.000 2.025 137 K HA -0.118 4.201 4.320 -0.002 0.000 0.207 137 K C 1.996 178.614 176.600 0.030 0.000 1.049 137 K CA 2.022 58.333 56.287 0.040 0.000 0.933 137 K CB -0.319 32.202 32.500 0.036 0.000 0.714 137 K HN 0.433 nan 8.250 nan 0.000 0.438 138 K N -0.315 120.092 120.400 0.012 0.000 2.152 138 K HA -0.069 4.249 4.320 -0.002 0.000 0.206 138 K C 1.417 178.025 176.600 0.013 0.000 1.048 138 K CA 1.371 57.664 56.287 0.010 0.000 0.933 138 K CB -0.239 32.260 32.500 -0.001 0.000 0.721 138 K HN 0.193 nan 8.250 nan 0.000 0.447 139 A N 0.027 122.856 122.820 0.016 0.000 2.252 139 A HA 0.203 4.522 4.320 -0.002 0.000 0.207 139 A C 1.328 178.930 177.584 0.029 0.000 1.194 139 A CA 0.802 52.850 52.037 0.019 0.000 0.809 139 A CB -0.478 18.533 19.000 0.018 0.000 0.814 139 A HN 0.615 nan 8.150 nan 0.000 0.482 140 G N -0.776 108.047 108.800 0.038 0.000 2.175 140 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.244 140 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.244 140 G C 0.308 175.248 174.900 0.067 0.000 0.982 140 G CA 0.374 45.502 45.100 0.047 0.000 0.641 140 G HN 0.572 nan 8.290 nan 0.000 0.527 141 K N 0.914 121.362 120.400 0.080 0.000 2.219 141 K HA 0.505 4.824 4.320 -0.002 0.000 0.258 141 K C 0.502 177.193 176.600 0.151 0.000 1.008 141 K CA 0.061 56.419 56.287 0.119 0.000 0.928 141 K CB 0.628 33.207 32.500 0.132 0.000 0.983 141 K HN 0.160 nan 8.250 nan 0.000 0.484 142 S N 0.677 116.496 115.700 0.197 0.000 2.610 142 S HA 0.321 4.790 4.470 -0.002 0.000 0.273 142 S C -0.486 174.279 174.600 0.274 0.000 1.274 142 S CA -0.981 57.340 58.200 0.201 0.000 1.023 142 S CB 1.093 64.397 63.200 0.172 0.000 0.962 142 S HN 0.430 nan 8.310 nan 0.000 0.523 143 V N -0.371 119.693 119.914 0.250 0.000 2.789 143 V HA 1.036 5.155 4.120 -0.002 0.000 0.311 143 V C -0.082 176.180 176.094 0.279 0.000 1.073 143 V CA -0.649 61.840 62.300 0.315 0.000 0.921 143 V CB 1.417 33.394 31.823 0.255 0.000 1.009 143 V HN 0.915 nan 8.190 nan 0.000 0.426 144 G N 1.831 110.827 108.800 0.327 0.000 2.620 144 G HA2 0.674 4.633 3.960 -0.002 0.000 0.301 144 G HA3 0.674 4.633 3.960 -0.002 0.000 0.301 144 G C -1.653 173.435 174.900 0.314 0.000 1.347 144 G CA -0.832 44.419 45.100 0.251 0.000 0.971 144 G HN 1.143 nan 8.290 nan 0.000 0.488 145 V N 1.305 121.381 119.914 0.270 0.000 2.443 145 V HA 0.564 4.683 4.120 -0.002 0.000 0.293 145 V C -0.532 175.751 176.094 0.315 0.000 1.021 145 V CA -0.628 61.876 62.300 0.339 0.000 0.848 145 V CB 1.452 33.411 31.823 0.227 0.000 0.998 145 V HN 0.598 nan 8.190 nan 0.000 0.424 146 V N 3.901 124.050 119.914 0.391 0.000 2.588 146 V HA 0.849 4.968 4.120 -0.002 0.000 0.304 146 V C -0.147 176.127 176.094 0.299 0.000 1.042 146 V CA -0.190 62.275 62.300 0.274 0.000 0.877 146 V CB 2.148 34.080 31.823 0.181 0.000 0.996 146 V HN 0.940 nan 8.190 nan 0.000 0.425 147 T N 1.318 116.027 114.554 0.258 0.000 2.802 147 T HA 0.354 4.703 4.350 -0.002 0.000 0.311 147 T C 0.695 175.490 174.700 0.158 0.000 1.405 147 T CA 0.404 62.636 62.100 0.221 0.000 1.016 147 T CB 2.014 71.075 68.868 0.321 0.000 1.352 147 T HN 0.837 nan 8.240 nan 0.000 0.498 148 T N -0.526 114.080 114.554 0.085 0.000 3.065 148 T HA 0.236 4.585 4.350 -0.002 0.000 0.252 148 T C 1.158 175.866 174.700 0.014 0.000 1.099 148 T CA 0.776 62.903 62.100 0.045 0.000 1.063 148 T CB -0.496 68.367 68.868 -0.008 0.000 0.948 148 T HN 0.845 nan 8.240 nan 0.000 0.506 149 T N -0.019 114.542 114.554 0.012 0.000 2.852 149 T HA 0.506 4.855 4.350 -0.002 0.000 0.281 149 T C 0.225 174.989 174.700 0.108 0.000 0.993 149 T CA -1.112 60.977 62.100 -0.017 0.000 0.933 149 T CB 0.717 69.495 68.868 -0.151 0.000 1.187 149 T HN 0.201 nan 8.240 nan 0.000 0.559 150 R N 0.331 120.914 120.500 0.138 0.000 2.638 150 R HA 0.170 4.509 4.340 -0.002 0.000 0.268 150 R C 1.659 178.114 176.300 0.259 0.000 1.006 150 R CA 0.332 56.565 56.100 0.222 0.000 1.088 150 R CB 0.215 30.678 30.300 0.272 0.000 0.950 150 R HN 0.625 nan 8.270 nan 0.000 0.419 151 V N 0.100 120.153 119.914 0.231 0.000 3.380 151 V HA -0.111 4.008 4.120 -0.002 0.000 0.268 151 V C 0.899 177.164 176.094 0.286 0.000 1.168 151 V CA 1.026 63.464 62.300 0.229 0.000 1.156 151 V CB -0.225 31.682 31.823 0.140 0.000 0.785 151 V HN 0.671 nan 8.190 nan 0.000 0.487 152 Q N -0.745 119.229 119.800 0.289 0.000 2.319 152 Q HA 0.260 4.599 4.340 -0.002 0.000 0.202 152 Q C 0.780 176.962 176.000 0.303 0.000 0.896 152 Q CA 0.052 56.027 55.803 0.287 0.000 0.942 152 Q CB -0.214 28.658 28.738 0.223 0.000 1.083 152 Q HN 0.844 nan 8.270 nan 0.000 0.510 153 H N -0.323 118.902 119.070 0.258 0.000 2.703 153 H HA 0.245 4.800 4.556 -0.001 0.000 0.377 153 H C 1.239 176.652 175.328 0.142 0.000 1.392 153 H CA 0.624 56.848 56.048 0.294 0.000 1.458 153 H CB 0.804 30.721 29.762 0.258 0.000 1.529 153 H HN 0.135 nan 8.280 nan 0.000 0.619 154 A N 1.130 123.895 122.820 -0.091 0.000 1.883 154 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 154 A C 2.413 180.001 177.584 0.007 0.000 1.186 154 A CA 2.153 54.145 52.037 -0.075 0.000 0.624 154 A CB -1.001 17.947 19.000 -0.087 0.000 0.822 154 A HN 0.685 nan 8.150 nan 0.000 0.444 155 S N 0.304 116.118 115.700 0.188 0.000 2.345 155 S HA -0.080 4.389 4.470 -0.002 0.000 0.220 155 S C -0.189 174.393 174.600 -0.030 0.000 1.031 155 S CA 1.454 59.794 58.200 0.233 0.000 0.996 155 S CB -1.286 62.228 63.200 0.522 0.000 0.882 155 S HN 0.595 nan 8.310 nan 0.000 0.445 156 P HA -0.053 nan 4.420 nan 0.000 0.215 156 P C 1.349 178.403 177.300 -0.410 0.000 1.153 156 P CA 1.585 64.448 63.100 -0.397 0.000 0.853 156 P CB -0.207 31.532 31.700 0.065 0.000 0.788 157 A N 0.464 123.047 122.820 -0.394 0.000 1.978 157 A HA -0.102 4.217 4.320 -0.002 0.000 0.220 157 A C 2.590 179.666 177.584 -0.846 0.000 1.170 157 A CA 2.013 53.522 52.037 -0.880 0.000 0.636 157 A CB -1.976 16.727 19.000 -0.494 0.000 0.810 157 A HN 0.318 nan 8.150 nan 0.000 0.448 158 G N -0.553 107.939 108.800 -0.514 0.000 2.470 158 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.220 158 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.220 158 G C 1.584 176.230 174.900 -0.422 0.000 1.121 158 G CA 1.823 46.663 45.100 -0.433 0.000 0.766 158 G HN 0.718 nan 8.290 nan 0.000 0.553 159 T N -2.152 112.136 114.554 -0.443 0.000 3.023 159 T HA -0.002 4.347 4.350 -0.002 0.000 0.266 159 T C 1.858 176.448 174.700 -0.185 0.000 1.093 159 T CA 1.328 63.263 62.100 -0.276 0.000 1.129 159 T CB -0.313 68.449 68.868 -0.176 0.000 0.899 159 T HN 0.697 nan 8.240 nan 0.000 0.491 160 Y N -0.386 119.768 120.300 -0.244 0.000 2.459 160 Y HA 0.814 5.362 4.550 -0.002 0.000 0.271 160 Y C 0.641 176.338 175.900 -0.338 0.000 1.063 160 Y CA -1.060 56.905 58.100 -0.225 0.000 1.216 160 Y CB 0.032 38.409 38.460 -0.137 0.000 1.335 160 Y HN 0.322 nan 8.280 nan 0.000 0.550 161 A N 0.976 123.376 122.820 -0.701 0.000 2.299 161 A HA 0.781 5.100 4.320 -0.002 0.000 0.332 161 A C -1.653 175.490 177.584 -0.735 0.000 1.131 161 A CA -0.681 51.027 52.037 -0.548 0.000 0.844 161 A CB 0.357 19.067 19.000 -0.483 0.000 1.251 161 A HN 0.536 nan 8.150 nan 0.000 0.486 162 H N -0.646 118.374 119.070 -0.085 0.000 3.078 162 H HA 0.608 5.163 4.556 -0.002 0.000 0.319 162 H C -0.666 174.629 175.328 -0.055 0.000 0.995 162 H CA 0.016 56.020 56.048 -0.074 0.000 1.417 162 H CB 1.861 31.596 29.762 -0.044 0.000 1.598 162 H HN 0.681 nan 8.280 nan 0.000 0.515 163 T N 1.328 115.878 114.554 -0.007 0.000 2.932 163 T HA 0.181 4.530 4.350 -0.002 0.000 0.318 163 T C 0.758 175.379 174.700 -0.131 0.000 1.265 163 T CA -0.588 61.486 62.100 -0.043 0.000 1.036 163 T CB 1.158 69.989 68.868 -0.062 0.000 1.209 163 T HN 0.389 nan 8.240 nan 0.000 0.484 164 V N 1.383 121.181 119.914 -0.193 0.000 3.461 164 V HA 0.447 4.566 4.120 -0.002 0.000 0.267 164 V C 0.606 176.387 176.094 -0.522 0.000 1.186 164 V CA 0.565 62.703 62.300 -0.270 0.000 1.154 164 V CB -0.663 31.016 31.823 -0.240 0.000 0.802 164 V HN 0.684 nan 8.190 nan 0.000 0.474 165 N N 1.209 119.432 118.700 -0.796 0.000 2.594 165 N HA 0.249 4.988 4.740 -0.002 0.000 0.280 165 N C 1.036 176.117 175.510 -0.715 0.000 1.156 165 N CA -0.345 52.112 53.050 -0.989 0.000 0.831 165 N CB 1.771 38.991 38.487 -2.112 0.000 1.379 165 N HN 0.471 nan 8.380 nan 0.000 0.536 166 R N 1.933 122.196 120.500 -0.395 0.000 2.261 166 R HA -0.023 4.316 4.340 -0.002 0.000 0.236 166 R C 0.037 175.988 176.300 -0.581 0.000 1.141 166 R CA 1.073 56.927 56.100 -0.411 0.000 1.001 166 R CB -0.186 29.914 30.300 -0.334 0.000 0.866 166 R HN 0.292 nan 8.270 nan 0.000 0.468 167 N N -0.052 118.333 118.700 -0.525 0.000 2.461 167 N HA -0.049 4.690 4.740 -0.002 0.000 0.188 167 N C -0.610 174.673 175.510 -0.378 0.000 1.134 167 N CA 0.430 53.174 53.050 -0.509 0.000 0.878 167 N CB 0.168 38.570 38.487 -0.142 0.000 0.972 167 N HN 0.294 nan 8.380 nan 0.000 0.456 168 W N 1.383 122.394 121.300 -0.482 0.000 1.738 168 W HA 0.265 4.923 4.660 -0.003 0.000 0.399 168 W C 0.479 176.795 176.519 -0.339 0.000 0.744 168 W CA -1.376 55.785 57.345 -0.307 0.000 1.695 168 W CB -1.157 28.181 29.460 -0.203 0.000 1.820 168 W HN 0.047 nan 8.180 nan 0.000 0.262 169 Y N 0.568 120.822 120.300 -0.077 0.000 2.163 169 Y HA -0.172 4.377 4.550 -0.001 0.000 0.288 169 Y C 1.897 177.614 175.900 -0.305 0.000 1.136 169 Y CA 1.619 59.472 58.100 -0.411 0.000 1.147 169 Y CB -0.501 37.326 38.460 -1.056 0.000 0.987 169 Y HN 0.049 nan 8.280 nan 0.000 0.509 170 S N -0.953 114.769 115.700 0.038 0.000 2.709 170 S HA 0.207 4.676 4.470 -0.002 0.000 0.302 170 S C 0.495 175.117 174.600 0.038 0.000 1.127 170 S CA -0.308 57.956 58.200 0.106 0.000 0.905 170 S CB 1.672 65.031 63.200 0.264 0.000 1.151 170 S HN 0.300 nan 8.310 nan 0.000 0.510 171 D N 0.782 121.186 120.400 0.007 0.000 2.263 171 D HA -0.073 4.566 4.640 -0.002 0.000 0.208 171 D C 1.707 177.964 176.300 -0.072 0.000 0.971 171 D CA 1.332 55.292 54.000 -0.067 0.000 0.867 171 D CB -0.791 39.973 40.800 -0.061 0.000 0.929 171 D HN 0.647 nan 8.370 nan 0.000 0.492 172 A N 0.649 123.470 122.820 0.001 0.000 2.121 172 A HA -0.124 4.195 4.320 -0.002 0.000 0.218 172 A C 1.675 179.265 177.584 0.009 0.000 1.154 172 A CA 1.234 53.280 52.037 0.015 0.000 0.679 172 A CB -0.127 18.916 19.000 0.072 0.000 0.795 172 A HN 0.078 nan 8.150 nan 0.000 0.458 173 D N -0.718 119.687 120.400 0.008 0.000 2.346 173 D HA 0.109 4.748 4.640 -0.002 0.000 0.206 173 D C 0.086 176.283 176.300 -0.171 0.000 1.001 173 D CA 0.385 54.408 54.000 0.038 0.000 0.871 173 D CB 0.323 41.222 40.800 0.164 0.000 0.943 173 D HN 0.172 nan 8.370 nan 0.000 0.518 174 V N 3.399 123.060 119.914 -0.423 0.000 2.406 174 V HA 0.189 4.308 4.120 -0.002 0.000 0.272 174 V C -2.097 173.698 176.094 -0.498 0.000 1.043 174 V CA -1.622 60.139 62.300 -0.899 0.000 0.915 174 V CB 1.226 32.476 31.823 -0.954 0.000 0.988 174 V HN -0.116 nan 8.190 nan 0.000 0.466 175 P HA 0.076 nan 4.420 nan 0.000 0.267 175 P C 0.730 177.901 177.300 -0.215 0.000 1.200 175 P CA 0.136 63.114 63.100 -0.203 0.000 0.772 175 P CB 0.717 32.358 31.700 -0.099 0.000 0.855 176 A N 2.982 125.721 122.820 -0.134 0.000 1.917 176 A HA -0.238 4.081 4.320 -0.002 0.000 0.219 176 A C 2.226 179.744 177.584 -0.109 0.000 1.182 176 A CA 2.507 54.476 52.037 -0.114 0.000 0.633 176 A CB -1.764 17.192 19.000 -0.073 0.000 0.819 176 A HN 0.635 nan 8.150 nan 0.000 0.448 177 S N 0.023 115.669 115.700 -0.090 0.000 2.382 177 S HA 0.038 4.507 4.470 -0.002 0.000 0.228 177 S C 2.051 176.597 174.600 -0.091 0.000 1.027 177 S CA 1.391 59.548 58.200 -0.071 0.000 0.991 177 S CB -0.655 62.519 63.200 -0.044 0.000 0.823 177 S HN 0.963 nan 8.310 nan 0.000 0.469 178 A N 2.207 124.940 122.820 -0.145 0.000 1.968 178 A HA 0.075 4.394 4.320 -0.002 0.000 0.217 178 A C 2.402 179.852 177.584 -0.224 0.000 1.169 178 A CA 0.927 52.848 52.037 -0.194 0.000 0.638 178 A CB -0.502 18.271 19.000 -0.378 0.000 0.812 178 A HN 0.557 nan 8.150 nan 0.000 0.446 179 R N -0.425 119.931 120.500 -0.240 0.000 2.075 179 R HA -0.123 4.216 4.340 -0.002 0.000 0.232 179 R C 2.256 178.486 176.300 -0.116 0.000 1.126 179 R CA 1.410 57.396 56.100 -0.191 0.000 0.963 179 R CB -0.313 29.881 30.300 -0.178 0.000 0.858 179 R HN 0.575 nan 8.270 nan 0.000 0.435 180 Q N 0.860 120.602 119.800 -0.095 0.000 2.124 180 Q HA -0.157 4.182 4.340 -0.002 0.000 0.202 180 Q C 1.436 177.405 176.000 -0.052 0.000 0.977 180 Q CA 1.404 57.169 55.803 -0.064 0.000 0.850 180 Q CB -0.194 28.512 28.738 -0.053 0.000 0.901 180 Q HN 0.518 nan 8.270 nan 0.000 0.429 181 E N -0.172 119.995 120.200 -0.055 0.000 2.511 181 E HA 0.104 4.453 4.350 -0.002 0.000 0.196 181 E C 0.603 177.185 176.600 -0.029 0.000 1.066 181 E CA 0.350 56.730 56.400 -0.035 0.000 0.871 181 E CB 0.047 29.733 29.700 -0.024 0.000 0.863 181 E HN 0.557 nan 8.360 nan 0.000 0.520 182 G N 0.779 109.553 108.800 -0.043 0.000 2.157 182 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.239 182 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.239 182 G C 0.240 175.129 174.900 -0.018 0.000 0.982 182 G CA -0.152 44.930 45.100 -0.030 0.000 0.650 182 G HN 0.321 nan 8.290 nan 0.000 0.527 183 c N 2.571 121.154 118.600 -0.028 0.000 2.492 183 c HA 0.425 4.994 4.570 -0.002 0.000 0.362 183 c C 1.118 175.192 174.090 -0.025 0.000 1.207 183 c CA -0.363 55.983 56.329 0.028 0.000 1.626 183 c CB -0.864 41.725 42.510 0.132 0.000 2.239 183 c HN 0.547 nan 8.230 nan 0.000 0.547 184 Q N 2.140 121.953 119.800 0.022 0.000 2.332 184 Q HA 0.200 4.539 4.340 -0.002 0.000 0.263 184 Q C 0.334 176.359 176.000 0.043 0.000 0.979 184 Q CA 0.132 55.940 55.803 0.008 0.000 0.885 184 Q CB 0.885 29.640 28.738 0.028 0.000 1.218 184 Q HN 0.791 nan 8.270 nan 0.000 0.405 185 D N 0.518 120.918 120.400 -0.000 0.000 2.400 185 D HA -0.056 4.583 4.640 -0.002 0.000 0.238 185 D C 0.539 176.874 176.300 0.059 0.000 1.157 185 D CA -0.217 53.803 54.000 0.034 0.000 0.889 185 D CB 0.720 41.513 40.800 -0.011 0.000 1.199 185 D HN 0.471 nan 8.370 nan 0.000 0.436 186 I N 1.008 121.613 120.570 0.059 0.000 2.286 186 I HA -0.274 3.895 4.170 -0.002 0.000 0.248 186 I C 2.472 178.658 176.117 0.114 0.000 1.115 186 I CA 1.459 62.807 61.300 0.080 0.000 1.392 186 I CB -0.454 37.557 38.000 0.019 0.000 1.065 186 I HN 0.653 nan 8.210 nan 0.000 0.418 187 A N 0.294 123.152 122.820 0.063 0.000 1.930 187 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 187 A C 2.393 179.976 177.584 -0.002 0.000 1.175 187 A CA 2.278 54.338 52.037 0.038 0.000 0.627 187 A CB -0.965 18.070 19.000 0.057 0.000 0.815 187 A HN 0.370 nan 8.150 nan 0.000 0.443 188 T N 0.116 114.677 114.554 0.013 0.000 2.737 188 T HA -0.165 4.184 4.350 -0.002 0.000 0.265 188 T C 2.052 176.765 174.700 0.021 0.000 1.038 188 T CA 1.655 63.758 62.100 0.004 0.000 1.144 188 T CB -0.284 68.588 68.868 0.007 0.000 0.866 188 T HN 0.610 nan 8.240 nan 0.000 0.434 189 Q N 0.302 120.141 119.800 0.065 0.000 2.135 189 Q HA -0.089 4.250 4.340 -0.002 0.000 0.204 189 Q C 2.358 178.401 176.000 0.071 0.000 0.981 189 Q CA 1.012 56.882 55.803 0.110 0.000 0.856 189 Q CB -0.430 28.405 28.738 0.163 0.000 0.902 189 Q HN 0.344 nan 8.270 nan 0.000 0.425 190 L N 1.205 122.394 121.223 -0.057 0.000 2.079 190 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 190 L C 2.040 178.721 176.870 -0.315 0.000 1.081 190 L CA 1.668 56.180 54.840 -0.547 0.000 0.752 190 L CB -0.262 41.514 42.059 -0.472 0.000 0.896 190 L HN 0.352 nan 8.230 nan 0.000 0.433 191 I N -4.849 115.651 120.570 -0.116 0.000 3.427 191 I HA 0.104 4.273 4.170 -0.002 0.000 0.288 191 I C 2.125 178.304 176.117 0.104 0.000 1.249 191 I CA 0.928 62.270 61.300 0.070 0.000 1.421 191 I CB -0.088 37.980 38.000 0.113 0.000 1.086 191 I HN 0.185 nan 8.210 nan 0.000 0.448 192 S N 1.106 116.831 115.700 0.041 0.000 2.506 192 S HA 0.076 4.545 4.470 -0.002 0.000 0.230 192 S C 1.626 176.253 174.600 0.045 0.000 1.066 192 S CA 0.568 58.793 58.200 0.040 0.000 0.940 192 S CB -0.488 62.731 63.200 0.032 0.000 0.818 192 S HN 0.536 nan 8.310 nan 0.000 0.518 193 N N 0.937 119.672 118.700 0.059 0.000 2.120 193 N HA 0.021 4.760 4.740 -0.002 0.000 0.188 193 N C 0.674 176.224 175.510 0.066 0.000 1.024 193 N CA 1.401 54.498 53.050 0.080 0.000 0.852 193 N CB -0.094 38.464 38.487 0.118 0.000 1.003 193 N HN 0.565 nan 8.380 nan 0.000 0.424 194 M N -1.705 117.928 119.600 0.055 0.000 2.682 194 M HA 0.323 4.802 4.480 -0.002 0.000 0.272 194 M C -2.113 174.221 176.300 0.057 0.000 1.232 194 M CA -0.940 54.389 55.300 0.050 0.000 0.849 194 M CB 2.043 34.675 32.600 0.054 0.000 1.695 194 M HN -0.345 nan 8.290 nan 0.000 0.481 195 D N 1.668 122.100 120.400 0.053 0.000 2.343 195 D HA 0.542 5.181 4.640 -0.002 0.000 0.255 195 D C -1.325 175.051 176.300 0.126 0.000 1.187 195 D CA 0.150 54.192 54.000 0.071 0.000 0.875 195 D CB 0.462 41.284 40.800 0.035 0.000 1.136 195 D HN 0.578 nan 8.370 nan 0.000 0.469 196 I N 3.449 124.144 120.570 0.208 0.000 2.389 196 I HA 0.198 4.367 4.170 -0.002 0.000 0.288 196 I C 0.536 176.864 176.117 0.352 0.000 0.999 196 I CA -0.617 60.817 61.300 0.223 0.000 1.129 196 I CB 1.956 40.035 38.000 0.131 0.000 1.288 196 I HN 0.337 nan 8.210 nan 0.000 0.444 197 D N 3.708 124.290 120.400 0.303 0.000 2.123 197 D HA -0.024 4.615 4.640 -0.002 0.000 0.200 197 D C 0.058 176.556 176.300 0.330 0.000 0.976 197 D CA 1.377 55.583 54.000 0.344 0.000 0.831 197 D CB 0.294 41.220 40.800 0.211 0.000 0.974 197 D HN 0.161 nan 8.370 nan 0.000 0.469 198 V N 1.111 121.167 119.914 0.237 0.000 2.577 198 V HA 0.381 4.499 4.120 -0.002 0.000 0.303 198 V C -0.793 175.380 176.094 0.132 0.000 1.042 198 V CA -0.672 61.737 62.300 0.182 0.000 0.872 198 V CB 2.303 34.202 31.823 0.126 0.000 0.998 198 V HN 0.009 nan 8.190 nan 0.000 0.423 199 I N 6.239 126.844 120.570 0.059 0.000 2.439 199 I HA 0.530 4.699 4.170 -0.002 0.000 0.283 199 I C -1.046 175.082 176.117 0.017 0.000 1.023 199 I CA -0.263 61.030 61.300 -0.012 0.000 1.100 199 I CB 1.584 39.458 38.000 -0.211 0.000 1.238 199 I HN 0.324 nan 8.210 nan 0.000 0.445 200 L N 6.008 127.296 121.223 0.108 0.000 2.436 200 L HA 0.921 5.260 4.340 -0.002 0.000 0.268 200 L C 0.223 177.233 176.870 0.234 0.000 0.974 200 L CA -0.368 54.583 54.840 0.185 0.000 0.826 200 L CB 2.059 44.281 42.059 0.271 0.000 1.291 200 L HN 0.820 nan 8.230 nan 0.000 0.406 201 G N 1.604 110.560 108.800 0.260 0.000 2.441 201 G HA2 0.364 4.323 3.960 -0.002 0.000 0.222 201 G HA3 0.364 4.323 3.960 -0.002 0.000 0.222 201 G C -0.807 174.231 174.900 0.231 0.000 1.254 201 G CA -0.038 45.230 45.100 0.280 0.000 0.959 201 G HN 0.811 nan 8.290 nan 0.000 0.474 202 G N -1.959 106.955 108.800 0.190 0.000 2.583 202 G HA2 0.645 4.604 3.960 -0.002 0.000 0.280 202 G HA3 0.645 4.604 3.960 -0.002 0.000 0.280 202 G C 1.034 176.025 174.900 0.151 0.000 1.376 202 G CA 0.676 45.873 45.100 0.163 0.000 1.043 202 G HN 2.399 nan 8.290 nan 0.000 0.538 203 G N -1.432 107.453 108.800 0.141 0.000 2.141 203 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.195 203 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.195 203 G C 1.111 176.086 174.900 0.126 0.000 1.012 203 G CA 0.579 45.798 45.100 0.198 0.000 0.696 203 G HN 0.618 nan 8.290 nan 0.000 0.508 204 R N 0.506 121.063 120.500 0.095 0.000 2.096 204 R HA -0.086 4.253 4.340 -0.002 0.000 0.235 204 R C 2.781 179.172 176.300 0.151 0.000 1.127 204 R CA 1.729 57.935 56.100 0.177 0.000 0.968 204 R CB -0.263 30.176 30.300 0.232 0.000 0.861 204 R HN 0.686 nan 8.270 nan 0.000 0.440 205 K N -0.194 120.173 120.400 -0.055 0.000 2.209 205 K HA -0.171 4.148 4.320 -0.002 0.000 0.204 205 K C 1.250 177.776 176.600 -0.124 0.000 1.048 205 K CA 1.606 57.817 56.287 -0.126 0.000 0.940 205 K CB -0.321 31.986 32.500 -0.322 0.000 0.729 205 K HN 0.287 nan 8.250 nan 0.000 0.451 206 Y N 0.406 120.744 120.300 0.063 0.000 2.583 206 Y HA 0.088 4.637 4.550 -0.002 0.000 0.293 206 Y C 1.923 177.792 175.900 -0.053 0.000 1.157 206 Y CA -0.132 57.988 58.100 0.033 0.000 1.315 206 Y CB 0.106 38.603 38.460 0.061 0.000 1.021 206 Y HN 0.029 nan 8.280 nan 0.000 0.536 207 M N -1.006 118.558 119.600 -0.061 0.000 2.541 207 M HA 0.135 4.614 4.480 -0.002 0.000 0.252 207 M C -0.745 175.186 176.300 -0.615 0.000 1.125 207 M CA 0.624 55.672 55.300 -0.420 0.000 1.091 207 M CB -0.550 31.586 32.600 -0.773 0.000 1.420 207 M HN 0.004 nan 8.290 nan 0.000 0.486 208 F N 0.607 120.542 119.950 -0.025 0.000 2.577 208 F HA 0.467 4.993 4.527 -0.002 0.000 0.318 208 F C 0.761 176.544 175.800 -0.029 0.000 1.065 208 F CA -1.588 56.386 58.000 -0.043 0.000 0.929 208 F CB 0.924 39.883 39.000 -0.068 0.000 1.237 208 F HN -0.024 nan 8.300 nan 0.000 0.468 209 R N 1.731 122.332 120.500 0.167 0.000 2.694 209 R HA 0.375 4.714 4.340 -0.002 0.000 0.268 209 R C -0.048 176.286 176.300 0.056 0.000 1.061 209 R CA -0.668 55.479 56.100 0.080 0.000 1.133 209 R CB 0.575 30.904 30.300 0.047 0.000 1.020 209 R HN 0.847 nan 8.270 nan 0.000 0.475 210 M N 2.321 121.939 119.600 0.030 0.000 2.261 210 M HA 0.003 4.482 4.480 -0.002 0.000 0.350 210 M C 0.788 177.075 176.300 -0.021 0.000 1.343 210 M CA 2.460 57.764 55.300 0.006 0.000 1.003 210 M CB 0.266 32.868 32.600 0.004 0.000 1.848 210 M HN 1.075 nan 8.290 nan 0.000 0.456 211 G N 2.451 111.222 108.800 -0.049 0.000 2.238 211 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.217 211 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.217 211 G C 0.098 174.936 174.900 -0.103 0.000 0.996 211 G CA 0.107 45.153 45.100 -0.090 0.000 0.632 211 G HN 0.707 nan 8.290 nan 0.000 0.503 212 T N 4.170 118.675 114.554 -0.080 0.000 2.752 212 T HA 0.504 4.853 4.350 -0.002 0.000 0.295 212 T C -2.202 172.397 174.700 -0.168 0.000 0.923 212 T CA -0.468 61.552 62.100 -0.133 0.000 1.112 212 T CB 1.643 70.427 68.868 -0.140 0.000 0.884 212 T HN 0.192 nan 8.240 nan 0.000 0.525 213 P HA 0.177 nan 4.420 nan 0.000 0.271 213 P C -0.258 176.911 177.300 -0.219 0.000 1.216 213 P CA -0.448 62.563 63.100 -0.149 0.000 0.771 213 P CB 0.430 32.057 31.700 -0.123 0.000 0.864 214 D N 3.793 124.100 120.400 -0.156 0.000 2.382 214 D HA 0.051 4.690 4.640 -0.002 0.000 0.245 214 D C -1.095 175.017 176.300 -0.314 0.000 1.120 214 D CA -1.594 52.284 54.000 -0.204 0.000 0.890 214 D CB 0.596 41.380 40.800 -0.027 0.000 1.201 214 D HN 0.222 nan 8.370 nan 0.000 0.433 215 P HA -0.127 nan 4.420 nan 0.000 0.219 215 P C 0.770 177.566 177.300 -0.840 0.000 1.150 215 P CA 1.048 63.642 63.100 -0.844 0.000 0.814 215 P CB 0.238 30.992 31.700 -1.577 0.000 0.787 216 E N -1.446 118.327 120.200 -0.712 0.000 2.276 216 E HA -0.035 4.314 4.350 -0.002 0.000 0.193 216 E C -0.037 176.160 176.600 -0.672 0.000 0.983 216 E CA 0.219 56.274 56.400 -0.575 0.000 0.861 216 E CB 0.234 29.681 29.700 -0.421 0.000 0.817 216 E HN 0.229 nan 8.360 nan 0.000 0.485 217 Y N 0.055 120.293 120.300 -0.104 0.000 2.470 217 Y HA 0.284 4.833 4.550 -0.002 0.000 0.352 217 Y C -2.017 173.850 175.900 -0.055 0.000 0.967 217 Y CA -1.887 56.180 58.100 -0.054 0.000 1.121 217 Y CB 1.238 39.677 38.460 -0.034 0.000 1.149 217 Y HN 0.086 nan 8.280 nan 0.000 0.641 218 P HA -0.126 nan 4.420 nan 0.000 0.226 218 P C 0.438 177.798 177.300 0.099 0.000 1.153 218 P CA 1.372 64.483 63.100 0.018 0.000 0.777 218 P CB 0.411 32.088 31.700 -0.039 0.000 0.794 219 D N -1.091 119.360 120.400 0.085 0.000 2.358 219 D HA 0.046 4.685 4.640 -0.002 0.000 0.224 219 D C -0.297 175.990 176.300 -0.022 0.000 1.123 219 D CA -0.157 53.874 54.000 0.051 0.000 0.833 219 D CB -0.535 40.277 40.800 0.019 0.000 0.946 219 D HN 0.003 nan 8.370 nan 0.000 0.505 220 D N 0.151 120.585 120.400 0.056 0.000 2.389 220 D HA 0.046 4.685 4.640 -0.002 0.000 0.256 220 D C 0.317 176.685 176.300 0.113 0.000 1.239 220 D CA -0.694 53.299 54.000 -0.013 0.000 0.925 220 D CB 0.370 41.162 40.800 -0.013 0.000 1.145 220 D HN -0.221 nan 8.370 nan 0.000 0.542 221 Y N 1.425 121.711 120.300 -0.023 0.000 2.256 221 Y HA -0.171 4.378 4.550 -0.002 0.000 0.288 221 Y C 2.555 178.432 175.900 -0.038 0.000 1.155 221 Y CA 1.167 59.249 58.100 -0.029 0.000 1.203 221 Y CB -1.209 37.236 38.460 -0.024 0.000 0.980 221 Y HN 0.430 nan 8.280 nan 0.000 0.530 222 S N -0.462 115.295 115.700 0.095 0.000 2.500 222 S HA -0.138 4.331 4.470 -0.002 0.000 0.239 222 S C 1.364 175.954 174.600 -0.016 0.000 0.989 222 S CA 0.793 59.008 58.200 0.025 0.000 0.951 222 S CB -0.239 62.954 63.200 -0.012 0.000 0.759 222 S HN 0.411 nan 8.310 nan 0.000 0.523 223 Q N 1.093 120.882 119.800 -0.018 0.000 2.360 223 Q HA 0.334 4.673 4.340 -0.002 0.000 0.202 223 Q C 1.110 177.094 176.000 -0.027 0.000 0.915 223 Q CA 0.427 56.200 55.803 -0.050 0.000 0.943 223 Q CB -0.127 28.578 28.738 -0.055 0.000 1.064 223 Q HN 0.637 nan 8.270 nan 0.000 0.511 224 G N 0.127 108.923 108.800 -0.007 0.000 2.588 224 G HA2 0.389 4.348 3.960 -0.002 0.000 0.278 224 G HA3 0.389 4.348 3.960 -0.002 0.000 0.278 224 G C 0.125 175.010 174.900 -0.025 0.000 1.307 224 G CA -0.112 44.971 45.100 -0.027 0.000 1.016 224 G HN 0.193 nan 8.290 nan 0.000 0.503 225 G N -1.639 107.157 108.800 -0.005 0.000 2.414 225 G HA2 0.348 4.307 3.960 -0.002 0.000 0.236 225 G HA3 0.348 4.307 3.960 -0.002 0.000 0.236 225 G C 1.050 175.972 174.900 0.037 0.000 1.293 225 G CA 0.685 45.822 45.100 0.061 0.000 0.869 225 G HN 1.009 nan 8.290 nan 0.000 0.556 226 T N -0.653 113.935 114.554 0.055 0.000 3.001 226 T HA 0.188 4.537 4.350 -0.002 0.000 0.251 226 T C 1.058 175.806 174.700 0.080 0.000 1.040 226 T CA -0.348 61.793 62.100 0.069 0.000 0.985 226 T CB 0.208 69.150 68.868 0.124 0.000 1.011 226 T HN 0.475 nan 8.240 nan 0.000 0.509 227 R N 0.657 121.203 120.500 0.077 0.000 2.643 227 R HA 0.307 4.646 4.340 -0.002 0.000 0.270 227 R C 0.315 176.633 176.300 0.030 0.000 1.061 227 R CA -0.492 55.641 56.100 0.055 0.000 1.107 227 R CB 0.503 30.828 30.300 0.041 0.000 0.999 227 R HN 0.078 nan 8.270 nan 0.000 0.460 228 L N 1.900 123.131 121.223 0.014 0.000 2.513 228 L HA -0.021 4.318 4.340 -0.002 0.000 0.222 228 L C 1.205 178.070 176.870 -0.008 0.000 1.096 228 L CA 1.314 56.153 54.840 -0.001 0.000 0.857 228 L CB -0.391 41.660 42.059 -0.013 0.000 1.026 228 L HN 0.668 nan 8.230 nan 0.000 0.469 229 D N -1.644 118.750 120.400 -0.009 0.000 2.325 229 D HA 0.134 4.773 4.640 -0.002 0.000 0.225 229 D C 1.564 177.859 176.300 -0.008 0.000 1.096 229 D CA 0.562 54.553 54.000 -0.014 0.000 0.844 229 D CB -0.136 40.651 40.800 -0.021 0.000 0.925 229 D HN 0.172 nan 8.370 nan 0.000 0.513 230 G N 0.377 109.177 108.800 -0.000 0.000 2.196 230 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.268 230 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.268 230 G C 0.273 175.178 174.900 0.009 0.000 0.975 230 G CA 0.523 45.626 45.100 0.005 0.000 0.648 230 G HN 0.484 nan 8.290 nan 0.000 0.538 231 K N 0.127 120.527 120.400 0.001 0.000 2.202 231 K HA 0.338 4.657 4.320 -0.002 0.000 0.264 231 K C -0.047 176.546 176.600 -0.011 0.000 1.010 231 K CA -0.472 55.809 56.287 -0.010 0.000 0.940 231 K CB 0.503 32.987 32.500 -0.027 0.000 0.983 231 K HN 0.130 nan 8.250 nan 0.000 0.475 232 N N 3.234 121.920 118.700 -0.024 0.000 2.626 232 N HA 0.122 4.861 4.740 -0.002 0.000 0.242 232 N C 0.293 175.714 175.510 -0.149 0.000 1.005 232 N CA -0.155 52.860 53.050 -0.059 0.000 0.905 232 N CB 0.522 39.048 38.487 0.066 0.000 1.128 232 N HN 0.538 nan 8.380 nan 0.000 0.512 233 L N 1.965 123.033 121.223 -0.258 0.000 2.291 233 L HA -0.033 4.306 4.340 -0.002 0.000 0.214 233 L C 1.879 178.623 176.870 -0.210 0.000 1.120 233 L CA 0.499 55.220 54.840 -0.198 0.000 0.799 233 L CB 0.001 41.941 42.059 -0.199 0.000 0.925 233 L HN 0.306 nan 8.230 nan 0.000 0.446 234 V N -0.542 119.130 119.914 -0.403 0.000 2.307 234 V HA -0.233 3.886 4.120 -0.002 0.000 0.245 234 V C 2.562 178.621 176.094 -0.059 0.000 1.045 234 V CA 1.453 63.561 62.300 -0.320 0.000 1.024 234 V CB -0.416 31.007 31.823 -0.667 0.000 0.651 234 V HN 0.460 nan 8.190 nan 0.000 0.449 235 Q N 0.022 119.784 119.800 -0.063 0.000 2.084 235 Q HA -0.231 4.108 4.340 -0.002 0.000 0.202 235 Q C 2.159 178.177 176.000 0.030 0.000 0.978 235 Q CA 1.627 57.440 55.803 0.018 0.000 0.844 235 Q CB -0.423 28.331 28.738 0.026 0.000 0.898 235 Q HN 0.714 nan 8.270 nan 0.000 0.426 236 E N -0.507 119.703 120.200 0.016 0.000 2.160 236 E HA -0.201 4.148 4.350 -0.002 0.000 0.195 236 E C 1.687 178.322 176.600 0.058 0.000 0.991 236 E CA 0.833 57.245 56.400 0.020 0.000 0.810 236 E CB -0.216 29.488 29.700 0.006 0.000 0.742 236 E HN 0.399 nan 8.360 nan 0.000 0.466 237 W N 1.358 122.597 121.300 -0.102 0.000 2.407 237 W HA -0.062 4.597 4.660 -0.002 0.000 0.305 237 W C 1.823 178.293 176.519 -0.082 0.000 1.196 237 W CA 0.957 58.243 57.345 -0.098 0.000 1.311 237 W CB -0.233 29.163 29.460 -0.107 0.000 1.135 237 W HN -0.078 nan 8.180 nan 0.000 0.514 238 L N 0.556 121.861 121.223 0.137 0.000 2.079 238 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 238 L C 2.641 179.446 176.870 -0.109 0.000 1.081 238 L CA 1.469 56.311 54.840 0.002 0.000 0.752 238 L CB -1.285 40.856 42.059 0.138 0.000 0.896 238 L HN 0.100 nan 8.230 nan 0.000 0.433 239 A N -0.267 122.512 122.820 -0.068 0.000 2.019 239 A HA -0.206 4.113 4.320 -0.002 0.000 0.219 239 A C 2.197 179.706 177.584 -0.125 0.000 1.164 239 A CA 1.475 53.467 52.037 -0.075 0.000 0.644 239 A CB -0.287 18.688 19.000 -0.041 0.000 0.805 239 A HN 0.281 nan 8.150 nan 0.000 0.449 240 K N -0.838 119.446 120.400 -0.193 0.000 2.487 240 K HA 0.095 4.414 4.320 -0.002 0.000 0.192 240 K C 0.036 176.466 176.600 -0.283 0.000 1.027 240 K CA 0.243 56.401 56.287 -0.216 0.000 1.054 240 K CB 0.115 32.475 32.500 -0.234 0.000 0.824 240 K HN 0.388 nan 8.250 nan 0.000 0.510 241 R N 0.236 120.532 120.500 -0.339 0.000 2.686 241 R HA 0.255 4.594 4.340 -0.002 0.000 0.286 241 R C -0.771 175.431 176.300 -0.164 0.000 0.969 241 R CA -0.708 55.172 56.100 -0.367 0.000 0.898 241 R CB 1.830 31.684 30.300 -0.743 0.000 1.183 241 R HN -0.016 nan 8.270 nan 0.000 0.456 242 Q N 0.614 120.380 119.800 -0.057 0.000 2.256 242 Q HA 0.254 4.593 4.340 -0.002 0.000 0.254 242 Q C 0.568 176.619 176.000 0.085 0.000 0.916 242 Q CA 0.354 56.163 55.803 0.011 0.000 0.932 242 Q CB 1.743 30.490 28.738 0.016 0.000 1.207 242 Q HN 0.991 nan 8.270 nan 0.000 0.426 243 G N 1.690 110.531 108.800 0.069 0.000 2.147 243 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.244 243 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.244 243 G C 0.074 175.059 174.900 0.142 0.000 1.005 243 G CA 0.115 45.265 45.100 0.083 0.000 0.713 243 G HN 0.779 nan 8.290 nan 0.000 0.515 244 A N -0.615 122.282 122.820 0.129 0.000 2.304 244 A HA 0.921 5.239 4.320 -0.002 0.000 0.301 244 A C 0.349 178.048 177.584 0.192 0.000 1.132 244 A CA 0.069 52.194 52.037 0.147 0.000 0.819 244 A CB 0.955 19.887 19.000 -0.113 0.000 1.094 244 A HN 0.908 nan 8.150 nan 0.000 0.492 245 R N 0.428 121.097 120.500 0.283 0.000 2.686 245 R HA 0.513 4.852 4.340 -0.002 0.000 0.283 245 R C -1.938 174.581 176.300 0.364 0.000 0.978 245 R CA -0.490 55.769 56.100 0.264 0.000 0.897 245 R CB 1.229 31.631 30.300 0.171 0.000 1.192 245 R HN 0.759 nan 8.270 nan 0.000 0.457 246 Y N 4.944 125.365 120.300 0.201 0.000 2.341 246 Y HA 0.600 5.149 4.550 -0.002 0.000 0.337 246 Y C -1.124 174.851 175.900 0.126 0.000 1.014 246 Y CA -0.628 57.569 58.100 0.161 0.000 1.111 246 Y CB 1.408 39.980 38.460 0.187 0.000 1.194 246 Y HN 0.417 nan 8.280 nan 0.000 0.462 247 V N 4.184 123.744 119.914 -0.589 0.000 2.962 247 V HA 0.509 4.628 4.120 -0.002 0.000 0.313 247 V C -0.756 174.905 176.094 -0.723 0.000 1.099 247 V CA -0.778 61.215 62.300 -0.511 0.000 0.971 247 V CB 2.038 33.740 31.823 -0.202 0.000 1.028 247 V HN 1.066 nan 8.190 nan 0.000 0.430 248 W N 2.661 123.685 121.300 -0.460 0.000 2.324 248 W HA 0.412 5.071 4.660 -0.001 0.000 0.316 248 W C -0.291 176.270 176.519 0.070 0.000 0.927 248 W CA 0.351 57.487 57.345 -0.347 0.000 1.438 248 W CB -0.491 28.840 29.460 -0.215 0.000 1.085 248 W HN 0.867 nan 8.180 nan 0.000 0.532 249 N N 0.120 118.670 118.700 -0.249 0.000 2.571 249 N HA 0.273 5.012 4.740 -0.002 0.000 0.273 249 N C 0.575 176.068 175.510 -0.028 0.000 1.340 249 N CA -0.743 52.230 53.050 -0.129 0.000 0.789 249 N CB 1.313 39.391 38.487 -0.681 0.000 1.514 249 N HN -0.157 nan 8.380 nan 0.000 0.499 250 R N -0.658 119.755 120.500 -0.146 0.000 2.073 250 R HA -0.145 4.194 4.340 -0.002 0.000 0.234 250 R C 1.108 177.323 176.300 -0.141 0.000 1.134 250 R CA 2.631 58.609 56.100 -0.203 0.000 0.952 250 R CB -0.843 29.335 30.300 -0.204 0.000 0.850 250 R HN 0.862 nan 8.270 nan 0.000 0.433 251 T N -0.724 113.741 114.554 -0.149 0.000 2.746 251 T HA -0.086 4.263 4.350 -0.002 0.000 0.267 251 T C 1.577 176.211 174.700 -0.110 0.000 1.039 251 T CA 1.135 63.161 62.100 -0.123 0.000 1.142 251 T CB -0.225 68.568 68.868 -0.126 0.000 0.866 251 T HN 0.244 nan 8.240 nan 0.000 0.444 252 E N 0.999 121.113 120.200 -0.144 0.000 2.152 252 E HA 0.065 4.413 4.350 -0.002 0.000 0.192 252 E C 2.169 178.742 176.600 -0.046 0.000 0.983 252 E CA 0.413 56.746 56.400 -0.112 0.000 0.818 252 E CB -0.509 29.079 29.700 -0.187 0.000 0.758 252 E HN 0.428 nan 8.360 nan 0.000 0.467 253 L N 0.713 121.936 121.223 -0.001 0.000 1.989 253 L HA -0.171 4.168 4.340 -0.002 0.000 0.211 253 L C 2.092 178.970 176.870 0.013 0.000 1.071 253 L CA 1.705 56.585 54.840 0.066 0.000 0.749 253 L CB -0.468 41.663 42.059 0.121 0.000 0.890 253 L HN 0.018 nan 8.230 nan 0.000 0.431 254 M N -0.888 118.696 119.600 -0.028 0.000 2.175 254 M HA -0.169 4.310 4.480 -0.002 0.000 0.264 254 M C 2.252 178.538 176.300 -0.023 0.000 1.063 254 M CA 1.542 56.823 55.300 -0.032 0.000 1.119 254 M CB -1.396 31.173 32.600 -0.051 0.000 1.377 254 M HN 0.439 nan 8.290 nan 0.000 0.415 255 Q N 0.019 119.803 119.800 -0.027 0.000 2.050 255 Q HA -0.068 4.271 4.340 -0.002 0.000 0.202 255 Q C 2.287 178.283 176.000 -0.007 0.000 0.980 255 Q CA 1.692 57.483 55.803 -0.020 0.000 0.840 255 Q CB -0.406 28.317 28.738 -0.026 0.000 0.898 255 Q HN 0.573 nan 8.270 nan 0.000 0.424 256 A N 1.535 124.356 122.820 0.001 0.000 1.940 256 A HA -0.236 4.083 4.320 -0.002 0.000 0.219 256 A C 2.291 179.886 177.584 0.017 0.000 1.176 256 A CA 1.977 54.025 52.037 0.018 0.000 0.631 256 A CB -0.760 18.262 19.000 0.035 0.000 0.814 256 A HN 0.479 nan 8.150 nan 0.000 0.446 257 S N -0.501 115.207 115.700 0.013 0.000 2.447 257 S HA 0.034 4.503 4.470 -0.002 0.000 0.233 257 S C 1.519 176.116 174.600 -0.005 0.000 1.006 257 S CA 1.203 59.407 58.200 0.006 0.000 0.957 257 S CB -0.465 62.736 63.200 0.002 0.000 0.773 257 S HN 0.450 nan 8.310 nan 0.000 0.507 258 L N 0.927 122.147 121.223 -0.006 0.000 2.592 258 L HA 0.297 4.636 4.340 -0.002 0.000 0.227 258 L C 0.315 177.182 176.870 -0.005 0.000 1.127 258 L CA 0.090 54.925 54.840 -0.008 0.000 0.884 258 L CB -0.050 42.003 42.059 -0.010 0.000 1.065 258 L HN 0.246 nan 8.230 nan 0.000 0.457 259 D N 1.993 122.392 120.400 -0.002 0.000 2.412 259 D HA 0.213 4.852 4.640 -0.002 0.000 0.224 259 D C -2.263 174.036 176.300 -0.002 0.000 1.093 259 D CA -2.123 51.877 54.000 0.000 0.000 0.850 259 D CB 1.563 42.367 40.800 0.007 0.000 1.046 259 D HN -0.095 nan 8.370 nan 0.000 0.507 260 P HA 0.049 nan 4.420 nan 0.000 0.272 260 P C 0.402 177.698 177.300 -0.007 0.000 1.223 260 P CA 0.255 63.349 63.100 -0.009 0.000 0.784 260 P CB 1.297 32.992 31.700 -0.007 0.000 0.923 261 S N -0.437 115.256 115.700 -0.012 0.000 1.493 261 S HA -0.180 4.289 4.470 -0.002 0.000 0.248 261 S C 1.003 175.602 174.600 -0.002 0.000 0.805 261 S CA 0.914 59.112 58.200 -0.004 0.000 1.194 261 S CB -2.278 60.925 63.200 0.006 0.000 1.385 261 S HN 0.139 nan 8.310 nan 0.000 0.507 262 V N 2.870 122.783 119.914 -0.001 0.000 2.261 262 V HA 0.099 4.218 4.120 -0.002 0.000 0.235 262 V C 2.648 178.715 176.094 -0.044 0.000 1.044 262 V CA 3.668 65.975 62.300 0.010 0.000 1.007 262 V CB -1.385 30.459 31.823 0.034 0.000 0.647 262 V HN 1.915 nan 8.190 nan 0.000 0.462 263 T N -2.690 111.804 114.554 -0.101 0.000 11.472 263 T HA -0.291 4.058 4.350 -0.002 0.000 0.387 263 T C 0.211 174.622 174.700 -0.483 0.000 1.670 263 T CA 1.317 63.242 62.100 -0.292 0.000 2.698 263 T CB -1.573 67.060 68.868 -0.393 0.000 2.581 263 T HN 0.667 nan 8.240 nan 0.000 0.809 264 H N 0.647 119.762 119.070 0.075 0.000 2.782 264 H HA 0.786 5.341 4.556 -0.002 0.000 0.347 264 H C -1.091 174.412 175.328 0.292 0.000 1.038 264 H CA -0.579 55.559 56.048 0.151 0.000 1.255 264 H CB 1.719 31.472 29.762 -0.015 0.000 1.623 264 H HN 0.459 nan 8.280 nan 0.000 0.525 265 L N 3.734 125.247 121.223 0.483 0.000 2.439 265 L HA 0.431 4.770 4.340 -0.002 0.000 0.270 265 L C -1.066 175.949 176.870 0.242 0.000 0.972 265 L CA -0.461 54.590 54.840 0.352 0.000 0.836 265 L CB 1.933 44.105 42.059 0.190 0.000 1.255 265 L HN 0.675 nan 8.230 nan 0.000 0.404 266 M N 4.488 124.176 119.600 0.145 0.000 2.114 266 M HA 0.715 5.194 4.480 -0.002 0.000 0.332 266 M C -0.571 175.682 176.300 -0.079 0.000 1.014 266 M CA -0.369 54.848 55.300 -0.138 0.000 0.956 266 M CB 1.176 33.458 32.600 -0.531 0.000 1.551 266 M HN 0.814 nan 8.290 nan 0.000 0.427 267 G N 5.815 114.502 108.800 -0.188 0.000 2.605 267 G HA2 0.590 4.549 3.960 -0.002 0.000 0.304 267 G HA3 0.590 4.549 3.960 -0.002 0.000 0.304 267 G C -1.674 172.713 174.900 -0.854 0.000 1.333 267 G CA -0.380 44.392 45.100 -0.548 0.000 0.973 267 G HN 0.534 nan 8.290 nan 0.000 0.507 268 L N 3.223 123.958 121.223 -0.812 0.000 2.353 268 L HA 0.476 4.815 4.340 -0.002 0.000 0.270 268 L C 0.243 176.878 176.870 -0.393 0.000 1.003 268 L CA -0.992 53.607 54.840 -0.401 0.000 0.862 268 L CB 0.815 42.895 42.059 0.037 0.000 1.221 268 L HN 0.605 nan 8.230 nan 0.000 0.430 269 F N 0.096 120.134 119.950 0.148 0.000 2.754 269 F HA 0.246 4.772 4.527 -0.002 0.000 0.297 269 F C 1.031 176.949 175.800 0.196 0.000 1.122 269 F CA 0.160 58.257 58.000 0.160 0.000 1.400 269 F CB 0.581 39.640 39.000 0.097 0.000 1.117 269 F HN 0.349 nan 8.300 nan 0.000 0.587 270 E N -0.939 119.429 120.200 0.281 0.000 2.413 270 E HA 0.221 4.570 4.350 -0.002 0.000 0.277 270 E C -2.045 174.649 176.600 0.155 0.000 0.958 270 E CA -1.762 54.791 56.400 0.254 0.000 0.779 270 E CB 1.709 31.534 29.700 0.208 0.000 1.278 270 E HN -0.271 nan 8.360 nan 0.000 0.456 271 P HA -0.095 nan 4.420 nan 0.000 0.215 271 P C 0.565 177.810 177.300 -0.092 0.000 1.157 271 P CA 1.525 64.624 63.100 -0.003 0.000 0.868 271 P CB 0.433 32.107 31.700 -0.043 0.000 0.788 272 G N -1.396 107.372 108.800 -0.054 0.000 3.414 272 G HA2 0.178 4.137 3.960 -0.002 0.000 0.189 272 G HA3 0.178 4.137 3.960 -0.002 0.000 0.189 272 G C -0.642 174.284 174.900 0.042 0.000 1.329 272 G CA -0.214 44.864 45.100 -0.036 0.000 0.851 272 G HN -0.063 nan 8.290 nan 0.000 0.671 273 D N 0.745 121.164 120.400 0.031 0.000 2.357 273 D HA 0.271 4.910 4.640 -0.002 0.000 0.242 273 D C 0.637 176.957 176.300 0.033 0.000 1.153 273 D CA 0.242 54.262 54.000 0.034 0.000 0.918 273 D CB 0.945 41.754 40.800 0.015 0.000 1.181 273 D HN 0.084 nan 8.370 nan 0.000 0.435 274 M N 0.601 120.226 119.600 0.042 0.000 2.226 274 M HA 0.073 4.552 4.480 -0.002 0.000 0.324 274 M C 0.909 177.206 176.300 -0.005 0.000 1.112 274 M CA 0.156 55.492 55.300 0.061 0.000 1.176 274 M CB 0.559 33.213 32.600 0.090 0.000 1.430 274 M HN -0.038 nan 8.290 nan 0.000 0.462 275 K N 0.861 121.292 120.400 0.052 0.000 2.319 275 K HA 0.120 4.438 4.320 -0.002 0.000 0.265 275 K C -0.967 175.664 176.600 0.052 0.000 1.000 275 K CA 0.033 56.364 56.287 0.072 0.000 0.943 275 K CB 0.369 32.970 32.500 0.168 0.000 0.950 275 K HN 0.403 nan 8.250 nan 0.000 0.485 276 Y N 1.095 121.454 120.300 0.099 0.000 2.550 276 Y HA -0.167 4.382 4.550 -0.002 0.000 0.343 276 Y C 1.793 177.669 175.900 -0.040 0.000 1.245 276 Y CA 0.052 58.142 58.100 -0.017 0.000 1.462 276 Y CB 0.510 38.895 38.460 -0.126 0.000 1.340 276 Y HN 0.725 nan 8.280 nan 0.000 0.604 277 E N 2.215 122.487 120.200 0.120 0.000 2.130 277 E HA -0.245 4.104 4.350 -0.002 0.000 0.196 277 E C 1.563 178.178 176.600 0.025 0.000 0.998 277 E CA 2.164 58.595 56.400 0.051 0.000 0.806 277 E CB -0.428 29.285 29.700 0.022 0.000 0.738 277 E HN 0.698 nan 8.360 nan 0.000 0.459 278 I N -2.544 118.001 120.570 -0.042 0.000 2.916 278 I HA -0.108 4.060 4.170 -0.002 0.000 0.267 278 I C 1.202 177.315 176.117 -0.006 0.000 1.263 278 I CA 1.444 62.704 61.300 -0.067 0.000 1.471 278 I CB -0.454 37.473 38.000 -0.122 0.000 1.089 278 I HN 0.104 nan 8.210 nan 0.000 0.468 279 H N 0.268 119.414 119.070 0.126 0.000 2.755 279 H HA 0.315 4.870 4.556 -0.002 0.000 0.273 279 H C 0.668 176.051 175.328 0.091 0.000 1.055 279 H CA -0.693 55.421 56.048 0.109 0.000 1.191 279 H CB 0.442 30.289 29.762 0.143 0.000 1.536 279 H HN 0.196 nan 8.280 nan 0.000 0.529 280 R N 2.392 122.997 120.500 0.175 0.000 2.538 280 R HA -0.072 4.267 4.340 -0.002 0.000 0.282 280 R C -0.514 175.841 176.300 0.091 0.000 1.009 280 R CA -0.023 56.146 56.100 0.116 0.000 1.063 280 R CB 0.313 30.652 30.300 0.065 0.000 0.945 280 R HN 0.139 nan 8.270 nan 0.000 0.414 281 D N 2.742 123.193 120.400 0.085 0.000 2.365 281 D HA -0.010 4.629 4.640 -0.002 0.000 0.237 281 D C 0.557 176.871 176.300 0.023 0.000 1.190 281 D CA -0.019 54.017 54.000 0.059 0.000 0.867 281 D CB 1.094 41.937 40.800 0.071 0.000 1.050 281 D HN 0.635 nan 8.370 nan 0.000 0.491 282 S N 1.594 117.300 115.700 0.010 0.000 2.555 282 S HA -0.138 4.331 4.470 -0.002 0.000 0.230 282 S C 1.627 176.208 174.600 -0.031 0.000 0.978 282 S CA 1.081 59.272 58.200 -0.015 0.000 0.934 282 S CB -0.301 62.892 63.200 -0.012 0.000 0.766 282 S HN 0.552 nan 8.310 nan 0.000 0.533 283 T N -0.246 114.294 114.554 -0.022 0.000 2.976 283 T HA 0.273 4.622 4.350 -0.002 0.000 0.257 283 T C 1.628 176.295 174.700 -0.055 0.000 1.051 283 T CA 0.082 62.160 62.100 -0.037 0.000 1.141 283 T CB -0.259 68.595 68.868 -0.023 0.000 0.881 283 T HN 0.251 nan 8.240 nan 0.000 0.461 284 L N 0.798 122.001 121.223 -0.034 0.000 2.354 284 L HA 0.392 4.731 4.340 -0.002 0.000 0.212 284 L C -0.220 176.625 176.870 -0.042 0.000 1.091 284 L CA 0.964 55.783 54.840 -0.035 0.000 0.828 284 L CB -0.631 41.445 42.059 0.028 0.000 0.973 284 L HN 0.326 nan 8.230 nan 0.000 0.461 285 D N 0.373 120.740 120.400 -0.054 0.000 2.481 285 D HA 0.328 4.967 4.640 -0.002 0.000 0.244 285 D C -2.386 173.784 176.300 -0.218 0.000 1.057 285 D CA -1.323 52.602 54.000 -0.126 0.000 0.848 285 D CB 2.344 43.132 40.800 -0.019 0.000 1.388 285 D HN -0.039 nan 8.370 nan 0.000 0.475 286 P HA 0.148 nan 4.420 nan 0.000 0.282 286 P C -0.439 176.730 177.300 -0.217 0.000 1.249 286 P CA -0.581 62.314 63.100 -0.343 0.000 0.806 286 P CB 1.270 32.650 31.700 -0.534 0.000 0.984 287 S N 2.764 118.386 115.700 -0.129 0.000 2.617 287 S HA 0.113 4.582 4.470 -0.002 0.000 0.259 287 S C 1.565 176.132 174.600 -0.055 0.000 1.301 287 S CA -0.722 57.437 58.200 -0.069 0.000 0.984 287 S CB -0.055 63.118 63.200 -0.045 0.000 0.954 287 S HN 0.475 nan 8.310 nan 0.000 0.572 288 L N 0.260 121.477 121.223 -0.010 0.000 2.042 288 L HA -0.137 4.202 4.340 -0.002 0.000 0.210 288 L C 2.620 179.503 176.870 0.022 0.000 1.076 288 L CA 1.896 56.752 54.840 0.027 0.000 0.749 288 L CB -0.376 41.724 42.059 0.068 0.000 0.893 288 L HN 0.892 nan 8.230 nan 0.000 0.432 289 M N -0.556 119.045 119.600 0.001 0.000 2.175 289 M HA -0.254 4.225 4.480 -0.002 0.000 0.264 289 M C 1.884 178.175 176.300 -0.015 0.000 1.063 289 M CA 1.768 57.063 55.300 -0.007 0.000 1.119 289 M CB 0.002 32.587 32.600 -0.025 0.000 1.377 289 M HN 0.213 nan 8.290 nan 0.000 0.415 290 E N -0.064 120.113 120.200 -0.039 0.000 2.072 290 E HA -0.163 4.186 4.350 -0.002 0.000 0.190 290 E C 2.006 178.577 176.600 -0.048 0.000 0.982 290 E CA 1.574 57.941 56.400 -0.055 0.000 0.803 290 E CB -0.117 29.529 29.700 -0.091 0.000 0.755 290 E HN 0.575 nan 8.360 nan 0.000 0.453 291 M N 0.343 119.914 119.600 -0.047 0.000 2.080 291 M HA -0.183 4.295 4.480 -0.002 0.000 0.260 291 M C 2.742 179.061 176.300 0.033 0.000 1.068 291 M CA 1.826 57.127 55.300 0.002 0.000 1.109 291 M CB -0.686 31.936 32.600 0.037 0.000 1.342 291 M HN 0.192 nan 8.290 nan 0.000 0.405 292 T N -0.599 113.977 114.554 0.037 0.000 2.821 292 T HA -0.205 4.144 4.350 -0.002 0.000 0.267 292 T C 1.576 176.284 174.700 0.014 0.000 1.046 292 T CA 1.872 63.998 62.100 0.044 0.000 1.139 292 T CB -0.164 68.756 68.868 0.087 0.000 0.871 292 T HN 0.524 nan 8.240 nan 0.000 0.454 293 E N 0.364 120.566 120.200 0.003 0.000 2.077 293 E HA -0.024 4.325 4.350 -0.002 0.000 0.193 293 E C 2.415 179.001 176.600 -0.023 0.000 0.989 293 E CA 1.044 57.437 56.400 -0.012 0.000 0.800 293 E CB -0.570 29.121 29.700 -0.015 0.000 0.746 293 E HN 0.647 nan 8.360 nan 0.000 0.452 294 A N 1.305 124.117 122.820 -0.014 0.000 1.883 294 A HA -0.164 4.154 4.320 -0.002 0.000 0.217 294 A C 2.462 180.040 177.584 -0.010 0.000 1.186 294 A CA 2.069 54.103 52.037 -0.006 0.000 0.624 294 A CB -1.054 17.953 19.000 0.012 0.000 0.822 294 A HN 0.444 nan 8.150 nan 0.000 0.444 295 A N -0.758 122.059 122.820 -0.005 0.000 1.883 295 A HA -0.062 4.257 4.320 -0.002 0.000 0.217 295 A C 2.016 179.524 177.584 -0.127 0.000 1.186 295 A CA 1.794 53.813 52.037 -0.029 0.000 0.624 295 A CB -0.545 18.457 19.000 0.003 0.000 0.822 295 A HN 0.397 nan 8.150 nan 0.000 0.444 296 L N -0.396 120.734 121.223 -0.155 0.000 2.083 296 L HA -0.083 4.256 4.340 -0.002 0.000 0.209 296 L C 2.527 179.286 176.870 -0.186 0.000 1.083 296 L CA 1.668 56.354 54.840 -0.258 0.000 0.752 296 L CB -1.257 40.708 42.059 -0.157 0.000 0.899 296 L HN 0.390 nan 8.230 nan 0.000 0.433 297 R N -0.946 119.495 120.500 -0.099 0.000 2.091 297 R HA -0.191 4.148 4.340 -0.002 0.000 0.238 297 R C 2.278 178.537 176.300 -0.067 0.000 1.136 297 R CA 1.427 57.489 56.100 -0.064 0.000 0.959 297 R CB -0.388 29.890 30.300 -0.037 0.000 0.856 297 R HN 0.279 nan 8.270 nan 0.000 0.437 298 L N 0.462 121.643 121.223 -0.071 0.000 2.068 298 L HA -0.088 4.251 4.340 -0.002 0.000 0.204 298 L C 1.989 178.809 176.870 -0.083 0.000 1.076 298 L CA 1.126 55.930 54.840 -0.060 0.000 0.753 298 L CB -0.028 42.013 42.059 -0.030 0.000 0.910 298 L HN 0.188 nan 8.230 nan 0.000 0.439 299 L N -0.527 120.596 121.223 -0.166 0.000 2.141 299 L HA -0.156 4.183 4.340 -0.002 0.000 0.209 299 L C 2.700 179.479 176.870 -0.151 0.000 1.094 299 L CA 1.306 56.016 54.840 -0.217 0.000 0.763 299 L CB -0.575 41.172 42.059 -0.519 0.000 0.908 299 L HN 0.437 nan 8.230 nan 0.000 0.437 300 S N -0.565 115.023 115.700 -0.186 0.000 2.481 300 S HA -0.105 4.364 4.470 -0.002 0.000 0.231 300 S C 1.924 176.561 174.600 0.062 0.000 0.996 300 S CA 0.298 58.507 58.200 0.014 0.000 0.942 300 S CB -0.296 62.902 63.200 -0.003 0.000 0.768 300 S HN 0.397 nan 8.310 nan 0.000 0.520 301 R N 1.599 122.111 120.500 0.020 0.000 2.148 301 R HA 0.071 4.410 4.340 -0.002 0.000 0.227 301 R C 0.804 177.132 176.300 0.047 0.000 1.103 301 R CA 0.715 56.830 56.100 0.025 0.000 0.983 301 R CB -0.559 29.741 30.300 -0.000 0.000 0.874 301 R HN 0.577 nan 8.270 nan 0.000 0.451 302 N N 1.968 120.710 118.700 0.071 0.000 2.452 302 N HA -0.013 4.726 4.740 -0.002 0.000 0.266 302 N C -1.575 173.987 175.510 0.086 0.000 1.209 302 N CA -1.176 51.921 53.050 0.079 0.000 0.929 302 N CB 1.042 39.595 38.487 0.109 0.000 1.063 302 N HN -0.092 nan 8.380 nan 0.000 0.472 303 P HA -0.138 nan 4.420 nan 0.000 0.222 303 P C 0.522 177.853 177.300 0.051 0.000 1.147 303 P CA 1.150 64.281 63.100 0.051 0.000 0.790 303 P CB 0.237 31.959 31.700 0.035 0.000 0.780 304 R N -0.624 119.909 120.500 0.055 0.000 2.299 304 R HA 0.266 4.605 4.340 -0.002 0.000 0.197 304 R C 1.094 177.422 176.300 0.047 0.000 0.971 304 R CA 0.560 56.687 56.100 0.045 0.000 1.030 304 R CB -0.162 30.166 30.300 0.046 0.000 0.932 304 R HN 0.239 nan 8.270 nan 0.000 0.477 305 G N 0.536 109.385 108.800 0.082 0.000 2.685 305 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.387 305 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.387 305 G C -0.611 174.391 174.900 0.169 0.000 1.324 305 G CA -0.365 44.776 45.100 0.068 0.000 0.878 305 G HN 0.248 nan 8.290 nan 0.000 0.527 306 F N -2.622 117.372 119.950 0.074 0.000 2.664 306 F HA 0.863 5.388 4.527 -0.002 0.000 0.317 306 F C -0.958 174.928 175.800 0.144 0.000 1.108 306 F CA -2.038 56.027 58.000 0.108 0.000 0.957 306 F CB 1.589 40.639 39.000 0.083 0.000 1.365 306 F HN 0.854 nan 8.300 nan 0.000 0.475 307 F N 3.180 123.299 119.950 0.281 0.000 2.482 307 F HA 0.800 5.326 4.527 -0.002 0.000 0.331 307 F C -1.861 174.155 175.800 0.360 0.000 1.115 307 F CA -1.255 56.868 58.000 0.206 0.000 0.955 307 F CB 1.752 40.834 39.000 0.137 0.000 1.136 307 F HN 0.688 nan 8.300 nan 0.000 0.452 308 L N 8.043 129.093 121.223 -0.289 0.000 2.438 308 L HA 0.529 4.868 4.340 -0.002 0.000 0.270 308 L C -2.168 174.552 176.870 -0.250 0.000 0.972 308 L CA -0.621 54.200 54.840 -0.032 0.000 0.831 308 L CB 1.523 43.641 42.059 0.098 0.000 1.273 308 L HN 0.574 nan 8.230 nan 0.000 0.405 309 F N 5.996 125.917 119.950 -0.048 0.000 2.415 309 F HA 0.778 5.304 4.527 -0.001 0.000 0.348 309 F C -1.115 174.700 175.800 0.025 0.000 1.119 309 F CA -0.478 57.540 58.000 0.030 0.000 1.069 309 F CB 1.413 40.583 39.000 0.284 0.000 1.124 309 F HN 0.231 nan 8.300 nan 0.000 0.472 310 V N 6.341 125.989 119.914 -0.445 0.000 2.447 310 V HA 0.291 4.410 4.120 -0.002 0.000 0.292 310 V C -0.755 175.157 176.094 -0.303 0.000 1.021 310 V CA -0.769 61.393 62.300 -0.229 0.000 0.850 310 V CB 1.468 33.250 31.823 -0.068 0.000 1.005 310 V HN 0.792 nan 8.190 nan 0.000 0.426 311 E N 3.206 123.261 120.200 -0.241 0.000 2.158 311 E HA 0.565 4.914 4.350 -0.002 0.000 0.271 311 E C 0.228 176.790 176.600 -0.063 0.000 0.911 311 E CA -0.610 55.658 56.400 -0.220 0.000 0.767 311 E CB 1.891 31.498 29.700 -0.154 0.000 1.120 311 E HN 0.813 nan 8.360 nan 0.000 0.405 312 G N 2.772 111.399 108.800 -0.287 0.000 2.915 312 G HA2 0.246 4.205 3.960 -0.002 0.000 0.298 312 G HA3 0.246 4.205 3.960 -0.002 0.000 0.298 312 G C 0.668 175.367 174.900 -0.334 0.000 0.837 312 G CA -0.069 44.849 45.100 -0.304 0.000 1.752 312 G HN 0.613 nan 8.290 nan 0.000 0.526 313 G N 1.305 109.989 108.800 -0.193 0.000 2.623 313 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.214 313 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.214 313 G C 1.471 176.142 174.900 -0.383 0.000 1.138 313 G CA -0.165 44.800 45.100 -0.224 0.000 0.794 313 G HN 0.551 nan 8.290 nan 0.000 0.535 314 R N -0.246 120.056 120.500 -0.328 0.000 2.393 314 R HA 0.348 4.687 4.340 -0.002 0.000 0.244 314 R C 1.771 178.015 176.300 -0.093 0.000 0.920 314 R CA -0.320 55.561 56.100 -0.365 0.000 1.076 314 R CB 0.045 30.183 30.300 -0.270 0.000 1.119 314 R HN 0.341 nan 8.270 nan 0.000 0.524 315 I N 1.179 121.647 120.570 -0.170 0.000 2.163 315 I HA -0.339 3.830 4.170 -0.002 0.000 0.243 315 I C 2.087 178.069 176.117 -0.226 0.000 1.085 315 I CA 1.790 62.964 61.300 -0.211 0.000 1.347 315 I CB -0.271 37.582 38.000 -0.246 0.000 1.044 315 I HN 0.145 nan 8.210 nan 0.000 0.408 316 D N 0.212 120.563 120.400 -0.081 0.000 2.116 316 D HA -0.246 4.393 4.640 -0.002 0.000 0.193 316 D C 2.110 178.566 176.300 0.260 0.000 0.998 316 D CA 1.776 55.852 54.000 0.128 0.000 0.836 316 D CB -0.067 40.919 40.800 0.310 0.000 0.951 316 D HN 0.450 nan 8.370 nan 0.000 0.449 317 H N -1.046 118.143 119.070 0.198 0.000 2.319 317 H HA -0.044 4.511 4.556 -0.002 0.000 0.299 317 H C 2.230 177.688 175.328 0.216 0.000 1.092 317 H CA 0.647 56.865 56.048 0.283 0.000 1.302 317 H CB -0.269 29.607 29.762 0.189 0.000 1.373 317 H HN 0.282 nan 8.280 nan 0.000 0.497 318 G N 0.879 109.824 108.800 0.242 0.000 2.476 318 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.218 318 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.218 318 G C 1.271 176.103 174.900 -0.113 0.000 1.164 318 G CA 1.115 46.196 45.100 -0.032 0.000 0.768 318 G HN 0.445 nan 8.290 nan 0.000 0.560 319 H N 0.060 118.995 119.070 -0.224 0.000 2.387 319 H HA -0.038 4.517 4.556 -0.002 0.000 0.299 319 H C 2.438 177.567 175.328 -0.332 0.000 1.090 319 H CA 1.331 57.143 56.048 -0.393 0.000 1.332 319 H CB -0.459 28.754 29.762 -0.916 0.000 1.386 319 H HN 0.387 nan 8.280 nan 0.000 0.516 320 H N 0.926 120.051 119.070 0.092 0.000 2.387 320 H HA -0.068 4.487 4.556 -0.001 0.000 0.299 320 H C 1.735 177.056 175.328 -0.013 0.000 1.090 320 H CA 1.038 57.149 56.048 0.105 0.000 1.332 320 H CB 0.139 29.998 29.762 0.162 0.000 1.386 320 H HN 0.568 nan 8.280 nan 0.000 0.516 321 E N 0.308 120.568 120.200 0.100 0.000 2.427 321 E HA -0.017 4.332 4.350 -0.002 0.000 0.196 321 E C 0.378 176.918 176.600 -0.099 0.000 1.028 321 E CA 0.387 56.801 56.400 0.023 0.000 0.864 321 E CB 0.259 29.995 29.700 0.059 0.000 0.813 321 E HN 0.114 nan 8.360 nan 0.000 0.514 322 S N 0.355 115.890 115.700 -0.274 0.000 3.698 322 S HA -0.190 4.279 4.470 -0.002 0.000 0.338 322 S C -0.135 174.425 174.600 -0.068 0.000 1.089 322 S CA 0.540 58.410 58.200 -0.549 0.000 0.991 322 S CB -1.043 61.871 63.200 -0.478 0.000 0.909 322 S HN 0.312 nan 8.310 nan 0.000 0.485 323 R N 0.389 120.890 120.500 0.000 0.000 2.423 323 R HA 0.514 4.853 4.340 -0.002 0.000 0.293 323 R C 1.317 177.685 176.300 0.114 0.000 1.196 323 R CA 0.320 56.453 56.100 0.054 0.000 1.262 323 R CB 0.484 30.756 30.300 -0.046 0.000 1.116 323 R HN 0.315 nan 8.270 nan 0.000 0.566 324 A N 1.880 124.900 122.820 0.332 0.000 2.019 324 A HA -0.238 4.081 4.320 -0.002 0.000 0.219 324 A C 1.672 179.414 177.584 0.262 0.000 1.164 324 A CA 1.096 53.317 52.037 0.307 0.000 0.644 324 A CB -0.380 18.947 19.000 0.546 0.000 0.805 324 A HN 0.769 nan 8.150 nan 0.000 0.449 325 Y N 0.509 120.816 120.300 0.011 0.000 2.207 325 Y HA -0.221 4.328 4.550 -0.002 0.000 0.287 325 Y C 2.475 178.234 175.900 -0.235 0.000 1.156 325 Y CA 2.108 60.016 58.100 -0.319 0.000 1.182 325 Y CB -0.170 37.891 38.460 -0.666 0.000 0.979 325 Y HN 0.293 nan 8.280 nan 0.000 0.521 326 R N -0.677 119.768 120.500 -0.091 0.000 2.075 326 R HA -0.025 4.314 4.340 -0.002 0.000 0.226 326 R C 2.526 178.640 176.300 -0.308 0.000 1.114 326 R CA 0.948 56.835 56.100 -0.354 0.000 0.972 326 R CB -0.528 29.346 30.300 -0.711 0.000 0.869 326 R HN 0.361 nan 8.270 nan 0.000 0.437 327 A N 1.190 123.824 122.820 -0.311 0.000 1.930 327 A HA -0.090 4.229 4.320 -0.002 0.000 0.217 327 A C 2.108 179.495 177.584 -0.329 0.000 1.175 327 A CA 1.108 52.867 52.037 -0.463 0.000 0.627 327 A CB -0.403 17.968 19.000 -1.049 0.000 0.815 327 A HN 0.154 nan 8.150 nan 0.000 0.443 328 L N -0.230 120.869 121.223 -0.205 0.000 2.131 328 L HA -0.099 4.240 4.340 -0.002 0.000 0.206 328 L C 2.932 179.727 176.870 -0.125 0.000 1.087 328 L CA 1.614 56.379 54.840 -0.125 0.000 0.767 328 L CB -0.953 41.100 42.059 -0.010 0.000 0.917 328 L HN 0.621 nan 8.230 nan 0.000 0.441 329 T N -3.310 111.138 114.554 -0.176 0.000 2.821 329 T HA -0.123 4.226 4.350 -0.002 0.000 0.267 329 T C 1.685 176.328 174.700 -0.096 0.000 1.046 329 T CA 0.756 62.754 62.100 -0.171 0.000 1.139 329 T CB -0.179 68.543 68.868 -0.245 0.000 0.871 329 T HN 0.192 nan 8.240 nan 0.000 0.454 330 E N 1.174 121.323 120.200 -0.085 0.000 2.106 330 E HA -0.060 4.289 4.350 -0.002 0.000 0.192 330 E C 2.446 179.038 176.600 -0.013 0.000 0.984 330 E CA 1.357 57.740 56.400 -0.028 0.000 0.806 330 E CB -0.789 28.903 29.700 -0.014 0.000 0.750 330 E HN 0.576 nan 8.360 nan 0.000 0.458 331 T N 1.687 116.212 114.554 -0.049 0.000 2.777 331 T HA -0.056 4.293 4.350 -0.002 0.000 0.266 331 T C 2.112 176.836 174.700 0.040 0.000 1.040 331 T CA 0.730 62.840 62.100 0.017 0.000 1.141 331 T CB -0.144 68.704 68.868 -0.033 0.000 0.868 331 T HN 0.108 nan 8.240 nan 0.000 0.444 332 I N 0.701 121.257 120.570 -0.025 0.000 2.226 332 I HA -0.178 3.991 4.170 -0.002 0.000 0.245 332 I C 2.493 178.587 176.117 -0.037 0.000 1.100 332 I CA 1.134 62.406 61.300 -0.047 0.000 1.374 332 I CB -0.304 37.656 38.000 -0.067 0.000 1.057 332 I HN 0.241 nan 8.210 nan 0.000 0.413 333 M N 0.715 120.309 119.600 -0.010 0.000 2.175 333 M HA -0.236 4.242 4.480 -0.002 0.000 0.264 333 M C 2.042 178.359 176.300 0.028 0.000 1.063 333 M CA 1.807 57.107 55.300 -0.000 0.000 1.119 333 M CB -0.752 31.857 32.600 0.014 0.000 1.377 333 M HN 0.207 nan 8.290 nan 0.000 0.415 334 F N 0.774 120.673 119.950 -0.085 0.000 2.126 334 F HA -0.199 4.327 4.527 -0.001 0.000 0.299 334 F C 1.836 177.552 175.800 -0.140 0.000 1.096 334 F CA 2.431 60.376 58.000 -0.093 0.000 1.255 334 F CB -0.922 38.019 39.000 -0.097 0.000 0.997 334 F HN 0.373 nan 8.300 nan 0.000 0.479 335 D N -0.140 120.076 120.400 -0.307 0.000 2.117 335 D HA -0.186 4.453 4.640 -0.002 0.000 0.198 335 D C 1.809 177.911 176.300 -0.331 0.000 0.982 335 D CA 1.635 55.380 54.000 -0.425 0.000 0.828 335 D CB -0.259 40.380 40.800 -0.267 0.000 0.967 335 D HN 0.230 nan 8.370 nan 0.000 0.464 336 D N -0.150 120.130 120.400 -0.200 0.000 2.133 336 D HA -0.167 4.471 4.640 -0.002 0.000 0.195 336 D C 1.943 178.151 176.300 -0.153 0.000 0.997 336 D CA 1.403 55.315 54.000 -0.146 0.000 0.840 336 D CB -0.482 40.264 40.800 -0.089 0.000 0.947 336 D HN 0.327 nan 8.370 nan 0.000 0.452 337 A N 0.418 123.140 122.820 -0.163 0.000 1.930 337 A HA -0.106 4.213 4.320 -0.002 0.000 0.217 337 A C 2.386 179.860 177.584 -0.183 0.000 1.175 337 A CA 0.745 52.717 52.037 -0.109 0.000 0.627 337 A CB -0.608 18.377 19.000 -0.025 0.000 0.815 337 A HN 0.191 nan 8.150 nan 0.000 0.443 338 I N -0.638 119.640 120.570 -0.487 0.000 2.179 338 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 338 I C 2.569 178.454 176.117 -0.386 0.000 1.088 338 I CA 1.821 62.640 61.300 -0.801 0.000 1.357 338 I CB -0.315 37.036 38.000 -1.082 0.000 1.051 338 I HN 0.520 nan 8.210 nan 0.000 0.409 339 E N 0.939 120.979 120.200 -0.267 0.000 2.085 339 E HA -0.319 4.030 4.350 -0.002 0.000 0.194 339 E C 2.295 178.842 176.600 -0.089 0.000 0.994 339 E CA 1.408 57.720 56.400 -0.146 0.000 0.801 339 E CB 0.038 29.661 29.700 -0.129 0.000 0.743 339 E HN 0.160 nan 8.360 nan 0.000 0.453 340 R N 0.612 121.065 120.500 -0.078 0.000 2.073 340 R HA -0.077 4.262 4.340 -0.002 0.000 0.234 340 R C 2.074 178.379 176.300 0.008 0.000 1.134 340 R CA 1.854 57.936 56.100 -0.031 0.000 0.952 340 R CB -0.901 29.384 30.300 -0.025 0.000 0.850 340 R HN 0.218 nan 8.270 nan 0.000 0.433 341 A N -0.349 122.501 122.820 0.050 0.000 1.940 341 A HA -0.059 4.260 4.320 -0.002 0.000 0.219 341 A C 2.371 180.027 177.584 0.120 0.000 1.176 341 A CA 1.747 53.873 52.037 0.149 0.000 0.631 341 A CB -1.411 17.824 19.000 0.393 0.000 0.814 341 A HN 0.551 nan 8.150 nan 0.000 0.446 342 G N -1.024 107.806 108.800 0.050 0.000 2.432 342 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.219 342 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.219 342 G C 1.575 176.475 174.900 -0.001 0.000 1.135 342 G CA 1.000 46.104 45.100 0.006 0.000 0.767 342 G HN 0.662 nan 8.290 nan 0.000 0.550 343 Q N -0.599 119.200 119.800 -0.002 0.000 2.245 343 Q HA 0.209 4.548 4.340 -0.002 0.000 0.201 343 Q C 2.097 178.104 176.000 0.012 0.000 0.955 343 Q CA 0.397 56.197 55.803 -0.005 0.000 0.870 343 Q CB 0.006 28.736 28.738 -0.014 0.000 0.945 343 Q HN 0.438 nan 8.270 nan 0.000 0.461 344 L N 0.533 121.775 121.223 0.031 0.000 2.611 344 L HA 0.159 4.497 4.340 -0.002 0.000 0.229 344 L C 0.398 177.311 176.870 0.071 0.000 1.137 344 L CA -0.016 54.849 54.840 0.040 0.000 0.901 344 L CB 0.086 42.165 42.059 0.033 0.000 1.098 344 L HN 0.122 nan 8.230 nan 0.000 0.456 345 T N -4.875 109.727 114.554 0.081 0.000 2.883 345 T HA 0.416 4.765 4.350 -0.002 0.000 0.301 345 T C -0.539 174.194 174.700 0.056 0.000 1.158 345 T CA -0.680 61.484 62.100 0.106 0.000 1.007 345 T CB 2.281 71.253 68.868 0.174 0.000 1.186 345 T HN -0.125 nan 8.240 nan 0.000 0.499 346 S N -0.075 115.652 115.700 0.044 0.000 2.508 346 S HA 0.270 4.739 4.470 -0.002 0.000 0.284 346 S C 1.140 175.741 174.600 0.002 0.000 1.192 346 S CA -0.487 57.722 58.200 0.015 0.000 1.070 346 S CB 0.763 63.971 63.200 0.014 0.000 1.004 346 S HN 0.863 nan 8.310 nan 0.000 0.493 347 E N 2.559 122.747 120.200 -0.019 0.000 2.478 347 E HA -0.090 4.259 4.350 -0.002 0.000 0.198 347 E C 0.887 177.485 176.600 -0.004 0.000 1.046 347 E CA 0.779 57.164 56.400 -0.025 0.000 0.870 347 E CB -0.101 29.564 29.700 -0.059 0.000 0.818 347 E HN 0.722 nan 8.360 nan 0.000 0.527 348 E N 1.344 121.544 120.200 -0.001 0.000 2.274 348 E HA -0.141 4.208 4.350 -0.002 0.000 0.194 348 E C 0.757 177.359 176.600 0.003 0.000 0.996 348 E CA 1.471 57.875 56.400 0.005 0.000 0.840 348 E CB 0.187 29.889 29.700 0.004 0.000 0.772 348 E HN 0.533 nan 8.360 nan 0.000 0.491 349 D N -2.019 118.377 120.400 -0.006 0.000 2.538 349 D HA 0.033 4.672 4.640 -0.002 0.000 0.241 349 D C -0.393 175.876 176.300 -0.051 0.000 1.297 349 D CA -0.094 53.893 54.000 -0.022 0.000 0.804 349 D CB 0.113 40.901 40.800 -0.021 0.000 1.122 349 D HN -0.218 nan 8.370 nan 0.000 0.519 350 T N 1.382 115.913 114.554 -0.039 0.000 2.809 350 T HA 0.426 4.775 4.350 -0.002 0.000 0.284 350 T C -0.823 173.868 174.700 -0.016 0.000 0.992 350 T CA -0.646 61.416 62.100 -0.063 0.000 0.957 350 T CB 1.814 70.660 68.868 -0.037 0.000 0.942 350 T HN 0.067 nan 8.240 nan 0.000 0.439 351 L N 3.717 124.928 121.223 -0.019 0.000 2.260 351 L HA 0.590 4.929 4.340 -0.002 0.000 0.289 351 L C -0.294 176.623 176.870 0.079 0.000 1.057 351 L CA 0.307 55.173 54.840 0.043 0.000 0.811 351 L CB 0.577 42.660 42.059 0.040 0.000 1.184 351 L HN 0.521 nan 8.230 nan 0.000 0.429 352 S N 6.349 122.156 115.700 0.177 0.000 2.478 352 S HA 0.691 5.160 4.470 -0.002 0.000 0.312 352 S C -0.664 174.226 174.600 0.484 0.000 1.094 352 S CA -0.590 57.815 58.200 0.341 0.000 1.081 352 S CB 0.957 64.437 63.200 0.467 0.000 1.007 352 S HN 0.520 nan 8.310 nan 0.000 0.475 353 L N 3.255 124.727 121.223 0.414 0.000 2.341 353 L HA 0.683 5.022 4.340 -0.002 0.000 0.278 353 L C -0.882 176.218 176.870 0.384 0.000 1.005 353 L CA -1.017 54.050 54.840 0.378 0.000 0.818 353 L CB 1.663 43.874 42.059 0.254 0.000 1.259 353 L HN 0.291 nan 8.230 nan 0.000 0.418 354 V N 1.727 121.795 119.914 0.256 0.000 2.417 354 V HA 0.699 4.818 4.120 -0.002 0.000 0.291 354 V C 0.047 176.296 176.094 0.259 0.000 1.024 354 V CA -0.202 62.210 62.300 0.187 0.000 0.861 354 V CB 1.810 33.506 31.823 -0.212 0.000 0.985 354 V HN 0.927 nan 8.190 nan 0.000 0.436 355 T N 2.667 117.338 114.554 0.195 0.000 2.671 355 T HA 0.824 5.173 4.350 -0.002 0.000 0.300 355 T C -1.295 173.403 174.700 -0.003 0.000 1.238 355 T CA 0.245 62.403 62.100 0.098 0.000 1.020 355 T CB 1.942 70.816 68.868 0.010 0.000 1.503 355 T HN 1.038 nan 8.240 nan 0.000 0.497 356 A N 0.616 123.393 122.820 -0.072 0.000 2.380 356 A HA 0.660 4.978 4.320 -0.002 0.000 0.315 356 A C 0.536 177.990 177.584 -0.218 0.000 1.101 356 A CA -0.268 51.673 52.037 -0.160 0.000 0.771 356 A CB 1.187 20.128 19.000 -0.098 0.000 1.287 356 A HN 0.873 nan 8.150 nan 0.000 0.436 357 D N 0.064 120.301 120.400 -0.272 0.000 2.249 357 D HA 0.017 4.656 4.640 -0.002 0.000 0.205 357 D C 0.626 176.897 176.300 -0.048 0.000 0.962 357 D CA 1.793 55.740 54.000 -0.087 0.000 0.860 357 D CB -0.164 40.700 40.800 0.107 0.000 0.955 357 D HN 0.770 nan 8.370 nan 0.000 0.505 358 H N -3.469 115.589 119.070 -0.019 0.000 2.849 358 H HA 0.474 5.029 4.556 -0.002 0.000 0.271 358 H C -1.341 173.961 175.328 -0.042 0.000 1.461 358 H CA -0.752 55.277 56.048 -0.032 0.000 1.146 358 H CB 0.649 30.368 29.762 -0.071 0.000 1.834 358 H HN -0.025 nan 8.280 nan 0.000 0.555 359 S N -1.185 114.641 115.700 0.210 0.000 2.753 359 S HA 0.495 4.964 4.470 -0.002 0.000 0.302 359 S C -0.916 173.761 174.600 0.127 0.000 1.104 359 S CA -0.469 57.839 58.200 0.180 0.000 0.968 359 S CB 1.149 64.443 63.200 0.156 0.000 1.278 359 S HN 0.645 nan 8.310 nan 0.000 0.549 360 H N -0.458 118.705 119.070 0.155 0.000 2.946 360 H HA 0.345 4.900 4.556 -0.002 0.000 0.365 360 H C -0.440 174.971 175.328 0.140 0.000 1.197 360 H CA -0.418 55.709 56.048 0.131 0.000 1.131 360 H CB 1.633 31.366 29.762 -0.047 0.000 1.849 360 H HN 0.465 nan 8.280 nan 0.000 0.555 361 V N 0.015 120.115 119.914 0.310 0.000 3.099 361 V HA 0.169 4.288 4.120 -0.002 0.000 0.387 361 V C -0.005 176.243 176.094 0.258 0.000 1.358 361 V CA -0.090 62.355 62.300 0.243 0.000 1.528 361 V CB -1.784 30.171 31.823 0.219 0.000 1.342 361 V HN 0.312 nan 8.190 nan 0.000 0.513 362 F N 2.901 122.844 119.950 -0.013 0.000 2.411 362 F HA 0.726 5.252 4.527 -0.002 0.000 0.350 362 F C 0.455 176.157 175.800 -0.164 0.000 1.114 362 F CA -0.488 57.343 58.000 -0.281 0.000 1.135 362 F CB 1.349 40.093 39.000 -0.426 0.000 1.120 362 F HN 0.395 nan 8.300 nan 0.000 0.495 363 S N 6.361 121.589 115.700 -0.787 0.000 2.548 363 S HA 0.648 5.117 4.470 -0.002 0.000 0.286 363 S C -1.432 172.810 174.600 -0.597 0.000 1.098 363 S CA -0.705 57.161 58.200 -0.556 0.000 0.930 363 S CB 1.744 64.791 63.200 -0.254 0.000 1.070 363 S HN 0.613 nan 8.310 nan 0.000 0.480 364 F N 2.292 121.920 119.950 -0.536 0.000 2.366 364 F HA 0.797 5.323 4.527 -0.002 0.000 0.366 364 F C 0.155 175.801 175.800 -0.257 0.000 1.096 364 F CA -0.751 57.017 58.000 -0.388 0.000 1.060 364 F CB 0.778 39.593 39.000 -0.309 0.000 1.282 364 F HN 1.004 nan 8.300 nan 0.000 0.450 365 G N 2.278 110.927 108.800 -0.252 0.000 3.195 365 G HA2 0.600 4.558 3.960 -0.002 0.000 0.217 365 G HA3 0.600 4.558 3.960 -0.002 0.000 0.217 365 G C 0.096 174.780 174.900 -0.361 0.000 1.166 365 G CA -0.227 44.642 45.100 -0.384 0.000 0.812 365 G HN 1.331 nan 8.290 nan 0.000 0.617 366 G N -1.406 107.197 108.800 -0.329 0.000 2.692 366 G HA2 -0.067 3.891 3.960 -0.002 0.000 0.248 366 G HA3 -0.067 3.891 3.960 -0.002 0.000 0.248 366 G C -0.654 173.848 174.900 -0.663 0.000 1.340 366 G CA 0.473 45.387 45.100 -0.309 0.000 0.896 366 G HN 1.170 nan 8.290 nan 0.000 0.570 367 Y N 1.131 121.392 120.300 -0.066 0.000 2.470 367 Y HA 0.421 4.970 4.550 -0.002 0.000 0.352 367 Y C -1.600 174.260 175.900 -0.067 0.000 0.967 367 Y CA -0.998 57.052 58.100 -0.082 0.000 1.121 367 Y CB 1.091 39.519 38.460 -0.053 0.000 1.149 367 Y HN 0.499 nan 8.280 nan 0.000 0.641 368 P HA 0.109 nan 4.420 nan 0.000 0.271 368 P C -0.020 177.308 177.300 0.047 0.000 1.218 368 P CA -0.033 63.084 63.100 0.028 0.000 0.780 368 P CB 1.618 33.351 31.700 0.054 0.000 0.901 369 L N 1.471 122.716 121.223 0.038 0.000 2.464 369 L HA 0.275 4.614 4.340 -0.002 0.000 0.264 369 L C 1.318 178.212 176.870 0.040 0.000 1.199 369 L CA -0.781 54.079 54.840 0.033 0.000 0.818 369 L CB -0.054 42.017 42.059 0.021 0.000 1.102 369 L HN 0.390 nan 8.230 nan 0.000 0.473 370 R N 1.156 121.678 120.500 0.036 0.000 2.502 370 R HA 0.190 4.529 4.340 -0.002 0.000 0.292 370 R C 0.856 177.175 176.300 0.030 0.000 0.998 370 R CA 1.187 57.311 56.100 0.040 0.000 1.056 370 R CB -0.169 30.152 30.300 0.035 0.000 0.939 370 R HN 0.813 nan 8.270 nan 0.000 0.411 371 G N 2.279 111.098 108.800 0.031 0.000 2.199 371 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.254 371 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.254 371 G C 0.017 174.925 174.900 0.013 0.000 0.982 371 G CA 0.385 45.496 45.100 0.018 0.000 0.632 371 G HN 1.014 nan 8.290 nan 0.000 0.529 372 S N 0.080 115.791 115.700 0.019 0.000 2.576 372 S HA 0.600 5.068 4.470 -0.002 0.000 0.276 372 S C 0.635 175.233 174.600 -0.003 0.000 1.339 372 S CA 0.776 58.985 58.200 0.014 0.000 1.039 372 S CB 1.724 64.936 63.200 0.020 0.000 0.902 372 S HN 1.681 nan 8.310 nan 0.000 0.516 373 S N 1.578 117.277 115.700 -0.002 0.000 2.549 373 S HA 0.076 4.545 4.470 -0.002 0.000 0.286 373 S C 0.990 175.533 174.600 -0.095 0.000 1.314 373 S CA -0.633 57.553 58.200 -0.023 0.000 1.062 373 S CB -0.259 62.973 63.200 0.053 0.000 0.865 373 S HN 0.749 nan 8.310 nan 0.000 0.498 374 I N 4.340 124.743 120.570 -0.279 0.000 2.567 374 I HA 0.025 4.194 4.170 -0.002 0.000 0.257 374 I C 0.627 176.458 176.117 -0.476 0.000 1.184 374 I CA 1.379 62.387 61.300 -0.486 0.000 1.451 374 I CB -0.152 37.395 38.000 -0.754 0.000 1.089 374 I HN 0.739 nan 8.210 nan 0.000 0.441 375 F N 0.331 120.302 119.950 0.035 0.000 2.692 375 F HA 0.383 4.909 4.527 -0.002 0.000 0.303 375 F C 1.510 177.335 175.800 0.040 0.000 1.114 375 F CA -0.153 57.897 58.000 0.083 0.000 1.361 375 F CB -1.157 37.928 39.000 0.142 0.000 1.063 375 F HN -0.055 nan 8.300 nan 0.000 0.550 376 G N 0.341 109.202 108.800 0.101 0.000 2.588 376 G HA2 0.465 4.424 3.960 -0.002 0.000 0.281 376 G HA3 0.465 4.424 3.960 -0.002 0.000 0.281 376 G C -0.254 174.648 174.900 0.004 0.000 1.236 376 G CA -0.670 44.457 45.100 0.045 0.000 0.969 376 G HN 0.049 nan 8.290 nan 0.000 0.504 377 L N 0.449 121.647 121.223 -0.042 0.000 2.395 377 L HA 0.451 4.790 4.340 -0.002 0.000 0.269 377 L C 1.089 177.854 176.870 -0.176 0.000 1.133 377 L CA -0.743 54.032 54.840 -0.109 0.000 0.812 377 L CB 1.155 43.156 42.059 -0.098 0.000 1.125 377 L HN 0.580 nan 8.230 nan 0.000 0.452 378 A N 4.249 126.847 122.820 -0.370 0.000 2.407 378 A HA 0.473 4.792 4.320 -0.002 0.000 0.248 378 A C -2.224 175.185 177.584 -0.292 0.000 1.082 378 A CA -1.152 50.642 52.037 -0.405 0.000 0.785 378 A CB -0.410 18.096 19.000 -0.823 0.000 1.020 378 A HN 0.464 nan 8.150 nan 0.000 0.489 379 P HA 0.371 nan 4.420 nan 0.000 0.266 379 P C 0.547 177.833 177.300 -0.023 0.000 1.195 379 P CA 1.823 64.893 63.100 -0.050 0.000 0.768 379 P CB 0.328 32.033 31.700 0.008 0.000 0.838 380 G N 1.629 110.432 108.800 0.006 0.000 2.731 380 G HA2 -0.176 3.782 3.960 -0.002 0.000 0.686 380 G HA3 -0.176 3.782 3.960 -0.002 0.000 0.686 380 G C -0.918 174.049 174.900 0.112 0.000 1.395 380 G CA -0.842 44.295 45.100 0.062 0.000 0.870 380 G HN 0.547 nan 8.290 nan 0.000 0.591 381 K N 0.584 121.062 120.400 0.129 0.000 2.098 381 K HA 0.700 5.019 4.320 -0.002 0.000 0.257 381 K C 1.002 177.733 176.600 0.217 0.000 0.999 381 K CA 0.009 56.396 56.287 0.168 0.000 0.924 381 K CB 1.402 33.959 32.500 0.095 0.000 1.028 381 K HN 1.045 nan 8.250 nan 0.000 0.466 382 A N 1.174 124.122 122.820 0.213 0.000 2.249 382 A HA 0.144 4.463 4.320 -0.002 0.000 0.281 382 A C 1.123 178.718 177.584 0.019 0.000 1.127 382 A CA -0.149 51.914 52.037 0.043 0.000 0.833 382 A CB 0.403 19.349 19.000 -0.091 0.000 1.140 382 A HN 0.776 nan 8.150 nan 0.000 0.502 383 R N 0.012 120.497 120.500 -0.025 0.000 2.237 383 R HA -0.123 4.216 4.340 -0.002 0.000 0.219 383 R C 0.218 176.518 176.300 0.001 0.000 1.080 383 R CA 1.764 57.859 56.100 -0.009 0.000 0.995 383 R CB -0.488 29.799 30.300 -0.022 0.000 0.875 383 R HN 0.845 nan 8.270 nan 0.000 0.462 384 D N -0.822 119.578 120.400 0.001 0.000 2.325 384 D HA 0.009 4.648 4.640 -0.002 0.000 0.225 384 D C 0.136 176.449 176.300 0.022 0.000 1.096 384 D CA -0.255 53.750 54.000 0.009 0.000 0.844 384 D CB 0.062 40.864 40.800 0.003 0.000 0.925 384 D HN -0.083 nan 8.370 nan 0.000 0.513 385 R N -0.957 119.561 120.500 0.031 0.000 3.951 385 R HA -0.153 4.186 4.340 -0.002 0.000 0.352 385 R C -0.501 175.830 176.300 0.051 0.000 1.178 385 R CA 0.689 56.812 56.100 0.040 0.000 0.949 385 R CB -2.313 28.003 30.300 0.028 0.000 1.452 385 R HN 0.410 nan 8.270 nan 0.000 0.540 386 K N -0.234 120.205 120.400 0.065 0.000 2.221 386 K HA 0.716 5.035 4.320 -0.002 0.000 0.243 386 K C 0.181 176.858 176.600 0.128 0.000 0.968 386 K CA -0.028 56.305 56.287 0.076 0.000 0.846 386 K CB 1.606 34.143 32.500 0.061 0.000 1.141 386 K HN 0.164 nan 8.250 nan 0.000 0.434 387 A N 1.073 123.960 122.820 0.110 0.000 2.386 387 A HA 0.354 4.673 4.320 -0.002 0.000 0.246 387 A C -0.922 176.794 177.584 0.220 0.000 1.089 387 A CA 0.276 52.386 52.037 0.122 0.000 0.790 387 A CB -0.136 18.886 19.000 0.036 0.000 1.042 387 A HN 0.693 nan 8.150 nan 0.000 0.497 388 Y N -1.668 118.655 120.300 0.038 0.000 2.597 388 Y HA 0.664 5.213 4.550 -0.002 0.000 0.340 388 Y C -0.038 175.898 175.900 0.060 0.000 1.097 388 Y CA -0.601 57.531 58.100 0.054 0.000 1.037 388 Y CB 0.531 39.017 38.460 0.042 0.000 1.305 388 Y HN 0.791 nan 8.280 nan 0.000 0.463 389 T N -0.958 113.679 114.554 0.138 0.000 2.918 389 T HA 0.369 4.718 4.350 -0.002 0.000 0.283 389 T C 1.128 175.853 174.700 0.042 0.000 1.001 389 T CA -0.154 61.983 62.100 0.061 0.000 1.041 389 T CB 1.424 70.417 68.868 0.209 0.000 1.028 389 T HN 1.381 nan 8.240 nan 0.000 0.511 390 V N -0.073 119.853 119.914 0.020 0.000 2.667 390 V HA 0.240 4.359 4.120 -0.002 0.000 0.252 390 V C 0.747 176.903 176.094 0.104 0.000 1.065 390 V CA 0.739 63.074 62.300 0.058 0.000 1.083 390 V CB -0.993 30.906 31.823 0.127 0.000 0.692 390 V HN 0.708 nan 8.190 nan 0.000 0.468 391 L N 2.167 123.451 121.223 0.101 0.000 2.282 391 L HA 0.562 4.900 4.340 -0.002 0.000 0.288 391 L C -0.479 176.406 176.870 0.025 0.000 1.033 391 L CA -0.320 54.531 54.840 0.020 0.000 0.807 391 L CB 1.459 43.617 42.059 0.164 0.000 1.209 391 L HN 0.147 nan 8.230 nan 0.000 0.423 392 L N 2.958 124.085 121.223 -0.160 0.000 2.403 392 L HA 0.548 4.887 4.340 -0.002 0.000 0.253 392 L C -0.958 175.741 176.870 -0.284 0.000 1.045 392 L CA -0.696 54.102 54.840 -0.069 0.000 0.845 392 L CB 2.239 44.309 42.059 0.019 0.000 1.447 392 L HN 0.336 nan 8.230 nan 0.000 0.411 393 Y N -1.236 119.154 120.300 0.150 0.000 2.485 393 Y HA 0.485 5.034 4.550 -0.002 0.000 0.345 393 Y C 1.155 177.125 175.900 0.115 0.000 0.998 393 Y CA -0.164 58.029 58.100 0.155 0.000 1.059 393 Y CB 2.074 40.644 38.460 0.184 0.000 1.234 393 Y HN 0.716 nan 8.280 nan 0.000 0.461 394 G N 1.424 110.376 108.800 0.253 0.000 2.421 394 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.216 394 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.216 394 G C 0.008 175.013 174.900 0.175 0.000 1.171 394 G CA 1.189 46.390 45.100 0.169 0.000 0.775 394 G HN 0.730 nan 8.290 nan 0.000 0.543 395 N N -2.584 116.239 118.700 0.206 0.000 2.972 395 N HA 0.619 5.358 4.740 -0.002 0.000 0.262 395 N C -0.263 175.335 175.510 0.147 0.000 1.478 395 N CA 0.003 53.142 53.050 0.148 0.000 0.841 395 N CB 1.150 39.693 38.487 0.094 0.000 1.512 395 N HN 0.853 nan 8.380 nan 0.000 0.548 396 G N -1.618 107.240 108.800 0.096 0.000 2.343 396 G HA2 0.063 4.022 3.960 -0.002 0.000 0.465 396 G HA3 0.063 4.022 3.960 -0.002 0.000 0.465 396 G C -2.655 172.283 174.900 0.064 0.000 1.282 396 G CA -0.419 44.714 45.100 0.054 0.000 0.996 396 G HN 0.574 nan 8.290 nan 0.000 0.521 397 P HA 0.110 nan 4.420 nan 0.000 0.245 397 P C 1.395 178.721 177.300 0.044 0.000 1.212 397 P CA 1.318 64.442 63.100 0.040 0.000 0.774 397 P CB 0.086 31.797 31.700 0.018 0.000 0.999 398 G N -1.106 107.722 108.800 0.046 0.000 2.985 398 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.209 398 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.209 398 G C 0.098 175.056 174.900 0.097 0.000 1.165 398 G CA -0.197 44.922 45.100 0.031 0.000 0.776 398 G HN 0.244 nan 8.290 nan 0.000 0.541 399 Y N 1.349 121.669 120.300 0.035 0.000 2.544 399 Y HA 0.393 4.942 4.550 -0.001 0.000 0.330 399 Y C -0.435 175.486 175.900 0.035 0.000 1.136 399 Y CA -0.067 58.060 58.100 0.044 0.000 1.417 399 Y CB 0.705 39.191 38.460 0.043 0.000 1.229 399 Y HN -0.090 nan 8.280 nan 0.000 0.532 400 V N 7.511 127.216 119.914 -0.348 0.000 3.012 400 V HA 0.419 4.538 4.120 -0.002 0.000 0.307 400 V C -0.899 175.014 176.094 -0.300 0.000 1.166 400 V CA -1.191 61.004 62.300 -0.175 0.000 0.974 400 V CB 2.133 33.917 31.823 -0.064 0.000 1.040 400 V HN 0.622 nan 8.190 nan 0.000 0.428 401 L N 3.476 124.623 121.223 -0.128 0.000 2.362 401 L HA 0.642 4.981 4.340 -0.002 0.000 0.275 401 L C -0.401 176.455 176.870 -0.024 0.000 0.998 401 L CA -0.599 54.188 54.840 -0.087 0.000 0.820 401 L CB 2.072 44.119 42.059 -0.020 0.000 1.270 401 L HN 0.499 nan 8.230 nan 0.000 0.415 402 K N 2.029 122.418 120.400 -0.019 0.000 2.358 402 K HA 0.211 4.530 4.320 -0.002 0.000 0.260 402 K C -0.706 175.896 176.600 0.005 0.000 0.956 402 K CA -0.804 55.484 56.287 0.001 0.000 0.834 402 K CB 1.509 34.012 32.500 0.005 0.000 1.102 402 K HN 0.551 nan 8.250 nan 0.000 0.431 403 D N 2.301 122.708 120.400 0.011 0.000 2.692 403 D HA -0.199 4.440 4.640 -0.002 0.000 0.233 403 D C 0.697 177.004 176.300 0.013 0.000 1.172 403 D CA 1.869 55.877 54.000 0.013 0.000 0.636 403 D CB -0.970 39.837 40.800 0.011 0.000 1.028 403 D HN 1.023 nan 8.370 nan 0.000 0.419 404 G N -1.888 106.921 108.800 0.015 0.000 2.153 404 G HA2 0.094 4.053 3.960 -0.002 0.000 0.252 404 G HA3 0.094 4.053 3.960 -0.002 0.000 0.252 404 G C 0.365 175.270 174.900 0.009 0.000 0.994 404 G CA 0.843 45.954 45.100 0.018 0.000 0.698 404 G HN 1.506 nan 8.290 nan 0.000 0.521 405 A N -1.095 121.722 122.820 -0.005 0.000 2.594 405 A HA 0.862 5.181 4.320 -0.002 0.000 0.291 405 A C 0.111 177.670 177.584 -0.042 0.000 1.105 405 A CA 0.088 52.116 52.037 -0.015 0.000 0.694 405 A CB 0.977 19.976 19.000 -0.003 0.000 1.291 405 A HN 0.874 nan 8.150 nan 0.000 0.410 406 R N 0.886 121.354 120.500 -0.052 0.000 2.522 406 R HA 0.333 4.672 4.340 -0.002 0.000 0.284 406 R C -2.392 173.894 176.300 -0.024 0.000 1.032 406 R CA -0.997 55.060 56.100 -0.071 0.000 1.049 406 R CB 0.213 30.480 30.300 -0.056 0.000 0.956 406 R HN 0.439 nan 8.270 nan 0.000 0.422 407 P HA 0.054 nan 4.420 nan 0.000 0.275 407 P C -0.959 176.369 177.300 0.046 0.000 1.228 407 P CA -0.312 62.799 63.100 0.019 0.000 0.786 407 P CB 0.707 32.424 31.700 0.028 0.000 0.927 408 D N 0.604 121.031 120.400 0.045 0.000 2.360 408 D HA 0.277 4.916 4.640 -0.002 0.000 0.242 408 D C -0.977 175.357 176.300 0.057 0.000 1.184 408 D CA -0.093 53.939 54.000 0.052 0.000 0.930 408 D CB 0.783 41.605 40.800 0.036 0.000 1.161 408 D HN 0.063 nan 8.370 nan 0.000 0.447 409 V N 1.045 120.987 119.914 0.045 0.000 2.808 409 V HA 0.575 4.694 4.120 -0.002 0.000 0.308 409 V C -0.441 175.632 176.094 -0.035 0.000 1.099 409 V CA -0.173 62.133 62.300 0.010 0.000 0.920 409 V CB 1.825 33.670 31.823 0.035 0.000 1.014 409 V HN 0.822 nan 8.190 nan 0.000 0.425 410 T N 1.921 116.432 114.554 -0.071 0.000 2.944 410 T HA 0.464 4.813 4.350 -0.002 0.000 0.284 410 T C 1.001 175.637 174.700 -0.107 0.000 1.010 410 T CA 0.125 62.184 62.100 -0.068 0.000 1.025 410 T CB 1.579 70.417 68.868 -0.051 0.000 1.079 410 T HN 0.880 nan 8.240 nan 0.000 0.516 411 E N 1.214 121.371 120.200 -0.072 0.000 2.110 411 E HA -0.178 4.171 4.350 -0.002 0.000 0.193 411 E C 2.097 178.651 176.600 -0.077 0.000 0.988 411 E CA 1.533 57.894 56.400 -0.066 0.000 0.804 411 E CB -0.571 29.110 29.700 -0.032 0.000 0.745 411 E HN 0.725 nan 8.360 nan 0.000 0.458 412 S N 1.255 116.914 115.700 -0.069 0.000 2.382 412 S HA -0.242 4.227 4.470 -0.002 0.000 0.228 412 S C 2.064 176.598 174.600 -0.109 0.000 1.027 412 S CA 1.341 59.501 58.200 -0.068 0.000 0.991 412 S CB -0.320 62.852 63.200 -0.047 0.000 0.823 412 S HN 0.365 nan 8.310 nan 0.000 0.469 413 E N 1.663 121.772 120.200 -0.150 0.000 2.028 413 E HA -0.164 4.184 4.350 -0.002 0.000 0.191 413 E C 2.227 178.544 176.600 -0.470 0.000 0.988 413 E CA 1.440 57.703 56.400 -0.229 0.000 0.799 413 E CB -0.236 29.328 29.700 -0.227 0.000 0.755 413 E HN 0.735 nan 8.360 nan 0.000 0.447 414 S N -0.780 114.573 115.700 -0.577 0.000 2.447 414 S HA -0.041 4.428 4.470 -0.002 0.000 0.233 414 S C 1.843 176.335 174.600 -0.181 0.000 1.006 414 S CA 0.902 58.688 58.200 -0.690 0.000 0.957 414 S CB 0.018 62.997 63.200 -0.367 0.000 0.773 414 S HN 0.298 nan 8.310 nan 0.000 0.507 415 G N 0.771 109.513 108.800 -0.096 0.000 3.042 415 G HA2 0.239 4.198 3.960 -0.002 0.000 0.212 415 G HA3 0.239 4.198 3.960 -0.002 0.000 0.212 415 G C 0.269 175.058 174.900 -0.184 0.000 1.166 415 G CA 0.106 45.198 45.100 -0.014 0.000 0.767 415 G HN 0.552 nan 8.290 nan 0.000 0.546 416 S N 0.561 116.142 115.700 -0.199 0.000 2.580 416 S HA 0.327 4.796 4.470 -0.002 0.000 0.274 416 S C -1.026 173.278 174.600 -0.493 0.000 1.329 416 S CA -1.126 56.905 58.200 -0.283 0.000 1.036 416 S CB 1.650 64.774 63.200 -0.126 0.000 0.919 416 S HN -0.037 nan 8.310 nan 0.000 0.515 417 P HA 0.033 nan 4.420 nan 0.000 0.225 417 P C 0.298 177.394 177.300 -0.340 0.000 1.148 417 P CA 0.832 63.391 63.100 -0.902 0.000 0.779 417 P CB 0.125 31.356 31.700 -0.782 0.000 0.780 418 E N -2.774 117.323 120.200 -0.171 0.000 2.474 418 E HA 0.045 4.394 4.350 -0.002 0.000 0.195 418 E C 0.047 176.654 176.600 0.010 0.000 1.039 418 E CA -0.339 56.029 56.400 -0.053 0.000 0.881 418 E CB -0.638 29.051 29.700 -0.018 0.000 0.970 418 E HN 0.253 nan 8.360 nan 0.000 0.486 419 Y N 1.986 122.228 120.300 -0.097 0.000 2.526 419 Y HA 0.074 4.623 4.550 -0.001 0.000 0.330 419 Y C -0.083 175.844 175.900 0.046 0.000 1.156 419 Y CA -0.128 57.961 58.100 -0.018 0.000 1.419 419 Y CB 0.394 38.847 38.460 -0.011 0.000 1.250 419 Y HN -0.201 nan 8.280 nan 0.000 0.540 420 R N 5.411 125.500 120.500 -0.685 0.000 2.229 420 R HA 0.209 4.548 4.340 -0.002 0.000 0.332 420 R C -0.532 175.312 176.300 -0.760 0.000 0.989 420 R CA -0.901 54.906 56.100 -0.488 0.000 0.842 420 R CB 0.946 31.098 30.300 -0.248 0.000 1.119 420 R HN 0.676 nan 8.270 nan 0.000 0.456 421 Q N 1.921 121.596 119.800 -0.208 0.000 2.395 421 Q HA -0.002 4.337 4.340 -0.002 0.000 0.271 421 Q C -0.058 176.033 176.000 0.152 0.000 1.026 421 Q CA 0.514 56.371 55.803 0.090 0.000 0.900 421 Q CB 0.573 29.558 28.738 0.410 0.000 1.266 421 Q HN 0.358 nan 8.270 nan 0.000 0.430 422 Q N 0.502 120.403 119.800 0.169 0.000 2.454 422 Q HA 0.339 4.678 4.340 -0.002 0.000 0.247 422 Q C -0.400 175.738 176.000 0.230 0.000 1.028 422 Q CA 0.021 55.918 55.803 0.156 0.000 0.910 422 Q CB 0.812 29.630 28.738 0.134 0.000 1.276 422 Q HN 0.754 nan 8.270 nan 0.000 0.489 423 S N -1.030 114.810 115.700 0.234 0.000 2.661 423 S HA 0.651 5.120 4.470 -0.002 0.000 0.285 423 S C -0.124 174.670 174.600 0.322 0.000 1.138 423 S CA -0.362 58.003 58.200 0.275 0.000 0.855 423 S CB 1.569 64.935 63.200 0.277 0.000 1.136 423 S HN 0.619 nan 8.310 nan 0.000 0.484 424 A N 0.409 123.377 122.820 0.246 0.000 2.123 424 A HA 0.564 4.883 4.320 -0.002 0.000 0.214 424 A C 0.349 178.023 177.584 0.151 0.000 1.152 424 A CA 0.448 52.627 52.037 0.236 0.000 0.728 424 A CB -0.243 18.833 19.000 0.126 0.000 0.814 424 A HN 0.966 nan 8.150 nan 0.000 0.464 425 V N 1.612 121.550 119.914 0.039 0.000 2.612 425 V HA 0.319 4.438 4.120 -0.002 0.000 0.301 425 V C -2.901 173.086 176.094 -0.179 0.000 1.059 425 V CA -1.794 60.387 62.300 -0.198 0.000 0.886 425 V CB 2.471 34.245 31.823 -0.081 0.000 1.007 425 V HN 0.162 nan 8.190 nan 0.000 0.426 426 P HA 0.424 nan 4.420 nan 0.000 0.276 426 P C -1.176 176.088 177.300 -0.060 0.000 1.243 426 P CA 0.029 63.054 63.100 -0.126 0.000 0.768 426 P CB 0.981 32.589 31.700 -0.153 0.000 0.856 427 L N 2.548 123.772 121.223 0.002 0.000 2.434 427 L HA 0.330 4.669 4.340 -0.002 0.000 0.260 427 L C 1.110 177.994 176.870 0.023 0.000 0.983 427 L CA -0.788 54.057 54.840 0.008 0.000 0.820 427 L CB 2.084 44.156 42.059 0.020 0.000 1.361 427 L HN 0.132 nan 8.230 nan 0.000 0.410 428 D N 0.681 121.092 120.400 0.017 0.000 2.149 428 D HA -0.087 4.552 4.640 -0.002 0.000 0.198 428 D C -0.016 176.301 176.300 0.028 0.000 0.990 428 D CA 1.574 55.585 54.000 0.019 0.000 0.839 428 D CB 0.424 41.230 40.800 0.009 0.000 0.948 428 D HN 0.510 nan 8.370 nan 0.000 0.460 429 E N 0.388 120.613 120.200 0.041 0.000 2.272 429 E HA 0.151 4.500 4.350 -0.002 0.000 0.269 429 E C -0.356 176.333 176.600 0.149 0.000 0.877 429 E CA -0.686 55.770 56.400 0.094 0.000 0.755 429 E CB 2.472 32.206 29.700 0.056 0.000 1.192 429 E HN -0.068 nan 8.360 nan 0.000 0.422 430 E N 1.944 122.252 120.200 0.180 0.000 2.418 430 E HA 0.057 4.406 4.350 -0.002 0.000 0.261 430 E C -0.737 176.039 176.600 0.294 0.000 1.070 430 E CA 0.468 56.964 56.400 0.159 0.000 0.931 430 E CB 1.075 30.769 29.700 -0.009 0.000 0.954 430 E HN 0.337 nan 8.360 nan 0.000 0.439 431 T N 2.536 117.219 114.554 0.215 0.000 2.934 431 T HA 0.250 4.599 4.350 -0.002 0.000 0.283 431 T C -0.263 174.534 174.700 0.163 0.000 1.005 431 T CA -0.393 61.805 62.100 0.163 0.000 1.041 431 T CB 0.385 69.313 68.868 0.100 0.000 1.042 431 T HN 0.398 nan 8.240 nan 0.000 0.505 432 H N -0.127 118.909 119.070 -0.057 0.000 2.801 432 H HA 0.449 5.004 4.556 -0.002 0.000 0.377 432 H C 0.250 175.527 175.328 -0.086 0.000 1.304 432 H CA -0.679 55.194 56.048 -0.293 0.000 1.451 432 H CB 0.499 30.023 29.762 -0.397 0.000 1.474 432 H HN 0.629 nan 8.280 nan 0.000 0.620 433 A N 0.199 123.074 122.820 0.091 0.000 2.413 433 A HA 0.494 4.813 4.320 -0.002 0.000 0.307 433 A C 0.944 178.602 177.584 0.123 0.000 1.087 433 A CA -0.186 51.919 52.037 0.114 0.000 0.750 433 A CB 1.236 20.310 19.000 0.123 0.000 1.296 433 A HN 0.847 nan 8.150 nan 0.000 0.423 434 G N 0.463 109.333 108.800 0.116 0.000 3.284 434 G HA2 0.290 4.249 3.960 -0.002 0.000 0.236 434 G HA3 0.290 4.249 3.960 -0.002 0.000 0.236 434 G C 0.383 175.349 174.900 0.110 0.000 1.158 434 G CA 0.274 45.451 45.100 0.128 0.000 0.774 434 G HN 0.793 nan 8.290 nan 0.000 0.545 435 E N 1.263 121.520 120.200 0.096 0.000 2.349 435 E HA 0.101 4.450 4.350 -0.002 0.000 0.262 435 E C -1.085 175.564 176.600 0.081 0.000 1.088 435 E CA -0.563 55.882 56.400 0.074 0.000 0.899 435 E CB 0.801 30.537 29.700 0.059 0.000 1.044 435 E HN -0.074 nan 8.360 nan 0.000 0.420 436 D N 0.653 121.090 120.400 0.060 0.000 2.449 436 D HA 0.127 4.766 4.640 -0.002 0.000 0.236 436 D C 0.146 176.473 176.300 0.045 0.000 1.149 436 D CA 0.103 54.135 54.000 0.053 0.000 0.878 436 D CB 0.784 41.600 40.800 0.027 0.000 1.198 436 D HN 0.406 nan 8.370 nan 0.000 0.446 437 V N -1.512 118.425 119.914 0.038 0.000 2.994 437 V HA 0.869 4.987 4.120 -0.002 0.000 0.318 437 V C 0.055 176.136 176.094 -0.022 0.000 1.085 437 V CA -1.180 61.134 62.300 0.024 0.000 0.998 437 V CB 1.489 33.329 31.823 0.028 0.000 1.063 437 V HN 0.572 nan 8.190 nan 0.000 0.447 438 A N 1.483 124.270 122.820 -0.055 0.000 2.304 438 A HA 0.763 5.082 4.320 -0.002 0.000 0.271 438 A C -0.285 177.175 177.584 -0.207 0.000 1.091 438 A CA -0.501 51.407 52.037 -0.216 0.000 0.812 438 A CB 0.871 19.612 19.000 -0.431 0.000 1.056 438 A HN 1.367 nan 8.150 nan 0.000 0.489 439 V N 1.360 121.102 119.914 -0.287 0.000 2.487 439 V HA 0.482 4.601 4.120 -0.002 0.000 0.298 439 V C -1.292 174.670 176.094 -0.220 0.000 1.028 439 V CA -0.183 62.048 62.300 -0.115 0.000 0.860 439 V CB 0.956 32.793 31.823 0.024 0.000 0.991 439 V HN 0.662 nan 8.190 nan 0.000 0.427 440 F N 2.960 122.932 119.950 0.036 0.000 2.458 440 F HA 0.860 5.386 4.527 -0.002 0.000 0.336 440 F C 0.420 176.373 175.800 0.255 0.000 1.114 440 F CA -0.563 57.464 58.000 0.045 0.000 0.987 440 F CB 1.974 40.807 39.000 -0.278 0.000 1.130 440 F HN 0.576 nan 8.300 nan 0.000 0.458 441 A N 4.039 127.236 122.820 0.628 0.000 2.435 441 A HA 0.990 5.309 4.320 -0.002 0.000 0.304 441 A C -0.918 177.016 177.584 0.582 0.000 1.064 441 A CA -0.953 51.463 52.037 0.632 0.000 0.727 441 A CB 1.930 21.188 19.000 0.430 0.000 1.284 441 A HN 0.906 nan 8.150 nan 0.000 0.415 442 R N 0.799 121.502 120.500 0.339 0.000 2.668 442 R HA 0.830 5.168 4.340 -0.002 0.000 0.272 442 R C 0.075 176.435 176.300 0.100 0.000 1.019 442 R CA -0.204 55.953 56.100 0.096 0.000 0.894 442 R CB 1.276 31.372 30.300 -0.341 0.000 1.228 442 R HN 2.511 nan 8.270 nan 0.000 0.460 443 G N 1.006 109.874 108.800 0.112 0.000 2.422 443 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.607 443 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.607 443 G C -2.924 172.050 174.900 0.122 0.000 1.270 443 G CA -1.072 44.078 45.100 0.084 0.000 0.992 443 G HN 0.510 nan 8.290 nan 0.000 0.499 444 P HA 0.306 nan 4.420 nan 0.000 0.262 444 P C 0.122 177.472 177.300 0.083 0.000 1.199 444 P CA 0.916 64.068 63.100 0.087 0.000 0.763 444 P CB 0.660 32.380 31.700 0.034 0.000 0.790 445 Q N 1.387 121.258 119.800 0.118 0.000 2.385 445 Q HA -0.250 4.089 4.340 -0.002 0.000 0.215 445 Q C 1.221 177.105 176.000 -0.193 0.000 0.671 445 Q CA 1.434 57.200 55.803 -0.063 0.000 1.335 445 Q CB -2.766 25.997 28.738 0.042 0.000 1.425 445 Q HN 0.613 nan 8.270 nan 0.000 0.781 446 A N 1.100 123.910 122.820 -0.016 0.000 1.969 446 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 446 A C 1.712 179.102 177.584 -0.322 0.000 1.169 446 A CA 1.642 53.694 52.037 0.025 0.000 0.635 446 A CB -0.908 18.276 19.000 0.308 0.000 0.810 446 A HN 0.680 nan 8.150 nan 0.000 0.445 447 H N -0.262 118.399 119.070 -0.682 0.000 2.560 447 H HA 0.053 4.608 4.556 -0.002 0.000 0.283 447 H C 1.354 176.478 175.328 -0.340 0.000 1.028 447 H CA 1.103 56.530 56.048 -1.035 0.000 1.221 447 H CB -0.545 28.770 29.762 -0.746 0.000 1.363 447 H HN 0.486 nan 8.280 nan 0.000 0.594 448 L N 0.880 121.821 121.223 -0.469 0.000 2.418 448 L HA 0.072 4.411 4.340 -0.002 0.000 0.218 448 L C 0.595 177.639 176.870 0.291 0.000 1.125 448 L CA -0.036 54.759 54.840 -0.075 0.000 0.835 448 L CB 0.229 42.240 42.059 -0.081 0.000 0.953 448 L HN 0.007 nan 8.230 nan 0.000 0.454 449 V N 2.637 122.674 119.914 0.206 0.000 2.387 449 V HA 0.152 4.271 4.120 -0.002 0.000 0.260 449 V C -0.087 176.109 176.094 0.170 0.000 1.054 449 V CA -0.172 62.290 62.300 0.270 0.000 0.967 449 V CB -0.470 31.513 31.823 0.266 0.000 1.036 449 V HN 0.346 nan 8.190 nan 0.000 0.481 450 H N 3.032 122.066 119.070 -0.061 0.000 3.003 450 H HA 0.609 5.164 4.556 -0.002 0.000 0.327 450 H C 0.202 175.458 175.328 -0.121 0.000 1.353 450 H CA -0.089 55.928 56.048 -0.052 0.000 1.142 450 H CB 1.442 31.180 29.762 -0.040 0.000 1.864 450 H HN 0.895 nan 8.280 nan 0.000 0.529 451 G N 0.058 108.745 108.800 -0.189 0.000 2.566 451 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.280 451 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.280 451 G C -1.008 173.748 174.900 -0.241 0.000 1.225 451 G CA 0.276 45.244 45.100 -0.221 0.000 0.966 451 G HN 0.899 nan 8.290 nan 0.000 0.560 452 V N 1.810 121.580 119.914 -0.240 0.000 2.407 452 V HA 0.633 4.752 4.120 -0.002 0.000 0.291 452 V C 0.153 176.118 176.094 -0.215 0.000 1.018 452 V CA -0.222 61.977 62.300 -0.169 0.000 0.842 452 V CB 1.163 32.931 31.823 -0.092 0.000 0.996 452 V HN 0.779 nan 8.190 nan 0.000 0.426 453 Q N 2.504 122.183 119.800 -0.202 0.000 2.451 453 Q HA 0.538 4.877 4.340 -0.002 0.000 0.281 453 Q C -0.945 175.025 176.000 -0.050 0.000 1.099 453 Q CA -1.014 54.660 55.803 -0.214 0.000 0.806 453 Q CB 2.569 31.037 28.738 -0.451 0.000 1.419 453 Q HN 0.553 nan 8.270 nan 0.000 0.427 454 E N 1.392 121.595 120.200 0.005 0.000 2.383 454 E HA -0.085 4.264 4.350 -0.002 0.000 0.264 454 E C 0.337 177.000 176.600 0.105 0.000 1.050 454 E CA 0.205 56.640 56.400 0.059 0.000 0.896 454 E CB 0.878 30.615 29.700 0.061 0.000 0.982 454 E HN 0.640 nan 8.360 nan 0.000 0.424 455 Q N 1.382 121.232 119.800 0.084 0.000 2.297 455 Q HA -0.161 4.177 4.340 -0.002 0.000 0.208 455 Q C 1.538 177.663 176.000 0.208 0.000 0.981 455 Q CA 1.865 57.756 55.803 0.147 0.000 0.876 455 Q CB 0.027 28.841 28.738 0.128 0.000 0.921 455 Q HN 0.696 nan 8.270 nan 0.000 0.446 456 T N -1.988 112.674 114.554 0.180 0.000 2.929 456 T HA -0.166 4.183 4.350 -0.002 0.000 0.271 456 T C 1.375 176.283 174.700 0.346 0.000 1.085 456 T CA 0.787 63.034 62.100 0.246 0.000 1.125 456 T CB -0.523 68.469 68.868 0.206 0.000 0.874 456 T HN 0.347 nan 8.240 nan 0.000 0.494 457 F N 2.224 122.262 119.950 0.147 0.000 2.154 457 F HA -0.060 4.465 4.527 -0.002 0.000 0.301 457 F C 1.946 177.857 175.800 0.185 0.000 1.087 457 F CA 0.827 58.908 58.000 0.136 0.000 1.274 457 F CB -0.353 38.672 39.000 0.042 0.000 1.009 457 F HN 0.045 nan 8.300 nan 0.000 0.485 458 I N 0.623 121.357 120.570 0.274 0.000 2.118 458 I HA -0.359 3.810 4.170 -0.002 0.000 0.241 458 I C 2.745 178.955 176.117 0.155 0.000 1.070 458 I CA 1.673 63.101 61.300 0.213 0.000 1.327 458 I CB -2.195 35.973 38.000 0.279 0.000 1.034 458 I HN 0.233 nan 8.210 nan 0.000 0.405 459 A N 0.004 122.933 122.820 0.183 0.000 1.877 459 A HA -0.214 4.105 4.320 -0.002 0.000 0.216 459 A C 2.237 179.836 177.584 0.025 0.000 1.186 459 A CA 1.424 53.529 52.037 0.112 0.000 0.620 459 A CB -0.991 18.041 19.000 0.053 0.000 0.822 459 A HN 0.479 nan 8.150 nan 0.000 0.443 460 H N -1.520 117.553 119.070 0.005 0.000 2.423 460 H HA -0.057 4.498 4.556 -0.002 0.000 0.297 460 H C 2.263 177.491 175.328 -0.166 0.000 1.075 460 H CA 1.587 57.639 56.048 0.007 0.000 1.342 460 H CB -0.192 29.556 29.762 -0.022 0.000 1.395 460 H HN 0.339 nan 8.280 nan 0.000 0.530 461 V N 1.025 120.762 119.914 -0.296 0.000 2.548 461 V HA -0.194 3.925 4.120 -0.002 0.000 0.249 461 V C 2.242 178.328 176.094 -0.013 0.000 1.055 461 V CA 1.030 63.156 62.300 -0.289 0.000 1.065 461 V CB -0.284 31.237 31.823 -0.504 0.000 0.681 461 V HN 0.293 nan 8.190 nan 0.000 0.462 462 M N -0.208 119.413 119.600 0.036 0.000 2.086 462 M HA -0.102 4.377 4.480 -0.002 0.000 0.261 462 M C 2.377 178.745 176.300 0.113 0.000 1.067 462 M CA 2.159 57.520 55.300 0.102 0.000 1.116 462 M CB -0.640 32.068 32.600 0.180 0.000 1.348 462 M HN 0.446 nan 8.290 nan 0.000 0.407 463 A N 0.261 123.164 122.820 0.137 0.000 1.877 463 A HA -0.201 4.118 4.320 -0.002 0.000 0.216 463 A C 2.019 179.731 177.584 0.214 0.000 1.186 463 A CA 1.473 53.618 52.037 0.179 0.000 0.620 463 A CB -1.060 18.072 19.000 0.220 0.000 0.822 463 A HN 0.521 nan 8.150 nan 0.000 0.443 464 F N 1.202 121.171 119.950 0.032 0.000 2.095 464 F HA -0.135 4.391 4.527 -0.002 0.000 0.298 464 F C 2.468 178.234 175.800 -0.057 0.000 1.104 464 F CA 1.372 59.287 58.000 -0.141 0.000 1.232 464 F CB -0.521 38.168 39.000 -0.519 0.000 0.987 464 F HN 0.239 nan 8.300 nan 0.000 0.475 465 A N 0.117 122.840 122.820 -0.161 0.000 1.933 465 A HA 0.043 4.362 4.320 -0.002 0.000 0.218 465 A C 2.161 179.624 177.584 -0.202 0.000 1.175 465 A CA 1.543 53.454 52.037 -0.211 0.000 0.628 465 A CB -1.403 17.582 19.000 -0.025 0.000 0.814 465 A HN 0.512 nan 8.150 nan 0.000 0.444 466 A N -2.247 120.508 122.820 -0.109 0.000 2.345 466 A HA 0.376 4.695 4.320 -0.002 0.000 0.225 466 A C 0.990 178.526 177.584 -0.079 0.000 1.243 466 A CA 0.524 52.516 52.037 -0.074 0.000 0.875 466 A CB -1.194 17.802 19.000 -0.007 0.000 0.929 466 A HN 1.032 nan 8.150 nan 0.000 0.502 467 c N -0.818 117.702 118.600 -0.135 0.000 4.300 467 c HA -0.154 4.415 4.570 -0.002 0.000 0.304 467 c C 1.017 175.113 174.090 0.009 0.000 1.367 467 c CA 0.462 56.741 56.329 -0.084 0.000 2.032 467 c CB -3.304 39.145 42.510 -0.102 0.000 1.285 467 c HN 0.599 nan 8.230 nan 0.000 0.737 468 L N -0.378 120.876 121.223 0.052 0.000 2.884 468 L HA 0.742 5.081 4.340 -0.002 0.000 0.199 468 L C 1.740 178.641 176.870 0.052 0.000 1.828 468 L CA 0.404 55.272 54.840 0.046 0.000 2.124 468 L CB -0.774 41.311 42.059 0.044 0.000 2.736 468 L HN 0.516 nan 8.230 nan 0.000 0.592 469 E N 0.415 120.613 120.200 -0.003 0.000 3.556 469 E HA -0.284 4.065 4.350 -0.002 0.000 0.346 469 E C -1.803 174.687 176.600 -0.183 0.000 1.552 469 E CA 1.416 57.765 56.400 -0.086 0.000 1.969 469 E CB -3.411 26.244 29.700 -0.075 0.000 1.833 469 E HN 0.669 nan 8.360 nan 0.000 0.447 470 P HA 0.198 nan 4.420 nan 0.000 0.255 470 P C -0.323 176.675 177.300 -0.502 0.000 1.357 470 P CA 0.898 63.725 63.100 -0.454 0.000 0.839 470 P CB -0.512 30.896 31.700 -0.486 0.000 1.356 471 Y N -0.884 119.466 120.300 0.083 0.000 2.781 471 Y HA 0.278 4.827 4.550 -0.002 0.000 0.326 471 Y C 1.305 177.232 175.900 0.046 0.000 1.019 471 Y CA -0.680 57.489 58.100 0.114 0.000 1.372 471 Y CB 0.139 38.739 38.460 0.234 0.000 1.260 471 Y HN -0.159 nan 8.280 nan 0.000 0.546 472 T N 0.334 114.946 114.554 0.097 0.000 2.882 472 T HA 0.502 4.851 4.350 -0.002 0.000 0.287 472 T C 0.854 175.609 174.700 0.092 0.000 1.014 472 T CA 0.573 62.712 62.100 0.066 0.000 1.049 472 T CB 0.731 69.616 68.868 0.029 0.000 1.001 472 T HN 0.672 nan 8.240 nan 0.000 0.525 473 A N 0.951 123.816 122.820 0.076 0.000 3.568 473 A HA -0.124 4.195 4.320 -0.002 0.000 0.216 473 A C 0.909 178.575 177.584 0.137 0.000 1.313 473 A CA 0.335 52.428 52.037 0.093 0.000 1.112 473 A CB -2.975 16.084 19.000 0.097 0.000 1.102 473 A HN 1.652 nan 8.150 nan 0.000 0.791 474 c N -1.067 117.591 118.600 0.096 0.000 2.656 474 c HA 0.678 5.247 4.570 -0.002 0.000 0.391 474 c C 0.846 174.971 174.090 0.059 0.000 1.300 474 c CA 0.419 56.782 56.329 0.056 0.000 2.302 474 c CB 0.510 42.853 42.510 -0.280 0.000 2.655 474 c HN 0.548 nan 8.230 nan 0.000 0.656 475 D N 0.687 121.151 120.400 0.107 0.000 2.738 475 D HA 0.377 5.016 4.640 -0.002 0.000 0.246 475 D C -0.182 176.138 176.300 0.035 0.000 1.270 475 D CA -0.084 53.961 54.000 0.074 0.000 0.833 475 D CB -0.178 40.683 40.800 0.103 0.000 1.040 475 D HN 0.385 nan 8.370 nan 0.000 0.487 476 L N 0.797 122.003 121.223 -0.027 0.000 2.343 476 L HA 0.629 4.968 4.340 -0.002 0.000 0.275 476 L C 0.702 177.556 176.870 -0.027 0.000 1.056 476 L CA -1.190 53.626 54.840 -0.040 0.000 0.804 476 L CB 0.970 42.952 42.059 -0.128 0.000 1.203 476 L HN -0.028 nan 8.230 nan 0.000 0.440 477 A N 3.962 126.775 122.820 -0.011 0.000 2.332 477 A HA 0.669 4.987 4.320 -0.002 0.000 0.258 477 A C -2.259 175.315 177.584 -0.018 0.000 1.087 477 A CA -1.139 50.893 52.037 -0.008 0.000 0.802 477 A CB -0.545 18.457 19.000 0.002 0.000 1.042 477 A HN 0.584 nan 8.150 nan 0.000 0.489 478 P HA 0.195 nan 4.420 nan 0.000 0.268 478 P C -2.299 174.992 177.300 -0.015 0.000 1.208 478 P CA -0.625 62.466 63.100 -0.016 0.000 0.777 478 P CB -0.481 31.214 31.700 -0.009 0.000 0.875 479 P HA 0.000 nan 4.420 nan 0.000 0.216 479 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 479 P CB 0.000 31.686 31.700 -0.024 0.000 0.726