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 1jey_1_B DATA FIRST_RESID 6 DATA SEQUENCE NKAAVVLCMD VGFTMSNSIP GIESPFEQAK KVITMFVQRQ VFAENKDEIA DATA SEQUENCE LVLFGTDGTD NPLSGGDQYQ NITVHRHLML PDFDLLEDIE SKIQPGSQQA DATA SEQUENCE DFLDALIVSM DVIQHETIGK KFEKRHIEIF TDLSSRFSKS QLDIIIHSLK DATA SEQUENCE KCDISLQFFL PFSLGXXXXX XXXXXGPFRL GGHGPSFPLK GITEQQKEGL DATA SEQUENCE EIVKMVMISL EGEDGLDEIY SFSESLRKLC VFKKIERHSI HWPCRLTIGS DATA SEQUENCE NLSIRIAAYK SILQERVKKT WTVVDAKTLK KEDIQKETVY CLNDDDETEV DATA SEQUENCE LKEDIIQGFR YGSDIVPFSK VDEEQMKYKS EGKCFSVLGF CKSSQVQRRF DATA SEQUENCE FMGNQVLKVF AARDDEAAAV ALSSLIHALD DLDMVAIVRY AYDKRANPQV DATA SEQUENCE GVAFPHIKHN YECLVYVQLP FMEDLRQYMF SSLKNSKKYA PTEAQLNAVD DATA SEQUENCE ALIDSMSLAK KDEKTDTLED LFPTTKIPNP RFQRLFQCLL HRALHPREPL DATA SEQUENCE PPIQQHIWNM LNPPAEVTTK SQIPLSKIKT LFPLIEAKKK 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.520 175.510 0.017 0.000 1.280 6 N CA 0.000 53.053 53.050 0.004 0.000 0.885 6 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 7 K N 0.584 121.008 120.400 0.040 0.000 2.532 7 K HA 0.736 5.291 4.320 0.392 0.000 0.265 7 K C -2.000 174.750 176.600 0.249 0.000 0.948 7 K CA -0.417 55.924 56.287 0.089 0.000 0.842 7 K CB 2.379 34.854 32.500 -0.042 0.000 1.392 7 K HN 0.133 nan 8.250 nan 0.000 0.436 8 A N 1.049 124.082 122.820 0.355 0.000 2.515 8 A HA 0.795 5.350 4.320 0.392 0.000 0.298 8 A C -1.656 176.073 177.584 0.242 0.000 1.059 8 A CA -0.628 51.620 52.037 0.351 0.000 0.698 8 A CB 1.805 20.932 19.000 0.211 0.000 1.289 8 A HN 0.655 nan 8.150 nan 0.000 0.404 9 A N 1.200 123.942 122.820 -0.129 0.000 2.260 9 A HA 0.666 5.221 4.320 0.392 0.000 0.314 9 A C -0.723 176.785 177.584 -0.126 0.000 1.257 9 A CA -0.394 51.372 52.037 -0.452 0.000 0.871 9 A CB 0.447 18.808 19.000 -1.065 0.000 1.166 9 A HN 1.256 nan 8.150 nan 0.000 0.522 10 V N 3.213 123.111 119.914 -0.027 0.000 2.656 10 V HA 0.489 4.844 4.120 0.392 0.000 0.307 10 V C -0.531 175.551 176.094 -0.020 0.000 1.051 10 V CA -0.527 61.795 62.300 0.037 0.000 0.893 10 V CB 1.967 33.903 31.823 0.188 0.000 0.999 10 V HN 0.636 nan 8.190 nan 0.000 0.426 11 V N 5.827 125.697 119.914 -0.073 0.000 2.378 11 V HA 0.466 4.821 4.120 0.392 0.000 0.288 11 V C -0.296 175.745 176.094 -0.088 0.000 1.016 11 V CA -0.511 61.744 62.300 -0.076 0.000 0.840 11 V CB 1.599 33.372 31.823 -0.084 0.000 0.994 11 V HN 0.639 nan 8.190 nan 0.000 0.431 12 L N 4.396 125.587 121.223 -0.053 0.000 2.265 12 L HA 0.415 4.990 4.340 0.392 0.000 0.288 12 L C 0.008 176.921 176.870 0.072 0.000 1.058 12 L CA -0.084 54.762 54.840 0.010 0.000 0.809 12 L CB 1.139 43.145 42.059 -0.089 0.000 1.179 12 L HN 0.684 nan 8.230 nan 0.000 0.429 13 C N 6.748 126.150 119.300 0.171 0.000 2.206 13 C HA 0.453 5.148 4.460 0.392 0.000 0.324 13 C C 0.323 175.567 174.990 0.423 0.000 1.120 13 C CA -0.726 58.428 59.018 0.228 0.000 1.546 13 C CB -0.096 27.719 27.740 0.125 0.000 2.023 13 C HN 0.845 nan 8.230 nan 0.000 0.448 14 M N 4.791 124.559 119.600 0.280 0.000 2.318 14 M HA 0.357 5.072 4.480 0.392 0.000 0.347 14 M C -0.496 175.708 176.300 -0.161 0.000 1.175 14 M CA 0.086 55.456 55.300 0.117 0.000 1.075 14 M CB 0.840 33.354 32.600 -0.143 0.000 1.614 14 M HN 0.584 nan 8.290 nan 0.000 0.456 15 D N 4.135 124.286 120.400 -0.414 0.000 2.317 15 D HA 0.295 5.170 4.640 0.392 0.000 0.234 15 D C -0.053 176.045 176.300 -0.337 0.000 1.112 15 D CA -0.130 53.283 54.000 -0.978 0.000 0.840 15 D CB 1.187 41.574 40.800 -0.689 0.000 1.078 15 D HN 0.519 nan 8.370 nan 0.000 0.486 16 V N 2.115 121.878 119.914 -0.252 0.000 2.915 16 V HA 0.555 4.910 4.120 0.392 0.000 0.364 16 V C 0.728 176.784 176.094 -0.063 0.000 1.354 16 V CA -0.433 61.887 62.300 0.033 0.000 1.213 16 V CB 0.392 32.299 31.823 0.141 0.000 1.268 16 V HN 0.371 nan 8.190 nan 0.000 0.557 17 G N -0.743 108.004 108.800 -0.088 0.000 2.572 17 G HA2 0.335 4.530 3.960 0.392 0.000 0.261 17 G HA3 0.335 4.530 3.960 0.392 0.000 0.261 17 G C 0.189 175.106 174.900 0.028 0.000 1.197 17 G CA -0.150 44.956 45.100 0.008 0.000 0.870 17 G HN 0.240 nan 8.290 nan 0.000 0.548 18 F N 1.164 121.094 119.950 -0.034 0.000 2.048 18 F HA -0.302 4.460 4.527 0.392 0.000 0.296 18 F C 3.089 178.873 175.800 -0.025 0.000 1.109 18 F CA 3.065 61.042 58.000 -0.039 0.000 1.214 18 F CB -0.657 38.336 39.000 -0.012 0.000 0.963 18 F HN 0.507 nan 8.300 nan 0.000 0.491 19 T N -1.842 112.695 114.554 -0.028 0.000 2.849 19 T HA -0.254 4.331 4.350 0.392 0.000 0.270 19 T C 1.887 176.514 174.700 -0.121 0.000 1.066 19 T CA 1.468 63.510 62.100 -0.097 0.000 1.130 19 T CB -0.524 68.390 68.868 0.077 0.000 0.864 19 T HN 0.247 nan 8.240 nan 0.000 0.481 20 M N 1.522 121.074 119.600 -0.081 0.000 2.446 20 M HA 0.091 4.806 4.480 0.392 0.000 0.263 20 M C 1.915 178.181 176.300 -0.056 0.000 1.066 20 M CA 0.752 56.041 55.300 -0.017 0.000 1.087 20 M CB -1.133 31.499 32.600 0.053 0.000 1.406 20 M HN 0.300 nan 8.290 nan 0.000 0.459 21 S N -0.052 115.511 115.700 -0.227 0.000 2.540 21 S HA 0.116 4.821 4.470 0.392 0.000 0.218 21 S C 0.443 174.906 174.600 -0.228 0.000 0.977 21 S CA -0.333 57.716 58.200 -0.251 0.000 0.918 21 S CB -0.038 62.930 63.200 -0.388 0.000 0.806 21 S HN 0.412 nan 8.310 nan 0.000 0.496 22 N N 4.108 122.670 118.700 -0.230 0.000 2.411 22 N HA -0.006 4.969 4.740 0.392 0.000 0.282 22 N C -0.157 175.314 175.510 -0.065 0.000 1.322 22 N CA 0.243 53.200 53.050 -0.155 0.000 0.943 22 N CB 0.321 38.748 38.487 -0.100 0.000 1.266 22 N HN 0.368 nan 8.380 nan 0.000 0.486 23 S N 2.087 117.754 115.700 -0.054 0.000 2.474 23 S HA 0.403 5.108 4.470 0.392 0.000 0.276 23 S C 0.469 175.072 174.600 0.006 0.000 1.227 23 S CA -0.863 57.330 58.200 -0.012 0.000 1.050 23 S CB 0.674 63.869 63.200 -0.008 0.000 0.939 23 S HN 0.336 nan 8.310 nan 0.000 0.490 24 I N 4.348 124.930 120.570 0.022 0.000 2.342 24 I HA 0.279 4.684 4.170 0.392 0.000 0.291 24 I C -1.853 174.285 176.117 0.034 0.000 1.010 24 I CA -2.696 58.618 61.300 0.025 0.000 1.308 24 I CB 1.060 39.074 38.000 0.023 0.000 1.400 24 I HN 0.460 nan 8.210 nan 0.000 0.488 25 P HA -0.128 nan 4.420 nan 0.000 0.212 25 P C 0.841 178.171 177.300 0.050 0.000 0.974 25 P CA 1.078 64.198 63.100 0.034 0.000 1.226 25 P CB -0.115 31.601 31.700 0.026 0.000 1.258 26 G N 2.809 111.647 108.800 0.063 0.000 2.234 26 G HA2 -0.234 3.961 3.960 0.392 0.000 0.235 26 G HA3 -0.234 3.961 3.960 0.392 0.000 0.235 26 G C 0.086 175.067 174.900 0.135 0.000 0.997 26 G CA -0.280 44.873 45.100 0.088 0.000 0.623 26 G HN 0.498 nan 8.290 nan 0.000 0.514 27 I N 2.132 122.776 120.570 0.123 0.000 2.304 27 I HA 0.306 4.712 4.170 0.392 0.000 0.291 27 I C 0.638 176.832 176.117 0.129 0.000 1.018 27 I CA -0.688 60.708 61.300 0.160 0.000 1.260 27 I CB 1.185 39.203 38.000 0.030 0.000 1.390 27 I HN 0.120 nan 8.210 nan 0.000 0.475 28 E N 3.988 124.307 120.200 0.198 0.000 2.534 28 E HA -0.046 4.539 4.350 0.392 0.000 0.264 28 E C 0.262 176.921 176.600 0.099 0.000 0.981 28 E CA 0.109 56.598 56.400 0.148 0.000 0.948 28 E CB 0.557 30.368 29.700 0.185 0.000 0.934 28 E HN 0.704 nan 8.360 nan 0.000 0.459 29 S N 3.071 118.813 115.700 0.071 0.000 2.603 29 S HA 0.133 4.838 4.470 0.392 0.000 0.268 29 S C -1.916 172.715 174.600 0.052 0.000 1.317 29 S CA -1.316 56.917 58.200 0.055 0.000 1.012 29 S CB 1.346 64.571 63.200 0.041 0.000 0.926 29 S HN 0.227 nan 8.310 nan 0.000 0.539 30 P HA -0.114 nan 4.420 nan 0.000 0.216 30 P C 1.225 178.432 177.300 -0.156 0.000 1.153 30 P CA 1.025 64.165 63.100 0.068 0.000 0.858 30 P CB -0.125 31.691 31.700 0.193 0.000 0.789 31 F N 1.137 120.974 119.950 -0.187 0.000 2.091 31 F HA -0.230 4.536 4.527 0.400 0.000 0.299 31 F C 2.048 177.692 175.800 -0.260 0.000 1.103 31 F CA 1.737 59.600 58.000 -0.229 0.000 1.228 31 F CB -0.476 38.423 39.000 -0.169 0.000 0.984 31 F HN -0.134 nan 8.300 nan 0.000 0.477 32 E N 0.077 120.232 120.200 -0.076 0.000 2.106 32 E HA -0.200 4.385 4.350 0.392 0.000 0.192 32 E C 2.206 178.647 176.600 -0.265 0.000 0.984 32 E CA 1.180 57.488 56.400 -0.153 0.000 0.806 32 E CB -0.465 29.245 29.700 0.017 0.000 0.750 32 E HN 0.649 nan 8.360 nan 0.000 0.458 33 Q N 0.317 119.952 119.800 -0.276 0.000 2.046 33 Q HA -0.060 4.515 4.340 0.392 0.000 0.200 33 Q C 2.207 177.834 176.000 -0.622 0.000 0.975 33 Q CA 1.385 56.998 55.803 -0.316 0.000 0.836 33 Q CB -0.168 28.479 28.738 -0.151 0.000 0.896 33 Q HN 0.211 nan 8.270 nan 0.000 0.428 34 A N 1.177 123.362 122.820 -1.059 0.000 1.972 34 A HA -0.217 4.338 4.320 0.392 0.000 0.219 34 A C 1.959 179.074 177.584 -0.782 0.000 1.169 34 A CA 1.583 52.963 52.037 -1.095 0.000 0.635 34 A CB -0.333 18.042 19.000 -1.042 0.000 0.810 34 A HN 0.168 nan 8.150 nan 0.000 0.446 35 K N -0.179 119.795 120.400 -0.710 0.000 2.147 35 K HA -0.102 4.453 4.320 0.392 0.000 0.205 35 K C 1.964 178.322 176.600 -0.403 0.000 1.049 35 K CA 1.596 57.521 56.287 -0.602 0.000 0.936 35 K CB -0.094 32.033 32.500 -0.621 0.000 0.722 35 K HN 0.463 nan 8.250 nan 0.000 0.446 36 K N -0.348 119.849 120.400 -0.339 0.000 2.103 36 K HA -0.048 4.507 4.320 0.392 0.000 0.204 36 K C 1.846 178.321 176.600 -0.208 0.000 1.052 36 K CA 1.045 57.199 56.287 -0.222 0.000 0.945 36 K CB 0.178 32.542 32.500 -0.227 0.000 0.722 36 K HN -0.046 nan 8.250 nan 0.000 0.443 37 V N 1.692 121.440 119.914 -0.277 0.000 2.358 37 V HA -0.233 4.122 4.120 0.392 0.000 0.246 37 V C 2.132 178.066 176.094 -0.267 0.000 1.047 37 V CA 1.571 63.739 62.300 -0.221 0.000 1.035 37 V CB -0.372 31.350 31.823 -0.168 0.000 0.658 37 V HN 0.279 nan 8.190 nan 0.000 0.452 38 I N 0.143 120.432 120.570 -0.468 0.000 2.315 38 I HA -0.212 4.193 4.170 0.392 0.000 0.248 38 I C 2.528 178.555 176.117 -0.151 0.000 1.117 38 I CA 1.730 62.762 61.300 -0.447 0.000 1.404 38 I CB -0.567 37.030 38.000 -0.671 0.000 1.071 38 I HN 0.337 nan 8.210 nan 0.000 0.419 39 T N 0.819 115.289 114.554 -0.139 0.000 2.746 39 T HA -0.232 4.353 4.350 0.392 0.000 0.267 39 T C 1.891 176.633 174.700 0.070 0.000 1.039 39 T CA 1.380 63.463 62.100 -0.029 0.000 1.142 39 T CB -0.231 68.628 68.868 -0.016 0.000 0.866 39 T HN 0.337 nan 8.240 nan 0.000 0.444 40 M N 0.273 119.925 119.600 0.087 0.000 2.065 40 M HA -0.130 4.585 4.480 0.392 0.000 0.259 40 M C 2.089 178.563 176.300 0.289 0.000 1.069 40 M CA 1.894 57.316 55.300 0.204 0.000 1.110 40 M CB -0.336 32.363 32.600 0.166 0.000 1.328 40 M HN 0.297 nan 8.290 nan 0.000 0.405 41 F N 0.466 120.440 119.950 0.039 0.000 2.075 41 F HA -0.193 4.684 4.527 0.583 0.000 0.297 41 F C 1.859 177.743 175.800 0.139 0.000 1.113 41 F CA 1.950 60.001 58.000 0.084 0.000 1.218 41 F CB -0.530 38.364 39.000 -0.177 0.000 0.984 41 F HN -0.046 nan 8.300 nan 0.000 0.472 42 V N 0.686 120.676 119.914 0.126 0.000 2.427 42 V HA -0.303 4.052 4.120 0.392 0.000 0.248 42 V C 2.305 178.259 176.094 -0.233 0.000 1.051 42 V CA 2.112 64.370 62.300 -0.070 0.000 1.048 42 V CB -0.906 30.914 31.823 -0.006 0.000 0.666 42 V HN 0.424 nan 8.190 nan 0.000 0.456 43 Q N -0.046 119.680 119.800 -0.123 0.000 2.030 43 Q HA -0.289 4.286 4.340 0.392 0.000 0.204 43 Q C 2.483 178.210 176.000 -0.456 0.000 0.986 43 Q CA 2.219 57.915 55.803 -0.178 0.000 0.843 43 Q CB -0.350 28.497 28.738 0.183 0.000 0.904 43 Q HN 0.580 nan 8.270 nan 0.000 0.420 44 R N 0.458 120.765 120.500 -0.320 0.000 2.091 44 R HA -0.191 4.384 4.340 0.392 0.000 0.238 44 R C 2.197 178.171 176.300 -0.543 0.000 1.136 44 R CA 1.474 57.270 56.100 -0.506 0.000 0.959 44 R CB 0.053 30.171 30.300 -0.304 0.000 0.856 44 R HN 0.222 nan 8.270 nan 0.000 0.437 45 Q N -0.050 119.453 119.800 -0.494 0.000 2.170 45 Q HA -0.093 4.482 4.340 0.392 0.000 0.203 45 Q C 2.207 177.936 176.000 -0.450 0.000 0.976 45 Q CA 1.359 56.889 55.803 -0.455 0.000 0.858 45 Q CB -0.100 28.360 28.738 -0.463 0.000 0.907 45 Q HN 0.298 nan 8.270 nan 0.000 0.433 46 V N -0.086 119.470 119.914 -0.596 0.000 2.302 46 V HA -0.155 4.200 4.120 0.392 0.000 0.243 46 V C 1.912 177.570 176.094 -0.727 0.000 1.036 46 V CA 1.428 63.276 62.300 -0.752 0.000 1.020 46 V CB -0.623 30.529 31.823 -1.119 0.000 0.657 46 V HN 0.202 nan 8.190 nan 0.000 0.453 47 F N 0.405 120.054 119.950 -0.501 0.000 2.502 47 F HA 0.076 4.838 4.527 0.392 0.000 0.298 47 F C 2.167 177.776 175.800 -0.318 0.000 1.111 47 F CA 0.772 58.522 58.000 -0.417 0.000 1.445 47 F CB -0.277 38.354 39.000 -0.615 0.000 1.081 47 F HN 0.134 nan 8.300 nan 0.000 0.558 48 A N -0.201 122.478 122.820 -0.236 0.000 2.238 48 A HA 0.074 4.629 4.320 0.392 0.000 0.210 48 A C 0.771 178.267 177.584 -0.147 0.000 1.179 48 A CA -0.026 51.912 52.037 -0.165 0.000 0.827 48 A CB -0.491 18.374 19.000 -0.225 0.000 0.856 48 A HN 0.419 nan 8.150 nan 0.000 0.488 49 E N 1.011 121.105 120.200 -0.177 0.000 2.252 49 E HA -0.178 4.407 4.350 0.392 0.000 0.218 49 E C -0.634 175.895 176.600 -0.119 0.000 1.253 49 E CA 0.272 56.586 56.400 -0.144 0.000 0.705 49 E CB -1.696 27.950 29.700 -0.089 0.000 1.172 49 E HN 0.713 nan 8.360 nan 0.000 0.369 50 N N 0.698 119.316 118.700 -0.138 0.000 2.322 50 N HA 0.155 5.130 4.740 0.392 0.000 0.270 50 N C 0.929 176.399 175.510 -0.066 0.000 1.286 50 N CA -0.129 52.864 53.050 -0.096 0.000 0.948 50 N CB 0.421 38.847 38.487 -0.102 0.000 1.164 50 N HN 0.163 nan 8.380 nan 0.000 0.551 51 K N -0.094 120.288 120.400 -0.029 0.000 2.374 51 K HA 0.144 4.699 4.320 0.392 0.000 0.202 51 K C -0.752 175.881 176.600 0.056 0.000 1.040 51 K CA -0.247 56.036 56.287 -0.006 0.000 1.085 51 K CB 0.441 32.929 32.500 -0.019 0.000 0.873 51 K HN 0.426 nan 8.250 nan 0.000 0.539 52 D N 2.883 123.322 120.400 0.065 0.000 2.443 52 D HA -0.009 4.866 4.640 0.392 0.000 0.239 52 D C 0.134 176.520 176.300 0.143 0.000 1.136 52 D CA 0.756 54.842 54.000 0.144 0.000 0.879 52 D CB 0.820 41.687 40.800 0.111 0.000 1.195 52 D HN 0.039 nan 8.370 nan 0.000 0.443 53 E N 1.322 121.650 120.200 0.212 0.000 2.191 53 E HA 0.501 5.086 4.350 0.392 0.000 0.278 53 E C -0.090 176.556 176.600 0.076 0.000 0.972 53 E CA -0.596 55.891 56.400 0.144 0.000 0.804 53 E CB 1.978 31.804 29.700 0.210 0.000 1.110 53 E HN 0.323 nan 8.360 nan 0.000 0.394 54 I N 1.372 121.981 120.570 0.064 0.000 2.533 54 I HA 0.479 4.884 4.170 0.392 0.000 0.290 54 I C -0.473 175.663 176.117 0.033 0.000 1.056 54 I CA -0.797 60.546 61.300 0.071 0.000 1.057 54 I CB 2.002 40.081 38.000 0.131 0.000 1.240 54 I HN 0.456 nan 8.210 nan 0.000 0.423 55 A N 5.813 128.638 122.820 0.008 0.000 2.354 55 A HA 0.909 5.465 4.320 0.392 0.000 0.321 55 A C -1.476 176.097 177.584 -0.018 0.000 1.125 55 A CA -0.535 51.491 52.037 -0.019 0.000 0.799 55 A CB 1.830 20.803 19.000 -0.046 0.000 1.293 55 A HN 0.589 nan 8.150 nan 0.000 0.452 56 L N 2.149 123.360 121.223 -0.019 0.000 2.406 56 L HA 0.625 5.200 4.340 0.392 0.000 0.270 56 L C -1.294 175.586 176.870 0.016 0.000 0.982 56 L CA -0.255 54.589 54.840 0.006 0.000 0.843 56 L CB 1.560 43.648 42.059 0.049 0.000 1.225 56 L HN 0.413 nan 8.230 nan 0.000 0.412 57 V N 6.146 126.075 119.914 0.026 0.000 2.472 57 V HA 0.537 4.892 4.120 0.392 0.000 0.290 57 V C -0.062 176.115 176.094 0.139 0.000 1.037 57 V CA -0.493 61.844 62.300 0.062 0.000 0.908 57 V CB 1.703 33.556 31.823 0.050 0.000 0.985 57 V HN 0.616 nan 8.190 nan 0.000 0.454 58 L N 5.700 127.016 121.223 0.156 0.000 2.346 58 L HA 0.725 5.300 4.340 0.392 0.000 0.274 58 L C -0.815 176.230 176.870 0.292 0.000 1.007 58 L CA -0.517 54.423 54.840 0.167 0.000 0.818 58 L CB 1.715 43.818 42.059 0.072 0.000 1.284 58 L HN 0.722 nan 8.230 nan 0.000 0.424 59 F N -0.614 119.389 119.950 0.089 0.000 2.565 59 F HA 0.843 5.597 4.527 0.379 0.000 0.313 59 F C 0.517 176.386 175.800 0.115 0.000 1.091 59 F CA -0.553 57.510 58.000 0.105 0.000 0.915 59 F CB 2.067 41.140 39.000 0.123 0.000 1.208 59 F HN 0.588 nan 8.300 nan 0.000 0.453 60 G N 1.094 110.029 108.800 0.225 0.000 2.168 60 G HA2 -0.111 4.084 3.960 0.392 0.000 0.197 60 G HA3 -0.111 4.084 3.960 0.392 0.000 0.197 60 G C -0.065 174.887 174.900 0.087 0.000 0.997 60 G CA -0.196 44.980 45.100 0.127 0.000 0.658 60 G HN 1.206 nan 8.290 nan 0.000 0.513 61 T N -1.862 112.751 114.554 0.098 0.000 2.828 61 T HA 0.524 5.109 4.350 0.392 0.000 0.290 61 T C 1.019 175.761 174.700 0.071 0.000 1.019 61 T CA 0.453 62.596 62.100 0.072 0.000 1.031 61 T CB 1.534 70.449 68.868 0.078 0.000 1.001 61 T HN -0.108 nan 8.240 nan 0.000 0.531 62 D N 1.417 121.848 120.400 0.052 0.000 2.117 62 D HA 0.116 4.991 4.640 0.392 0.000 0.198 62 D C 1.438 177.768 176.300 0.050 0.000 0.982 62 D CA 1.335 55.362 54.000 0.046 0.000 0.828 62 D CB -0.771 40.049 40.800 0.033 0.000 0.967 62 D HN 0.789 nan 8.370 nan 0.000 0.464 63 G N -1.081 107.751 108.800 0.054 0.000 2.525 63 G HA2 0.458 4.653 3.960 0.392 0.000 0.287 63 G HA3 0.458 4.653 3.960 0.392 0.000 0.287 63 G C -0.587 174.354 174.900 0.067 0.000 1.350 63 G CA -0.188 44.945 45.100 0.055 0.000 1.039 63 G HN 0.026 nan 8.290 nan 0.000 0.513 64 T N 0.294 114.886 114.554 0.064 0.000 3.031 64 T HA 0.437 5.022 4.350 0.392 0.000 0.305 64 T C -1.736 173.002 174.700 0.063 0.000 0.985 64 T CA -0.277 61.866 62.100 0.072 0.000 1.008 64 T CB 1.515 70.426 68.868 0.071 0.000 1.005 64 T HN 0.534 nan 8.240 nan 0.000 0.444 65 D N 3.573 124.012 120.400 0.065 0.000 2.411 65 D HA 0.328 5.203 4.640 0.392 0.000 0.239 65 D C -0.879 175.448 176.300 0.046 0.000 1.307 65 D CA -0.436 53.598 54.000 0.055 0.000 0.930 65 D CB 0.252 41.087 40.800 0.059 0.000 1.395 65 D HN 0.639 nan 8.370 nan 0.000 0.536 66 N N 0.287 119.007 118.700 0.033 0.000 2.484 66 N HA 0.493 5.468 4.740 0.392 0.000 0.269 66 N C -2.700 172.794 175.510 -0.027 0.000 1.237 66 N CA -1.265 51.786 53.050 0.001 0.000 0.838 66 N CB 1.849 40.326 38.487 -0.015 0.000 1.593 66 N HN -0.141 nan 8.380 nan 0.000 0.485 67 P HA 0.123 nan 4.420 nan 0.000 0.269 67 P C -0.374 176.830 177.300 -0.159 0.000 1.601 67 P CA 0.336 63.377 63.100 -0.099 0.000 0.831 67 P CB -0.118 31.505 31.700 -0.128 0.000 1.688 68 L N -1.966 119.165 121.223 -0.153 0.000 3.689 68 L HA 0.132 4.707 4.340 0.392 0.000 0.344 68 L C 1.732 178.591 176.870 -0.017 0.000 1.221 68 L CA 0.105 54.819 54.840 -0.210 0.000 1.171 68 L CB -0.155 41.532 42.059 -0.620 0.000 1.540 68 L HN -0.216 nan 8.230 nan 0.000 0.631 69 S N 0.934 116.653 115.700 0.031 0.000 2.469 69 S HA -0.053 4.652 4.470 0.392 0.000 0.238 69 S C 1.435 176.085 174.600 0.083 0.000 0.998 69 S CA 0.762 59.021 58.200 0.097 0.000 0.957 69 S CB -0.357 62.884 63.200 0.068 0.000 0.764 69 S HN 0.533 nan 8.310 nan 0.000 0.514 70 G N 0.941 109.772 108.800 0.053 0.000 2.151 70 G HA2 0.335 4.530 3.960 0.392 0.000 0.269 70 G HA3 0.335 4.530 3.960 0.392 0.000 0.269 70 G C 0.842 175.778 174.900 0.060 0.000 1.069 70 G CA 0.185 45.312 45.100 0.045 0.000 1.080 70 G HN 0.798 nan 8.290 nan 0.000 0.405 71 G N 2.765 111.594 108.800 0.049 0.000 2.167 71 G HA2 -0.150 4.045 3.960 0.392 0.000 0.194 71 G HA3 -0.150 4.045 3.960 0.392 0.000 0.194 71 G C 0.217 175.143 174.900 0.042 0.000 1.027 71 G CA 0.138 45.264 45.100 0.043 0.000 0.717 71 G HN 1.069 nan 8.290 nan 0.000 0.501 72 D N -0.574 119.853 120.400 0.045 0.000 2.701 72 D HA -0.155 4.720 4.640 0.392 0.000 0.235 72 D C 0.808 177.128 176.300 0.034 0.000 1.155 72 D CA 2.037 56.060 54.000 0.038 0.000 0.649 72 D CB -0.324 40.489 40.800 0.022 0.000 1.050 72 D HN 0.848 nan 8.370 nan 0.000 0.425 73 Q N -1.510 118.333 119.800 0.071 0.000 2.486 73 Q HA 0.402 4.977 4.340 0.392 0.000 0.274 73 Q C 0.150 176.228 176.000 0.130 0.000 1.076 73 Q CA -0.987 54.839 55.803 0.038 0.000 0.872 73 Q CB 0.738 29.534 28.738 0.096 0.000 1.383 73 Q HN 0.184 nan 8.270 nan 0.000 0.478 74 Y N 0.207 120.511 120.300 0.007 0.000 2.950 74 Y HA -0.279 4.505 4.550 0.390 0.000 0.214 74 Y C 0.061 175.978 175.900 0.027 0.000 1.153 74 Y CA 0.316 58.421 58.100 0.009 0.000 0.966 74 Y CB -1.494 36.964 38.460 -0.004 0.000 1.195 74 Y HN 0.253 nan 8.280 nan 0.000 0.507 75 Q N 1.013 120.880 119.800 0.112 0.000 2.312 75 Q HA 0.179 4.754 4.340 0.392 0.000 0.236 75 Q C 1.037 177.108 176.000 0.120 0.000 0.965 75 Q CA -0.295 55.569 55.803 0.102 0.000 0.894 75 Q CB 0.566 29.343 28.738 0.066 0.000 1.225 75 Q HN 0.577 nan 8.270 nan 0.000 0.478 76 N N 0.041 118.809 118.700 0.114 0.000 2.741 76 N HA -0.211 4.764 4.740 0.392 0.000 0.250 76 N C -0.828 174.787 175.510 0.174 0.000 1.115 76 N CA 0.746 53.874 53.050 0.130 0.000 0.724 76 N CB -1.255 37.312 38.487 0.132 0.000 1.090 76 N HN 0.489 nan 8.380 nan 0.000 0.558 77 I N 0.734 121.403 120.570 0.164 0.000 2.418 77 I HA 0.240 4.645 4.170 0.392 0.000 0.287 77 I C -0.002 176.192 176.117 0.128 0.000 1.008 77 I CA -0.281 61.128 61.300 0.182 0.000 1.104 77 I CB 2.121 40.223 38.000 0.170 0.000 1.264 77 I HN -0.191 nan 8.210 nan 0.000 0.438 78 T N 5.309 119.939 114.554 0.127 0.000 2.848 78 T HA 0.331 4.916 4.350 0.392 0.000 0.285 78 T C -0.232 174.502 174.700 0.057 0.000 0.995 78 T CA -0.440 61.713 62.100 0.088 0.000 0.970 78 T CB 2.149 71.077 68.868 0.101 0.000 0.976 78 T HN 0.147 nan 8.240 nan 0.000 0.441 79 V N 4.020 123.927 119.914 -0.012 0.000 2.267 79 V HA 0.105 4.460 4.120 0.392 0.000 0.254 79 V C 1.378 177.398 176.094 -0.125 0.000 1.144 79 V CA -0.168 62.056 62.300 -0.128 0.000 0.992 79 V CB -0.351 31.282 31.823 -0.317 0.000 1.199 79 V HN 0.951 nan 8.190 nan 0.000 0.493 80 H N 4.200 123.211 119.070 -0.099 0.000 2.387 80 H HA 0.007 4.796 4.556 0.388 0.000 0.299 80 H C 1.249 176.533 175.328 -0.072 0.000 1.090 80 H CA 1.651 57.664 56.048 -0.058 0.000 1.332 80 H CB 0.313 30.056 29.762 -0.032 0.000 1.386 80 H HN 0.530 nan 8.280 nan 0.000 0.516 81 R N 0.388 120.786 120.500 -0.171 0.000 2.574 81 R HA 0.234 4.810 4.340 0.392 0.000 0.288 81 R C -1.516 174.669 176.300 -0.192 0.000 1.004 81 R CA -0.619 55.381 56.100 -0.166 0.000 0.895 81 R CB 0.659 30.938 30.300 -0.035 0.000 1.191 81 R HN 0.286 nan 8.270 nan 0.000 0.444 82 H N 3.371 122.415 119.070 -0.043 0.000 2.488 82 H HA 0.237 5.030 4.556 0.395 0.000 0.347 82 H C 0.009 175.329 175.328 -0.013 0.000 1.174 82 H CA -0.648 55.386 56.048 -0.024 0.000 1.307 82 H CB 1.245 30.993 29.762 -0.023 0.000 1.517 82 H HN 0.427 nan 8.280 nan 0.000 0.554 83 L N 3.370 124.658 121.223 0.107 0.000 2.660 83 L HA -0.079 4.496 4.340 0.392 0.000 0.272 83 L C 0.306 177.224 176.870 0.080 0.000 1.194 83 L CA 0.941 55.817 54.840 0.060 0.000 0.945 83 L CB -0.450 41.627 42.059 0.030 0.000 1.212 83 L HN 0.561 nan 8.230 nan 0.000 0.490 84 M N 2.613 122.253 119.600 0.067 0.000 2.918 84 M HA 0.292 5.007 4.480 0.392 0.000 0.272 84 M C -1.500 174.824 176.300 0.040 0.000 1.082 84 M CA -0.987 54.352 55.300 0.064 0.000 0.799 84 M CB 1.199 33.828 32.600 0.047 0.000 1.659 84 M HN 0.059 nan 8.290 nan 0.000 0.533 85 L N 3.294 124.533 121.223 0.026 0.000 2.593 85 L HA 0.173 4.748 4.340 0.392 0.000 0.287 85 L C -1.794 175.043 176.870 -0.054 0.000 1.243 85 L CA -0.993 53.838 54.840 -0.015 0.000 0.890 85 L CB -0.191 41.848 42.059 -0.033 0.000 1.134 85 L HN 0.477 nan 8.230 nan 0.000 0.502 86 P HA 0.197 nan 4.420 nan 0.000 0.274 86 P C -1.484 175.677 177.300 -0.231 0.000 1.246 86 P CA -0.312 62.702 63.100 -0.143 0.000 0.795 86 P CB 1.276 32.875 31.700 -0.169 0.000 1.006 87 D N -1.370 118.874 120.400 -0.260 0.000 2.759 87 D HA 0.206 5.081 4.640 0.392 0.000 0.321 87 D C 0.276 176.337 176.300 -0.399 0.000 1.267 87 D CA -0.673 53.118 54.000 -0.349 0.000 0.933 87 D CB -0.406 40.312 40.800 -0.136 0.000 1.431 87 D HN 0.108 nan 8.370 nan 0.000 0.504 88 F N 0.081 119.974 119.950 -0.095 0.000 2.451 88 F HA 0.025 4.791 4.527 0.399 0.000 0.299 88 F C 1.699 177.480 175.800 -0.031 0.000 1.101 88 F CA 0.660 58.620 58.000 -0.067 0.000 1.436 88 F CB -0.084 38.894 39.000 -0.037 0.000 1.074 88 F HN 0.232 nan 8.300 nan 0.000 0.553 89 D N 0.022 120.483 120.400 0.102 0.000 2.224 89 D HA -0.094 4.781 4.640 0.392 0.000 0.205 89 D C 2.247 178.582 176.300 0.059 0.000 0.965 89 D CA 0.664 54.710 54.000 0.075 0.000 0.852 89 D CB -0.193 40.639 40.800 0.053 0.000 0.947 89 D HN 0.223 nan 8.370 nan 0.000 0.494 90 L N 0.721 121.954 121.223 0.017 0.000 2.005 90 L HA -0.065 4.510 4.340 0.392 0.000 0.207 90 L C 2.208 179.087 176.870 0.015 0.000 1.072 90 L CA 1.329 56.186 54.840 0.028 0.000 0.744 90 L CB -0.641 41.404 42.059 -0.022 0.000 0.895 90 L HN -0.051 nan 8.230 nan 0.000 0.433 91 L N -0.369 120.842 121.223 -0.020 0.000 2.042 91 L HA -0.260 4.315 4.340 0.392 0.000 0.210 91 L C 2.607 179.505 176.870 0.046 0.000 1.076 91 L CA 1.906 56.747 54.840 0.002 0.000 0.749 91 L CB -0.669 41.395 42.059 0.008 0.000 0.893 91 L HN 0.463 nan 8.230 nan 0.000 0.432 92 E N 0.200 120.444 120.200 0.072 0.000 2.077 92 E HA -0.252 4.333 4.350 0.392 0.000 0.193 92 E C 1.691 178.319 176.600 0.047 0.000 0.989 92 E CA 1.602 58.043 56.400 0.068 0.000 0.800 92 E CB 0.092 29.831 29.700 0.065 0.000 0.746 92 E HN 0.414 nan 8.360 nan 0.000 0.452 93 D N 0.717 121.150 120.400 0.055 0.000 2.104 93 D HA -0.176 4.699 4.640 0.392 0.000 0.194 93 D C 1.997 178.270 176.300 -0.045 0.000 0.994 93 D CA 0.956 54.979 54.000 0.038 0.000 0.830 93 D CB -0.205 40.683 40.800 0.147 0.000 0.959 93 D HN 0.278 nan 8.370 nan 0.000 0.452 94 I N 0.972 121.505 120.570 -0.062 0.000 2.208 94 I HA -0.212 4.193 4.170 0.392 0.000 0.245 94 I C 2.325 178.391 176.117 -0.085 0.000 1.097 94 I CA 1.187 62.415 61.300 -0.120 0.000 1.363 94 I CB -0.969 36.960 38.000 -0.119 0.000 1.051 94 I HN 0.141 nan 8.210 nan 0.000 0.413 95 E N -0.200 119.989 120.200 -0.020 0.000 2.170 95 E HA -0.136 4.449 4.350 0.392 0.000 0.191 95 E C 2.244 178.867 176.600 0.038 0.000 0.981 95 E CA 1.227 57.638 56.400 0.018 0.000 0.830 95 E CB 0.310 30.053 29.700 0.072 0.000 0.775 95 E HN 0.302 nan 8.360 nan 0.000 0.470 96 S N -1.045 114.676 115.700 0.036 0.000 2.931 96 S HA 0.104 4.809 4.470 0.392 0.000 0.251 96 S C 1.608 176.230 174.600 0.036 0.000 1.078 96 S CA -0.039 58.189 58.200 0.046 0.000 0.835 96 S CB -0.051 63.180 63.200 0.051 0.000 0.798 96 S HN 0.106 nan 8.310 nan 0.000 0.495 97 K N 1.096 121.512 120.400 0.027 0.000 1.973 97 K HA 0.118 4.673 4.320 0.392 0.000 0.210 97 K C 0.247 176.853 176.600 0.010 0.000 1.045 97 K CA 0.829 57.133 56.287 0.028 0.000 0.937 97 K CB -0.458 32.075 32.500 0.054 0.000 0.721 97 K HN 0.423 nan 8.250 nan 0.000 0.438 98 I N 3.469 124.011 120.570 -0.046 0.000 2.943 98 I HA -0.157 4.248 4.170 0.392 0.000 0.296 98 I C 0.314 176.483 176.117 0.087 0.000 1.220 98 I CA 0.418 61.688 61.300 -0.050 0.000 1.409 98 I CB 0.167 38.067 38.000 -0.167 0.000 1.374 98 I HN 0.352 nan 8.210 nan 0.000 0.545 99 Q N 8.584 128.422 119.800 0.063 0.000 2.248 99 Q HA 0.507 5.082 4.340 0.392 0.000 0.263 99 Q C -2.173 173.766 176.000 -0.102 0.000 1.007 99 Q CA -1.862 53.953 55.803 0.019 0.000 0.877 99 Q CB 1.355 30.079 28.738 -0.023 0.000 1.315 99 Q HN 0.376 nan 8.270 nan 0.000 0.454 100 P HA 0.102 nan 4.420 nan 0.000 0.271 100 P C -0.174 176.964 177.300 -0.269 0.000 1.216 100 P CA -0.001 62.671 63.100 -0.713 0.000 0.776 100 P CB 0.641 31.718 31.700 -1.039 0.000 0.881 101 G N 0.654 109.356 108.800 -0.163 0.000 2.547 101 G HA2 0.327 4.522 3.960 0.392 0.000 0.291 101 G HA3 0.327 4.522 3.960 0.392 0.000 0.291 101 G C 0.482 175.403 174.900 0.034 0.000 1.211 101 G CA -0.510 44.569 45.100 -0.036 0.000 0.950 101 G HN 0.442 nan 8.290 nan 0.000 0.504 102 S N -0.448 115.297 115.700 0.076 0.000 2.559 102 S HA 0.171 4.876 4.470 0.392 0.000 0.226 102 S C 0.702 175.360 174.600 0.096 0.000 1.000 102 S CA -0.200 58.077 58.200 0.129 0.000 0.948 102 S CB 0.305 63.536 63.200 0.051 0.000 0.870 102 S HN 0.533 nan 8.310 nan 0.000 0.497 103 Q N 1.039 120.897 119.800 0.097 0.000 2.633 103 Q HA 0.562 5.137 4.340 0.392 0.000 0.208 103 Q C -0.460 175.623 176.000 0.137 0.000 1.010 103 Q CA -0.542 55.315 55.803 0.090 0.000 0.982 103 Q CB 0.338 29.123 28.738 0.078 0.000 1.334 103 Q HN 0.081 nan 8.270 nan 0.000 0.508 104 Q N -0.581 119.304 119.800 0.142 0.000 2.284 104 Q HA 0.746 5.321 4.340 0.392 0.000 0.269 104 Q C -1.457 174.674 176.000 0.218 0.000 1.026 104 Q CA -0.489 55.427 55.803 0.189 0.000 0.831 104 Q CB 2.520 31.369 28.738 0.185 0.000 1.322 104 Q HN 0.681 nan 8.270 nan 0.000 0.419 105 A N 1.548 124.564 122.820 0.327 0.000 2.350 105 A HA 0.514 5.069 4.320 0.392 0.000 0.318 105 A C -0.582 177.197 177.584 0.325 0.000 1.132 105 A CA -0.589 51.641 52.037 0.321 0.000 0.811 105 A CB 1.036 20.268 19.000 0.388 0.000 1.313 105 A HN 0.629 nan 8.150 nan 0.000 0.454 106 D N 0.896 121.398 120.400 0.171 0.000 2.371 106 D HA 0.130 5.005 4.640 0.392 0.000 0.256 106 D C 0.925 177.195 176.300 -0.051 0.000 1.193 106 D CA -0.014 54.048 54.000 0.104 0.000 0.881 106 D CB 0.351 41.154 40.800 0.007 0.000 1.143 106 D HN 0.425 nan 8.370 nan 0.000 0.473 107 F N 3.626 123.492 119.950 -0.141 0.000 2.259 107 F HA -0.016 4.743 4.527 0.387 0.000 0.298 107 F C 1.579 177.167 175.800 -0.353 0.000 1.088 107 F CA 0.429 58.155 58.000 -0.457 0.000 1.358 107 F CB -0.376 38.503 39.000 -0.202 0.000 1.040 107 F HN 0.286 nan 8.300 nan 0.000 0.505 108 L N 0.366 121.059 121.223 -0.884 0.000 2.217 108 L HA -0.112 4.463 4.340 0.392 0.000 0.211 108 L C 1.881 178.623 176.870 -0.213 0.000 1.107 108 L CA 0.989 55.504 54.840 -0.542 0.000 0.783 108 L CB -0.748 41.002 42.059 -0.515 0.000 0.919 108 L HN 0.130 nan 8.230 nan 0.000 0.442 109 D N 0.285 120.583 120.400 -0.170 0.000 2.149 109 D HA -0.094 4.781 4.640 0.392 0.000 0.201 109 D C 2.247 178.572 176.300 0.041 0.000 0.972 109 D CA 1.327 55.343 54.000 0.025 0.000 0.835 109 D CB 0.138 40.921 40.800 -0.028 0.000 0.966 109 D HN 0.242 nan 8.370 nan 0.000 0.476 110 A N 0.828 123.537 122.820 -0.185 0.000 1.902 110 A HA -0.156 4.399 4.320 0.392 0.000 0.217 110 A C 2.146 179.635 177.584 -0.157 0.000 1.181 110 A CA 1.033 52.915 52.037 -0.258 0.000 0.623 110 A CB -0.724 17.768 19.000 -0.845 0.000 0.818 110 A HN 0.256 nan 8.150 nan 0.000 0.443 111 L N 0.010 121.142 121.223 -0.152 0.000 2.012 111 L HA -0.127 4.448 4.340 0.392 0.000 0.210 111 L C 2.229 179.062 176.870 -0.061 0.000 1.073 111 L CA 1.795 56.579 54.840 -0.092 0.000 0.748 111 L CB -0.469 41.556 42.059 -0.056 0.000 0.891 111 L HN 0.441 nan 8.230 nan 0.000 0.431 112 I N -1.609 118.945 120.570 -0.027 0.000 2.226 112 I HA -0.287 4.118 4.170 0.392 0.000 0.245 112 I C 2.285 178.352 176.117 -0.083 0.000 1.100 112 I CA 1.139 62.432 61.300 -0.011 0.000 1.374 112 I CB -0.281 37.777 38.000 0.098 0.000 1.057 112 I HN 0.088 nan 8.210 nan 0.000 0.413 113 V N -0.126 119.726 119.914 -0.103 0.000 2.515 113 V HA -0.232 4.123 4.120 0.392 0.000 0.250 113 V C 2.448 178.481 176.094 -0.102 0.000 1.058 113 V CA 1.906 64.117 62.300 -0.149 0.000 1.064 113 V CB -0.340 31.416 31.823 -0.112 0.000 0.675 113 V HN 0.369 nan 8.190 nan 0.000 0.461 114 S N -0.402 115.251 115.700 -0.079 0.000 2.368 114 S HA -0.122 4.584 4.470 0.392 0.000 0.224 114 S C 1.934 176.492 174.600 -0.070 0.000 1.029 114 S CA 1.573 59.729 58.200 -0.073 0.000 0.988 114 S CB -0.279 62.873 63.200 -0.079 0.000 0.838 114 S HN 0.485 nan 8.310 nan 0.000 0.462 115 M N 0.921 120.484 119.600 -0.062 0.000 2.229 115 M HA -0.131 4.584 4.480 0.392 0.000 0.264 115 M C 1.959 178.246 176.300 -0.023 0.000 1.063 115 M CA 1.330 56.605 55.300 -0.041 0.000 1.114 115 M CB -0.474 32.110 32.600 -0.026 0.000 1.387 115 M HN 0.209 nan 8.290 nan 0.000 0.420 116 D N 0.139 120.512 120.400 -0.045 0.000 2.097 116 D HA -0.136 4.739 4.640 0.392 0.000 0.195 116 D C 1.800 178.102 176.300 0.002 0.000 0.989 116 D CA 1.179 55.158 54.000 -0.035 0.000 0.827 116 D CB 0.178 40.885 40.800 -0.156 0.000 0.966 116 D HN 0.045 nan 8.370 nan 0.000 0.456 117 V N 0.635 120.530 119.914 -0.032 0.000 2.282 117 V HA -0.257 4.098 4.120 0.392 0.000 0.249 117 V C 2.500 178.601 176.094 0.011 0.000 1.057 117 V CA 1.488 63.786 62.300 -0.003 0.000 1.032 117 V CB -0.454 31.348 31.823 -0.036 0.000 0.645 117 V HN 0.344 nan 8.190 nan 0.000 0.447 118 I N -0.542 120.013 120.570 -0.024 0.000 2.315 118 I HA -0.267 4.138 4.170 0.392 0.000 0.248 118 I C 2.638 178.752 176.117 -0.006 0.000 1.117 118 I CA 1.463 62.733 61.300 -0.052 0.000 1.404 118 I CB -0.302 37.655 38.000 -0.072 0.000 1.071 118 I HN 0.411 nan 8.210 nan 0.000 0.419 119 Q N -0.553 119.273 119.800 0.044 0.000 2.137 119 Q HA -0.170 4.405 4.340 0.392 0.000 0.198 119 Q C 1.834 177.876 176.000 0.069 0.000 0.960 119 Q CA 1.196 57.037 55.803 0.064 0.000 0.847 119 Q CB -0.007 28.789 28.738 0.097 0.000 0.915 119 Q HN 0.556 nan 8.270 nan 0.000 0.448 120 H N -0.200 118.866 119.070 -0.006 0.000 2.562 120 H HA 0.089 4.879 4.556 0.390 0.000 0.267 120 H C 0.946 176.283 175.328 0.016 0.000 0.959 120 H CA 0.743 56.793 56.048 0.004 0.000 1.204 120 H CB 0.609 30.372 29.762 0.001 0.000 1.430 120 H HN 0.232 nan 8.280 nan 0.000 0.545 121 E N -0.905 119.369 120.200 0.122 0.000 2.465 121 E HA -0.003 4.582 4.350 0.392 0.000 0.209 121 E C 1.245 177.902 176.600 0.096 0.000 0.951 121 E CA 0.795 57.252 56.400 0.094 0.000 0.997 121 E CB 0.594 30.348 29.700 0.090 0.000 1.025 121 E HN 0.380 nan 8.360 nan 0.000 0.500 122 T N -0.209 114.387 114.554 0.071 0.000 3.160 122 T HA 0.068 4.653 4.350 0.392 0.000 0.257 122 T C 1.037 175.862 174.700 0.209 0.000 1.147 122 T CA -0.285 61.916 62.100 0.170 0.000 1.064 122 T CB -0.470 68.427 68.868 0.048 0.000 0.949 122 T HN 0.098 nan 8.240 nan 0.000 0.526 123 I N 1.996 122.632 120.570 0.110 0.000 3.045 123 I HA 0.126 4.531 4.170 0.392 0.000 0.306 123 I C 1.529 177.687 176.117 0.069 0.000 1.232 123 I CA 1.717 63.055 61.300 0.063 0.000 1.415 123 I CB -0.534 37.483 38.000 0.028 0.000 1.364 123 I HN 0.594 nan 8.210 nan 0.000 0.538 124 G N 6.328 115.157 108.800 0.048 0.000 2.779 124 G HA2 -0.355 3.840 3.960 0.392 0.000 0.230 124 G HA3 -0.355 3.840 3.960 0.392 0.000 0.230 124 G C 0.531 175.439 174.900 0.013 0.000 1.243 124 G CA 0.388 45.503 45.100 0.024 0.000 0.769 124 G HN 0.656 nan 8.290 nan 0.000 0.516 125 K N 1.389 121.809 120.400 0.034 0.000 2.485 125 K HA 0.261 4.816 4.320 0.392 0.000 0.277 125 K C 0.378 176.894 176.600 -0.140 0.000 0.990 125 K CA 0.281 56.515 56.287 -0.088 0.000 0.994 125 K CB 0.659 33.124 32.500 -0.058 0.000 0.906 125 K HN 0.363 nan 8.250 nan 0.000 0.488 126 K N 3.636 123.856 120.400 -0.299 0.000 2.264 126 K HA 0.200 4.755 4.320 0.392 0.000 0.277 126 K C -1.359 175.016 176.600 -0.375 0.000 1.067 126 K CA -0.313 55.850 56.287 -0.207 0.000 0.900 126 K CB 0.365 32.781 32.500 -0.140 0.000 1.124 126 K HN 0.309 nan 8.250 nan 0.000 0.469 127 F N 2.411 122.363 119.950 0.003 0.000 2.467 127 F HA 0.184 4.953 4.527 0.402 0.000 0.336 127 F C 1.377 177.180 175.800 0.005 0.000 1.123 127 F CA -0.638 57.368 58.000 0.010 0.000 0.964 127 F CB 1.890 40.904 39.000 0.023 0.000 1.136 127 F HN 0.646 nan 8.300 nan 0.000 0.447 128 E N 2.322 122.621 120.200 0.166 0.000 2.152 128 E HA -0.015 4.570 4.350 0.392 0.000 0.192 128 E C -0.217 176.443 176.600 0.100 0.000 0.983 128 E CA 1.019 57.468 56.400 0.080 0.000 0.818 128 E CB 0.430 30.142 29.700 0.020 0.000 0.758 128 E HN 0.543 nan 8.360 nan 0.000 0.467 129 K N -0.107 120.386 120.400 0.155 0.000 2.464 129 K HA 0.445 5.000 4.320 0.392 0.000 0.253 129 K C -1.194 175.471 176.600 0.108 0.000 0.933 129 K CA -0.644 55.717 56.287 0.122 0.000 0.801 129 K CB 2.234 34.803 32.500 0.115 0.000 1.271 129 K HN -0.141 nan 8.250 nan 0.000 0.430 130 R N 1.554 122.097 120.500 0.073 0.000 2.480 130 R HA 0.393 4.968 4.340 0.392 0.000 0.306 130 R C -1.187 175.179 176.300 0.109 0.000 0.958 130 R CA -0.853 55.259 56.100 0.020 0.000 0.861 130 R CB 1.373 31.663 30.300 -0.016 0.000 1.171 130 R HN 0.547 nan 8.270 nan 0.000 0.445 131 H N 1.914 120.962 119.070 -0.036 0.000 2.930 131 H HA 0.554 5.047 4.556 -0.104 0.000 0.371 131 H C -1.365 173.927 175.328 -0.060 0.000 1.169 131 H CA -0.576 55.456 56.048 -0.027 0.000 1.157 131 H CB 1.279 31.049 29.762 0.013 0.000 1.789 131 H HN 0.472 nan 8.280 nan 0.000 0.547 132 I N 3.362 123.544 120.570 -0.647 0.000 2.466 132 I HA 0.265 4.670 4.170 0.392 0.000 0.289 132 I C -0.737 174.958 176.117 -0.703 0.000 1.026 132 I CA -0.534 60.458 61.300 -0.513 0.000 1.078 132 I CB 2.063 39.875 38.000 -0.313 0.000 1.249 132 I HN 0.529 nan 8.210 nan 0.000 0.429 133 E N 6.789 126.715 120.200 -0.457 0.000 2.165 133 E HA 0.555 5.140 4.350 0.392 0.000 0.266 133 E C -1.067 175.318 176.600 -0.358 0.000 0.889 133 E CA -0.560 55.611 56.400 -0.380 0.000 0.756 133 E CB 2.556 32.094 29.700 -0.270 0.000 1.131 133 E HN 0.425 nan 8.360 nan 0.000 0.411 134 I N 3.315 123.576 120.570 -0.514 0.000 2.377 134 I HA 0.340 4.745 4.170 0.392 0.000 0.293 134 I C -0.816 175.112 176.117 -0.315 0.000 0.987 134 I CA -0.754 60.360 61.300 -0.310 0.000 1.185 134 I CB 0.757 38.500 38.000 -0.429 0.000 1.341 134 I HN 0.385 nan 8.210 nan 0.000 0.455 135 F N 3.997 124.071 119.950 0.207 0.000 2.434 135 F HA 0.553 5.307 4.527 0.379 0.000 0.355 135 F C 0.319 176.268 175.800 0.249 0.000 1.115 135 F CA -0.532 57.649 58.000 0.302 0.000 1.010 135 F CB 1.738 40.815 39.000 0.129 0.000 1.234 135 F HN 0.329 nan 8.300 nan 0.000 0.439 136 T N 0.210 114.982 114.554 0.363 0.000 2.787 136 T HA 0.331 4.916 4.350 0.392 0.000 0.297 136 T C -0.492 174.271 174.700 0.105 0.000 1.221 136 T CA -0.589 61.641 62.100 0.216 0.000 1.006 136 T CB 1.465 70.472 68.868 0.231 0.000 1.328 136 T HN 0.553 nan 8.240 nan 0.000 0.509 137 D N 1.163 121.610 120.400 0.080 0.000 2.431 137 D HA 0.189 5.064 4.640 0.392 0.000 0.213 137 D C 1.270 177.615 176.300 0.076 0.000 1.130 137 D CA -0.127 53.910 54.000 0.063 0.000 0.834 137 D CB -0.627 40.245 40.800 0.121 0.000 0.985 137 D HN 0.625 nan 8.370 nan 0.000 0.504 138 L N 0.970 122.187 121.223 -0.010 0.000 3.858 138 L HA -0.311 4.264 4.340 0.392 0.000 0.425 138 L C 1.657 178.600 176.870 0.122 0.000 1.177 138 L CA 0.600 55.416 54.840 -0.040 0.000 0.943 138 L CB -2.244 39.760 42.059 -0.092 0.000 1.861 138 L HN 0.280 nan 8.230 nan 0.000 0.985 139 S N -3.043 112.749 115.700 0.152 0.000 2.387 139 S HA 0.007 4.712 4.470 0.392 0.000 0.226 139 S C 0.980 175.700 174.600 0.200 0.000 1.026 139 S CA 0.787 59.086 58.200 0.165 0.000 0.972 139 S CB 0.214 63.503 63.200 0.150 0.000 0.814 139 S HN 0.458 nan 8.310 nan 0.000 0.477 140 S N 0.933 116.786 115.700 0.255 0.000 2.722 140 S HA 0.528 5.233 4.470 0.392 0.000 0.292 140 S C -0.046 174.780 174.600 0.377 0.000 1.135 140 S CA -0.951 57.414 58.200 0.276 0.000 1.003 140 S CB 0.931 64.290 63.200 0.265 0.000 1.067 140 S HN 0.359 nan 8.310 nan 0.000 0.546 141 R N 0.264 120.929 120.500 0.275 0.000 2.679 141 R HA 0.519 5.094 4.340 0.392 0.000 0.269 141 R C -0.675 175.822 176.300 0.329 0.000 1.076 141 R CA 0.094 56.325 56.100 0.219 0.000 1.160 141 R CB 0.202 30.542 30.300 0.066 0.000 1.054 141 R HN 0.672 nan 8.270 nan 0.000 0.507 142 F N -2.845 117.134 119.950 0.048 0.000 2.773 142 F HA 0.388 5.156 4.527 0.401 0.000 0.314 142 F C -0.848 174.910 175.800 -0.070 0.000 1.160 142 F CA -1.228 56.755 58.000 -0.027 0.000 0.920 142 F CB 1.264 40.213 39.000 -0.085 0.000 1.323 142 F HN 0.334 nan 8.300 nan 0.000 0.457 143 S N -0.001 115.668 115.700 -0.052 0.000 2.610 143 S HA 0.483 5.188 4.470 0.392 0.000 0.273 143 S C -0.047 174.515 174.600 -0.063 0.000 1.274 143 S CA -0.585 57.536 58.200 -0.132 0.000 1.023 143 S CB 1.108 64.257 63.200 -0.085 0.000 0.962 143 S HN 0.743 nan 8.310 nan 0.000 0.523 144 K N 1.430 121.765 120.400 -0.108 0.000 2.438 144 K HA 0.132 4.687 4.320 0.392 0.000 0.205 144 K C 1.434 178.022 176.600 -0.020 0.000 1.033 144 K CA 0.118 56.390 56.287 -0.024 0.000 1.089 144 K CB 0.448 32.913 32.500 -0.057 0.000 0.857 144 K HN 0.618 nan 8.250 nan 0.000 0.522 145 S N 0.429 116.107 115.700 -0.036 0.000 2.453 145 S HA -0.089 4.616 4.470 0.392 0.000 0.231 145 S C 1.419 176.010 174.600 -0.014 0.000 1.005 145 S CA 0.619 58.801 58.200 -0.029 0.000 0.949 145 S CB 0.080 63.256 63.200 -0.040 0.000 0.774 145 S HN 0.154 nan 8.310 nan 0.000 0.510 146 Q N 0.545 120.340 119.800 -0.007 0.000 2.220 146 Q HA 0.394 4.969 4.340 0.392 0.000 0.205 146 Q C 1.655 177.665 176.000 0.017 0.000 0.865 146 Q CA -0.140 55.667 55.803 0.006 0.000 0.960 146 Q CB -0.225 28.519 28.738 0.011 0.000 1.097 146 Q HN 0.506 nan 8.270 nan 0.000 0.493 147 L N 0.789 122.023 121.223 0.019 0.000 1.971 147 L HA -0.256 4.319 4.340 0.392 0.000 0.215 147 L C 1.658 178.552 176.870 0.039 0.000 1.072 147 L CA 1.610 56.469 54.840 0.031 0.000 0.758 147 L CB -0.336 41.745 42.059 0.036 0.000 0.889 147 L HN 0.199 nan 8.230 nan 0.000 0.433 148 D N -0.093 120.326 120.400 0.032 0.000 2.144 148 D HA -0.160 4.715 4.640 0.392 0.000 0.199 148 D C 2.259 178.595 176.300 0.060 0.000 0.984 148 D CA 1.253 55.278 54.000 0.041 0.000 0.834 148 D CB -0.038 40.773 40.800 0.019 0.000 0.955 148 D HN 0.378 nan 8.370 nan 0.000 0.465 149 I N 0.981 121.575 120.570 0.039 0.000 2.179 149 I HA -0.238 4.167 4.170 0.392 0.000 0.242 149 I C 2.510 178.680 176.117 0.088 0.000 1.088 149 I CA 0.773 62.102 61.300 0.049 0.000 1.357 149 I CB -0.091 37.927 38.000 0.031 0.000 1.051 149 I HN -0.061 nan 8.210 nan 0.000 0.409 150 I N 0.609 121.218 120.570 0.065 0.000 2.179 150 I HA -0.327 4.078 4.170 0.392 0.000 0.242 150 I C 2.452 178.611 176.117 0.070 0.000 1.088 150 I CA 1.688 63.024 61.300 0.059 0.000 1.357 150 I CB -0.275 37.749 38.000 0.041 0.000 1.051 150 I HN 0.169 nan 8.210 nan 0.000 0.409 151 I N -0.188 120.429 120.570 0.078 0.000 2.315 151 I HA -0.327 4.078 4.170 0.392 0.000 0.248 151 I C 2.698 178.865 176.117 0.082 0.000 1.117 151 I CA 1.297 62.641 61.300 0.073 0.000 1.404 151 I CB -0.773 37.269 38.000 0.069 0.000 1.071 151 I HN 0.402 nan 8.210 nan 0.000 0.419 152 H N 0.926 120.007 119.070 0.019 0.000 2.387 152 H HA -0.114 4.677 4.556 0.393 0.000 0.299 152 H C 2.221 177.559 175.328 0.016 0.000 1.090 152 H CA 1.835 57.893 56.048 0.017 0.000 1.332 152 H CB 0.352 30.123 29.762 0.015 0.000 1.386 152 H HN 0.207 nan 8.280 nan 0.000 0.516 153 S N 0.365 116.124 115.700 0.099 0.000 2.414 153 S HA 0.014 4.719 4.470 0.392 0.000 0.227 153 S C 2.479 177.073 174.600 -0.010 0.000 1.022 153 S CA 0.312 58.538 58.200 0.043 0.000 0.958 153 S CB 0.074 63.323 63.200 0.082 0.000 0.797 153 S HN 0.303 nan 8.310 nan 0.000 0.493 154 L N 1.207 122.431 121.223 0.001 0.000 2.056 154 L HA -0.093 4.482 4.340 0.392 0.000 0.207 154 L C 2.422 179.279 176.870 -0.021 0.000 1.078 154 L CA 1.231 56.069 54.840 -0.003 0.000 0.749 154 L CB -0.393 41.674 42.059 0.014 0.000 0.901 154 L HN 0.237 nan 8.230 nan 0.000 0.433 155 K N -0.251 120.122 120.400 -0.045 0.000 2.025 155 K HA -0.120 4.435 4.320 0.392 0.000 0.207 155 K C 2.169 178.713 176.600 -0.093 0.000 1.049 155 K CA 0.885 57.135 56.287 -0.061 0.000 0.933 155 K CB -0.027 32.431 32.500 -0.071 0.000 0.714 155 K HN 0.092 nan 8.250 nan 0.000 0.438 156 K N 0.495 120.793 120.400 -0.169 0.000 2.147 156 K HA -0.079 4.476 4.320 0.392 0.000 0.205 156 K C 1.888 178.444 176.600 -0.073 0.000 1.049 156 K CA 0.999 57.191 56.287 -0.159 0.000 0.936 156 K CB -0.246 32.099 32.500 -0.258 0.000 0.722 156 K HN 0.201 nan 8.250 nan 0.000 0.446 157 C N 0.786 120.057 119.300 -0.049 0.000 2.697 157 C HA 0.075 4.770 4.460 0.392 0.000 0.267 157 C C 0.188 175.175 174.990 -0.005 0.000 1.278 157 C CA -0.826 58.181 59.018 -0.018 0.000 1.708 157 C CB -1.244 26.491 27.740 -0.007 0.000 1.860 157 C HN 0.544 nan 8.230 nan 0.000 0.589 158 D N 0.941 121.335 120.400 -0.010 0.000 2.803 158 D HA -0.180 4.695 4.640 0.392 0.000 0.233 158 D C -0.537 175.777 176.300 0.023 0.000 1.182 158 D CA 0.533 54.537 54.000 0.007 0.000 0.726 158 D CB -0.907 39.900 40.800 0.011 0.000 0.987 158 D HN 0.539 nan 8.370 nan 0.000 0.412 159 I N 1.105 121.688 120.570 0.022 0.000 2.406 159 I HA 0.281 4.686 4.170 0.392 0.000 0.290 159 I C 0.806 176.958 176.117 0.058 0.000 0.999 159 I CA -0.857 60.463 61.300 0.033 0.000 1.124 159 I CB 1.743 39.744 38.000 0.002 0.000 1.289 159 I HN 0.213 nan 8.210 nan 0.000 0.441 160 S N 6.507 122.286 115.700 0.132 0.000 2.693 160 S HA 0.799 5.504 4.470 0.392 0.000 0.276 160 S C -0.727 173.971 174.600 0.164 0.000 1.192 160 S CA -0.681 57.634 58.200 0.192 0.000 0.994 160 S CB 2.259 65.609 63.200 0.251 0.000 1.012 160 S HN 0.441 nan 8.310 nan 0.000 0.550 161 L N 0.306 121.598 121.223 0.115 0.000 2.424 161 L HA 0.604 5.179 4.340 0.392 0.000 0.258 161 L C -1.172 175.690 176.870 -0.013 0.000 0.995 161 L CA -0.196 54.587 54.840 -0.094 0.000 0.821 161 L CB 2.193 44.196 42.059 -0.093 0.000 1.383 161 L HN 0.965 nan 8.230 nan 0.000 0.410 162 Q N 2.109 121.766 119.800 -0.239 0.000 2.377 162 Q HA 0.567 5.142 4.340 0.392 0.000 0.279 162 Q C -1.874 173.787 176.000 -0.565 0.000 1.049 162 Q CA -0.498 55.183 55.803 -0.203 0.000 0.825 162 Q CB 2.851 31.597 28.738 0.013 0.000 1.401 162 Q HN 0.434 nan 8.270 nan 0.000 0.404 163 F N 1.044 120.646 119.950 -0.581 0.000 2.522 163 F HA 0.629 5.420 4.527 0.441 0.000 0.324 163 F C -0.768 174.450 175.800 -0.970 0.000 1.077 163 F CA -0.588 57.060 58.000 -0.587 0.000 0.944 163 F CB 1.299 40.054 39.000 -0.408 0.000 1.175 163 F HN 0.367 nan 8.300 nan 0.000 0.468 164 F N 3.529 123.337 119.950 -0.238 0.000 2.539 164 F HA 0.630 5.283 4.527 0.211 0.000 0.328 164 F C -0.742 174.684 175.800 -0.625 0.000 1.148 164 F CA -0.705 57.103 58.000 -0.320 0.000 0.940 164 F CB 1.244 40.106 39.000 -0.229 0.000 1.194 164 F HN 0.093 nan 8.300 nan 0.000 0.438 165 L N 3.500 124.170 121.223 -0.921 0.000 2.256 165 L HA 0.598 5.173 4.340 0.392 0.000 0.261 165 L C -1.914 173.941 176.870 -1.691 0.000 1.022 165 L CA -2.142 51.926 54.840 -1.286 0.000 0.828 165 L CB 1.922 43.221 42.059 -1.266 0.000 1.374 165 L HN 0.189 nan 8.230 nan 0.000 0.436 166 P HA -0.011 nan 4.420 nan 0.000 0.229 166 P C -0.653 176.172 177.300 -0.793 0.000 1.160 166 P CA 0.914 63.634 63.100 -0.633 0.000 0.777 166 P CB 0.075 31.657 31.700 -0.198 0.000 0.814 167 F N -3.105 116.478 119.950 -0.611 0.000 2.546 167 F HA 0.699 5.469 4.527 0.404 0.000 0.320 167 F C 0.241 175.884 175.800 -0.261 0.000 1.076 167 F CA -1.714 55.965 58.000 -0.536 0.000 0.928 167 F CB 0.432 39.226 39.000 -0.342 0.000 1.189 167 F HN -0.466 nan 8.300 nan 0.000 0.465 168 S N 1.392 117.146 115.700 0.090 0.000 2.600 168 S HA 0.212 4.917 4.470 0.392 0.000 0.265 168 S C 0.567 175.235 174.600 0.113 0.000 1.325 168 S CA -0.476 57.767 58.200 0.072 0.000 1.002 168 S CB 1.228 64.510 63.200 0.137 0.000 0.921 168 S HN 0.783 nan 8.310 nan 0.000 0.554 169 L N 0.962 122.197 121.223 0.021 0.000 2.556 169 L HA 0.451 5.026 4.340 0.392 0.000 0.226 169 L C 0.673 177.551 176.870 0.013 0.000 1.089 169 L CA 0.830 55.676 54.840 0.010 0.000 0.864 169 L CB -0.189 41.818 42.059 -0.087 0.000 1.067 169 L HN 0.729 nan 8.230 nan 0.000 0.477 182 P HA 0.268 nan 4.420 nan 0.000 0.258 182 P C -0.918 176.451 177.300 0.116 0.000 1.172 182 P CA 0.117 63.258 63.100 0.069 0.000 0.762 182 P CB 0.160 31.882 31.700 0.037 0.000 0.764 183 F N 4.566 124.519 119.950 0.006 0.000 2.411 183 F HA 0.343 5.102 4.527 0.388 0.000 0.350 183 F C 0.394 176.239 175.800 0.076 0.000 1.114 183 F CA -0.567 57.455 58.000 0.037 0.000 1.135 183 F CB 0.753 39.782 39.000 0.048 0.000 1.120 183 F HN 0.167 nan 8.300 nan 0.000 0.495 184 R N 7.408 127.500 120.500 -0.679 0.000 2.388 184 R HA 0.296 4.871 4.340 0.392 0.000 0.314 184 R C -1.347 174.514 176.300 -0.731 0.000 0.959 184 R CA -1.287 54.510 56.100 -0.505 0.000 0.851 184 R CB 1.714 31.900 30.300 -0.190 0.000 1.168 184 R HN 0.657 nan 8.270 nan 0.000 0.472 185 L N 2.431 123.296 121.223 -0.597 0.000 2.584 185 L HA 0.101 4.676 4.340 0.392 0.000 0.272 185 L C 1.215 178.042 176.870 -0.072 0.000 1.195 185 L CA 1.844 56.508 54.840 -0.294 0.000 0.920 185 L CB 0.337 42.395 42.059 -0.001 0.000 1.173 185 L HN 1.010 nan 8.230 nan 0.000 0.489 186 G N 2.499 111.279 108.800 -0.034 0.000 2.179 186 G HA2 -0.231 3.964 3.960 0.392 0.000 0.260 186 G HA3 -0.231 3.964 3.960 0.392 0.000 0.260 186 G C 0.593 175.467 174.900 -0.044 0.000 0.977 186 G CA 0.193 45.308 45.100 0.026 0.000 0.641 186 G HN 1.183 nan 8.290 nan 0.000 0.533 187 G N -1.249 107.501 108.800 -0.083 0.000 2.588 187 G HA2 0.503 4.698 3.960 0.392 0.000 0.278 187 G HA3 0.503 4.698 3.960 0.392 0.000 0.278 187 G C -0.391 174.435 174.900 -0.124 0.000 1.307 187 G CA -0.454 44.618 45.100 -0.046 0.000 1.016 187 G HN 0.428 nan 8.290 nan 0.000 0.503 188 H N -0.083 119.037 119.070 0.082 0.000 2.725 188 H HA 0.453 5.245 4.556 0.393 0.000 0.283 188 H C 0.780 176.153 175.328 0.075 0.000 1.110 188 H CA 0.390 56.507 56.048 0.115 0.000 1.289 188 H CB 1.050 30.908 29.762 0.159 0.000 1.400 188 H HN 0.826 nan 8.280 nan 0.000 0.493 189 G N 4.010 112.909 108.800 0.165 0.000 3.819 189 G HA2 -0.138 4.057 3.960 0.392 0.000 0.210 189 G HA3 -0.138 4.057 3.960 0.392 0.000 0.210 189 G C -1.879 173.098 174.900 0.128 0.000 1.018 189 G CA -0.483 44.695 45.100 0.131 0.000 0.882 189 G HN 0.463 nan 8.290 nan 0.000 0.377 190 P HA 0.518 nan 4.420 nan 0.000 0.272 190 P C -0.607 176.840 177.300 0.245 0.000 1.223 190 P CA 0.712 63.928 63.100 0.193 0.000 0.784 190 P CB 1.451 33.340 31.700 0.316 0.000 0.923 191 S N 0.714 116.540 115.700 0.210 0.000 2.479 191 S HA 0.288 4.993 4.470 0.392 0.000 0.169 191 S C -0.498 174.259 174.600 0.261 0.000 1.181 191 S CA -0.865 57.494 58.200 0.264 0.000 1.169 191 S CB -0.953 62.345 63.200 0.163 0.000 1.384 191 S HN 0.109 nan 8.310 nan 0.000 0.412 192 F N 2.590 122.598 119.950 0.097 0.000 2.477 192 F HA 0.220 4.986 4.527 0.398 0.000 0.392 192 F C -1.896 173.908 175.800 0.008 0.000 1.028 192 F CA -1.023 57.007 58.000 0.051 0.000 1.069 192 F CB -0.815 38.232 39.000 0.077 0.000 0.970 192 F HN 0.306 nan 8.300 nan 0.000 0.540 193 P HA -0.006 nan 4.420 nan 0.000 0.265 193 P C 0.879 178.168 177.300 -0.019 0.000 1.193 193 P CA -0.013 63.110 63.100 0.038 0.000 0.765 193 P CB 0.570 32.273 31.700 0.006 0.000 0.823 194 L N 2.326 123.518 121.223 -0.051 0.000 2.651 194 L HA -0.144 4.431 4.340 0.392 0.000 0.236 194 L C 1.933 178.722 176.870 -0.134 0.000 1.173 194 L CA 1.212 55.965 54.840 -0.144 0.000 0.843 194 L CB -0.636 41.363 42.059 -0.099 0.000 0.964 194 L HN 0.534 nan 8.230 nan 0.000 0.454 195 K N 0.473 120.824 120.400 -0.082 0.000 2.308 195 K HA 0.014 4.569 4.320 0.392 0.000 0.197 195 K C 1.957 178.518 176.600 -0.064 0.000 1.049 195 K CA 0.658 56.907 56.287 -0.064 0.000 0.991 195 K CB 0.171 32.649 32.500 -0.037 0.000 0.836 195 K HN 0.234 nan 8.250 nan 0.000 0.500 196 G N 2.115 110.878 108.800 -0.061 0.000 2.598 196 G HA2 0.012 4.207 3.960 0.392 0.000 0.215 196 G HA3 0.012 4.207 3.960 0.392 0.000 0.215 196 G C 0.817 175.678 174.900 -0.065 0.000 1.131 196 G CA 0.178 45.255 45.100 -0.039 0.000 0.785 196 G HN 0.402 nan 8.290 nan 0.000 0.539 197 I N 0.042 120.517 120.570 -0.157 0.000 2.662 197 I HA 0.486 4.891 4.170 0.392 0.000 0.291 197 I C 0.892 176.941 176.117 -0.114 0.000 1.046 197 I CA -0.895 60.279 61.300 -0.210 0.000 1.361 197 I CB 0.785 38.486 38.000 -0.498 0.000 1.429 197 I HN -0.000 nan 8.210 nan 0.000 0.558 198 T N 0.864 115.381 114.554 -0.063 0.000 2.667 198 T HA 0.115 4.700 4.350 0.392 0.000 0.305 198 T C 0.887 175.574 174.700 -0.022 0.000 1.022 198 T CA -0.244 61.844 62.100 -0.020 0.000 0.995 198 T CB 0.747 69.627 68.868 0.019 0.000 1.026 198 T HN 0.701 nan 8.240 nan 0.000 0.527 199 E N -0.208 119.992 120.200 0.000 0.000 2.158 199 E HA -0.093 4.492 4.350 0.392 0.000 0.191 199 E C 2.148 178.767 176.600 0.031 0.000 0.982 199 E CA 0.827 57.230 56.400 0.005 0.000 0.823 199 E CB -0.338 29.366 29.700 0.007 0.000 0.766 199 E HN 0.728 nan 8.360 nan 0.000 0.468 200 Q N 1.386 121.218 119.800 0.053 0.000 2.084 200 Q HA -0.144 4.431 4.340 0.392 0.000 0.202 200 Q C 1.946 178.023 176.000 0.128 0.000 0.978 200 Q CA 1.617 57.481 55.803 0.101 0.000 0.844 200 Q CB -0.120 28.689 28.738 0.118 0.000 0.898 200 Q HN 0.268 nan 8.270 nan 0.000 0.426 201 Q N -0.416 119.433 119.800 0.081 0.000 2.170 201 Q HA -0.129 4.446 4.340 0.392 0.000 0.203 201 Q C 1.921 177.942 176.000 0.036 0.000 0.976 201 Q CA 1.353 57.198 55.803 0.071 0.000 0.858 201 Q CB 0.013 28.752 28.738 0.002 0.000 0.907 201 Q HN 0.323 nan 8.270 nan 0.000 0.433 202 K N 0.436 120.835 120.400 -0.001 0.000 2.148 202 K HA -0.161 4.394 4.320 0.392 0.000 0.204 202 K C 1.933 178.558 176.600 0.042 0.000 1.050 202 K CA 0.989 57.268 56.287 -0.012 0.000 0.942 202 K CB 0.065 32.547 32.500 -0.030 0.000 0.724 202 K HN 0.223 nan 8.250 nan 0.000 0.446 203 E N 0.351 120.603 120.200 0.088 0.000 2.028 203 E HA -0.129 4.456 4.350 0.392 0.000 0.190 203 E C 2.121 178.864 176.600 0.239 0.000 0.984 203 E CA 1.153 57.634 56.400 0.136 0.000 0.800 203 E CB -0.138 29.641 29.700 0.131 0.000 0.758 203 E HN 0.324 nan 8.360 nan 0.000 0.448 204 G N 1.585 110.574 108.800 0.314 0.000 2.469 204 G HA2 -0.282 3.913 3.960 0.392 0.000 0.219 204 G HA3 -0.282 3.913 3.960 0.392 0.000 0.219 204 G C 1.522 176.461 174.900 0.066 0.000 1.150 204 G CA 0.967 46.247 45.100 0.299 0.000 0.763 204 G HN 0.307 nan 8.290 nan 0.000 0.561 205 L N 0.433 121.678 121.223 0.036 0.000 2.083 205 L HA 0.044 4.619 4.340 0.392 0.000 0.209 205 L C 2.581 179.425 176.870 -0.043 0.000 1.083 205 L CA 1.718 56.540 54.840 -0.029 0.000 0.752 205 L CB -0.368 41.715 42.059 0.040 0.000 0.899 205 L HN 0.094 nan 8.230 nan 0.000 0.433 206 E N -0.190 120.019 120.200 0.015 0.000 2.077 206 E HA -0.179 4.406 4.350 0.392 0.000 0.193 206 E C 2.265 178.873 176.600 0.014 0.000 0.989 206 E CA 1.174 57.580 56.400 0.011 0.000 0.800 206 E CB -0.212 29.507 29.700 0.033 0.000 0.746 206 E HN 0.431 nan 8.360 nan 0.000 0.452 207 I N 0.590 121.204 120.570 0.074 0.000 2.252 207 I HA -0.193 4.212 4.170 0.392 0.000 0.245 207 I C 2.504 178.608 176.117 -0.023 0.000 1.102 207 I CA 0.719 62.076 61.300 0.096 0.000 1.385 207 I CB -1.229 36.939 38.000 0.279 0.000 1.064 207 I HN -0.061 nan 8.210 nan 0.000 0.414 208 V N 1.104 120.924 119.914 -0.157 0.000 2.332 208 V HA -0.281 4.074 4.120 0.392 0.000 0.248 208 V C 2.562 178.456 176.094 -0.335 0.000 1.055 208 V CA 1.696 63.707 62.300 -0.482 0.000 1.038 208 V CB -0.686 30.626 31.823 -0.851 0.000 0.651 208 V HN 0.397 nan 8.190 nan 0.000 0.450 209 K N -0.633 119.643 120.400 -0.206 0.000 2.026 209 K HA -0.160 4.395 4.320 0.392 0.000 0.208 209 K C 2.201 178.754 176.600 -0.078 0.000 1.048 209 K CA 1.750 57.956 56.287 -0.135 0.000 0.929 209 K CB -0.271 32.176 32.500 -0.088 0.000 0.713 209 K HN 0.402 nan 8.250 nan 0.000 0.439 210 M N 0.393 119.965 119.600 -0.047 0.000 2.080 210 M HA -0.190 4.525 4.480 0.392 0.000 0.260 210 M C 2.277 178.574 176.300 -0.004 0.000 1.068 210 M CA 1.439 56.730 55.300 -0.014 0.000 1.109 210 M CB -0.464 32.141 32.600 0.008 0.000 1.342 210 M HN -0.059 nan 8.290 nan 0.000 0.405 211 V N 0.454 120.367 119.914 -0.003 0.000 2.255 211 V HA -0.297 4.058 4.120 0.392 0.000 0.247 211 V C 2.564 178.682 176.094 0.041 0.000 1.051 211 V CA 1.673 63.994 62.300 0.035 0.000 1.018 211 V CB -0.588 31.279 31.823 0.073 0.000 0.641 211 V HN 0.477 nan 8.190 nan 0.000 0.445 212 M N -1.016 118.593 119.600 0.014 0.000 2.213 212 M HA -0.102 4.613 4.480 0.392 0.000 0.263 212 M C 2.094 178.399 176.300 0.008 0.000 1.062 212 M CA 1.708 57.023 55.300 0.024 0.000 1.105 212 M CB -1.109 31.480 32.600 -0.018 0.000 1.385 212 M HN 0.304 nan 8.290 nan 0.000 0.417 213 I N -0.712 119.854 120.570 -0.006 0.000 2.439 213 I HA -0.208 4.198 4.170 0.392 0.000 0.251 213 I C 2.182 178.305 176.117 0.010 0.000 1.139 213 I CA 0.683 61.981 61.300 -0.003 0.000 1.438 213 I CB -0.212 37.782 38.000 -0.011 0.000 1.085 213 I HN 0.197 nan 8.210 nan 0.000 0.427 214 S N 0.877 116.587 115.700 0.017 0.000 2.368 214 S HA -0.047 4.658 4.470 0.392 0.000 0.224 214 S C 1.962 176.578 174.600 0.027 0.000 1.029 214 S CA 1.125 59.339 58.200 0.023 0.000 0.988 214 S CB -0.207 63.011 63.200 0.030 0.000 0.838 214 S HN 0.331 nan 8.310 nan 0.000 0.462 215 L N 0.753 121.996 121.223 0.034 0.000 2.131 215 L HA 0.040 4.615 4.340 0.392 0.000 0.206 215 L C 2.350 179.240 176.870 0.032 0.000 1.087 215 L CA 0.978 55.840 54.840 0.036 0.000 0.767 215 L CB -0.225 41.865 42.059 0.052 0.000 0.917 215 L HN 0.219 nan 8.230 nan 0.000 0.441 216 E N -0.804 119.414 120.200 0.029 0.000 2.399 216 E HA 0.245 4.830 4.350 0.392 0.000 0.205 216 E C 1.006 177.618 176.600 0.020 0.000 0.906 216 E CA 0.781 57.197 56.400 0.026 0.000 0.998 216 E CB 1.105 30.820 29.700 0.025 0.000 1.002 216 E HN 0.338 nan 8.360 nan 0.000 0.501 217 G N 2.121 110.930 108.800 0.014 0.000 2.512 217 G HA2 -0.321 3.874 3.960 0.392 0.000 0.210 217 G HA3 -0.321 3.874 3.960 0.392 0.000 0.210 217 G C 0.645 175.547 174.900 0.004 0.000 1.295 217 G CA 0.095 45.202 45.100 0.011 0.000 0.934 217 G HN 0.154 nan 8.290 nan 0.000 0.554 218 E N -0.443 119.760 120.200 0.004 0.000 2.136 218 E HA -0.253 4.332 4.350 0.392 0.000 0.202 218 E C 1.573 178.169 176.600 -0.007 0.000 1.019 218 E CA 2.091 58.490 56.400 -0.002 0.000 0.819 218 E CB -0.207 29.495 29.700 0.003 0.000 0.739 218 E HN 0.455 nan 8.360 nan 0.000 0.458 219 D N -0.753 119.648 120.400 0.002 0.000 2.371 219 D HA -0.043 4.832 4.640 0.392 0.000 0.221 219 D C 1.647 177.933 176.300 -0.022 0.000 0.986 219 D CA 0.819 54.818 54.000 -0.002 0.000 0.899 219 D CB -0.237 40.575 40.800 0.019 0.000 0.902 219 D HN 0.383 nan 8.370 nan 0.000 0.530 220 G N 1.158 109.945 108.800 -0.021 0.000 2.450 220 G HA2 -0.229 3.966 3.960 0.392 0.000 0.220 220 G HA3 -0.229 3.966 3.960 0.392 0.000 0.220 220 G C 1.729 176.581 174.900 -0.081 0.000 1.130 220 G CA 0.252 45.333 45.100 -0.032 0.000 0.760 220 G HN 0.291 nan 8.290 nan 0.000 0.557 221 L N 0.540 121.710 121.223 -0.088 0.000 2.127 221 L HA -0.080 4.495 4.340 0.392 0.000 0.211 221 L C 2.129 178.880 176.870 -0.197 0.000 1.089 221 L CA 1.057 55.820 54.840 -0.128 0.000 0.757 221 L CB -0.375 41.630 42.059 -0.091 0.000 0.899 221 L HN 0.075 nan 8.230 nan 0.000 0.434 222 D N -0.074 120.225 120.400 -0.169 0.000 2.350 222 D HA -0.113 4.762 4.640 0.392 0.000 0.216 222 D C 1.530 177.568 176.300 -0.437 0.000 0.968 222 D CA 0.827 54.690 54.000 -0.228 0.000 0.894 222 D CB 0.046 40.793 40.800 -0.089 0.000 0.909 222 D HN 0.321 nan 8.370 nan 0.000 0.520 223 E N 0.075 120.064 120.200 -0.351 0.000 2.419 223 E HA 0.176 4.761 4.350 0.392 0.000 0.190 223 E C 0.297 176.558 176.600 -0.566 0.000 1.040 223 E CA -0.157 56.024 56.400 -0.365 0.000 0.900 223 E CB 0.519 30.185 29.700 -0.058 0.000 1.054 223 E HN 0.367 nan 8.360 nan 0.000 0.462 224 I N 1.221 121.352 120.570 -0.731 0.000 2.355 224 I HA 0.264 4.669 4.170 0.392 0.000 0.288 224 I C -0.649 175.024 176.117 -0.740 0.000 0.999 224 I CA -0.788 60.169 61.300 -0.572 0.000 1.163 224 I CB 0.626 38.400 38.000 -0.376 0.000 1.316 224 I HN -0.152 nan 8.210 nan 0.000 0.454 225 Y N 2.886 122.923 120.300 -0.439 0.000 2.602 225 Y HA 0.514 5.294 4.550 0.383 0.000 0.342 225 Y C 0.497 176.206 175.900 -0.318 0.000 1.029 225 Y CA -1.084 56.842 58.100 -0.290 0.000 1.080 225 Y CB 1.725 40.079 38.460 -0.178 0.000 1.284 225 Y HN 0.519 nan 8.280 nan 0.000 0.485 226 S N -0.060 115.622 115.700 -0.030 0.000 2.585 226 S HA 0.367 5.072 4.470 0.392 0.000 0.277 226 S C 0.414 175.005 174.600 -0.014 0.000 1.241 226 S CA -0.661 57.415 58.200 -0.208 0.000 1.041 226 S CB 0.312 63.462 63.200 -0.082 0.000 0.987 226 S HN 0.621 nan 8.310 nan 0.000 0.512 227 F N 1.169 121.161 119.950 0.070 0.000 2.126 227 F HA -0.118 4.633 4.527 0.372 0.000 0.299 227 F C 3.128 178.981 175.800 0.087 0.000 1.096 227 F CA 1.249 59.310 58.000 0.100 0.000 1.255 227 F CB -0.546 38.482 39.000 0.047 0.000 0.997 227 F HN 0.702 nan 8.300 nan 0.000 0.479 228 S N 0.273 116.153 115.700 0.299 0.000 2.359 228 S HA -0.260 4.445 4.470 0.392 0.000 0.224 228 S C 2.030 176.717 174.600 0.145 0.000 1.035 228 S CA 1.925 60.266 58.200 0.235 0.000 1.018 228 S CB -0.494 62.909 63.200 0.338 0.000 0.876 228 S HN 0.644 nan 8.310 nan 0.000 0.448 229 E N -0.147 120.143 120.200 0.149 0.000 2.216 229 E HA 0.000 4.585 4.350 0.392 0.000 0.192 229 E C 1.927 178.597 176.600 0.116 0.000 0.988 229 E CA 1.163 57.634 56.400 0.117 0.000 0.834 229 E CB -0.409 29.381 29.700 0.151 0.000 0.772 229 E HN 0.424 nan 8.360 nan 0.000 0.479 230 S N 1.237 117.023 115.700 0.144 0.000 2.399 230 S HA -0.042 4.663 4.470 0.392 0.000 0.231 230 S C 1.874 176.512 174.600 0.063 0.000 1.022 230 S CA 0.845 59.103 58.200 0.096 0.000 0.983 230 S CB -0.206 63.112 63.200 0.197 0.000 0.803 230 S HN 0.255 nan 8.310 nan 0.000 0.480 231 L N 1.086 122.353 121.223 0.073 0.000 2.362 231 L HA -0.019 4.556 4.340 0.392 0.000 0.219 231 L C 1.829 178.786 176.870 0.144 0.000 1.134 231 L CA 0.851 55.734 54.840 0.071 0.000 0.807 231 L CB -0.247 41.790 42.059 -0.036 0.000 0.927 231 L HN 0.348 nan 8.230 nan 0.000 0.447 232 R N -0.702 119.866 120.500 0.113 0.000 2.700 232 R HA 0.343 4.918 4.340 0.392 0.000 0.377 232 R C -0.349 176.020 176.300 0.116 0.000 1.130 232 R CA -0.294 55.877 56.100 0.118 0.000 1.055 232 R CB 0.252 30.596 30.300 0.073 0.000 1.387 232 R HN 0.069 nan 8.270 nan 0.000 0.580 233 K N 0.084 120.550 120.400 0.111 0.000 2.499 233 K HA 0.360 4.915 4.320 0.392 0.000 0.277 233 K C -0.393 176.287 176.600 0.133 0.000 1.025 233 K CA -0.951 55.399 56.287 0.106 0.000 0.900 233 K CB 1.824 34.360 32.500 0.060 0.000 1.494 233 K HN -0.057 nan 8.250 nan 0.000 0.442 234 L N 1.503 122.820 121.223 0.155 0.000 2.818 234 L HA 0.081 4.656 4.340 0.392 0.000 0.243 234 L C 1.896 178.862 176.870 0.159 0.000 1.185 234 L CA -0.212 54.797 54.840 0.281 0.000 0.988 234 L CB -0.036 42.202 42.059 0.298 0.000 1.292 234 L HN 0.816 nan 8.230 nan 0.000 0.519 235 C N -1.543 117.755 119.300 -0.004 0.000 2.411 235 C HA -0.131 4.564 4.460 0.392 0.000 0.279 235 C C 2.586 177.520 174.990 -0.093 0.000 1.288 235 C CA 0.589 59.541 59.018 -0.110 0.000 1.764 235 C CB -1.552 25.877 27.740 -0.520 0.000 1.974 235 C HN 0.498 nan 8.230 nan 0.000 0.498 236 V N -1.993 117.796 119.914 -0.207 0.000 2.913 236 V HA 0.013 4.368 4.120 0.392 0.000 0.260 236 V C 1.953 177.935 176.094 -0.188 0.000 1.098 236 V CA 1.709 63.856 62.300 -0.255 0.000 1.121 236 V CB -1.366 30.148 31.823 -0.514 0.000 0.714 236 V HN 0.533 nan 8.190 nan 0.000 0.487 237 F N 0.009 120.095 119.950 0.228 0.000 2.731 237 F HA 0.333 5.131 4.527 0.451 0.000 0.298 237 F C 2.243 178.096 175.800 0.087 0.000 1.106 237 F CA 0.397 58.518 58.000 0.202 0.000 1.329 237 F CB -0.126 38.938 39.000 0.106 0.000 1.100 237 F HN 0.001 nan 8.300 nan 0.000 0.592 238 K N 1.272 121.779 120.400 0.178 0.000 2.107 238 K HA -0.230 4.325 4.320 0.392 0.000 0.211 238 K C 1.401 178.010 176.600 0.015 0.000 1.049 238 K CA 1.566 57.908 56.287 0.092 0.000 0.927 238 K CB 0.024 32.572 32.500 0.081 0.000 0.714 238 K HN 0.039 nan 8.250 nan 0.000 0.452 239 K N 0.576 120.927 120.400 -0.082 0.000 2.417 239 K HA 0.054 4.609 4.320 0.392 0.000 0.196 239 K C 1.260 177.816 176.600 -0.073 0.000 1.023 239 K CA 0.415 56.596 56.287 -0.178 0.000 1.122 239 K CB 0.408 32.567 32.500 -0.568 0.000 0.850 239 K HN 0.523 nan 8.250 nan 0.000 0.521 240 I N -2.770 117.827 120.570 0.045 0.000 3.994 240 I HA 0.277 4.682 4.170 0.392 0.000 0.323 240 I C -0.341 175.853 176.117 0.129 0.000 1.501 240 I CA -0.514 60.861 61.300 0.125 0.000 1.112 240 I CB 0.549 38.667 38.000 0.196 0.000 1.254 240 I HN -0.285 nan 8.210 nan 0.000 0.495 241 E N 3.297 123.543 120.200 0.077 0.000 2.360 241 E HA 0.139 4.724 4.350 0.392 0.000 0.269 241 E C -0.242 176.379 176.600 0.036 0.000 1.022 241 E CA -0.173 56.241 56.400 0.023 0.000 0.887 241 E CB 1.411 31.090 29.700 -0.035 0.000 0.990 241 E HN 0.345 nan 8.360 nan 0.000 0.426 242 R N 3.144 123.675 120.500 0.052 0.000 2.404 242 R HA -0.010 4.565 4.340 0.392 0.000 0.315 242 R C -0.500 175.871 176.300 0.119 0.000 1.032 242 R CA -0.270 55.902 56.100 0.121 0.000 0.992 242 R CB -0.025 30.308 30.300 0.055 0.000 0.959 242 R HN 0.377 nan 8.270 nan 0.000 0.428 243 H N 1.398 120.486 119.070 0.029 0.000 2.815 243 H HA 0.008 4.796 4.556 0.387 0.000 0.350 243 H C 0.440 175.810 175.328 0.070 0.000 1.080 243 H CA 0.256 56.325 56.048 0.036 0.000 1.433 243 H CB 1.035 30.811 29.762 0.023 0.000 1.432 243 H HN 0.493 nan 8.280 nan 0.000 0.592 244 S N 2.029 117.842 115.700 0.188 0.000 2.579 244 S HA 0.142 4.847 4.470 0.392 0.000 0.275 244 S C 0.283 175.058 174.600 0.291 0.000 1.345 244 S CA -0.843 57.486 58.200 0.215 0.000 1.031 244 S CB 0.101 63.439 63.200 0.230 0.000 0.892 244 S HN 0.361 nan 8.310 nan 0.000 0.529 245 I N 5.081 125.791 120.570 0.234 0.000 2.519 245 I HA 0.192 4.597 4.170 0.392 0.000 0.287 245 I C 0.923 177.158 176.117 0.196 0.000 1.047 245 I CA -0.310 61.124 61.300 0.223 0.000 1.381 245 I CB 0.524 38.615 38.000 0.152 0.000 1.417 245 I HN 0.763 nan 8.210 nan 0.000 0.540 246 H N 4.636 123.692 119.070 -0.024 0.000 2.488 246 H HA 0.215 5.006 4.556 0.391 0.000 0.347 246 H C -1.624 173.641 175.328 -0.105 0.000 1.174 246 H CA -0.919 54.912 56.048 -0.360 0.000 1.307 246 H CB 1.170 30.681 29.762 -0.418 0.000 1.517 246 H HN 0.692 nan 8.280 nan 0.000 0.554 247 W N 4.313 125.272 121.300 -0.568 0.000 2.424 247 W HA 0.427 5.321 4.660 0.390 0.000 0.318 247 W C -2.924 173.352 176.519 -0.405 0.000 1.016 247 W CA -2.576 54.495 57.345 -0.456 0.000 1.268 247 W CB 1.411 30.744 29.460 -0.211 0.000 1.297 247 W HN 0.466 nan 8.180 nan 0.000 0.428 248 P HA 0.369 nan 4.420 nan 0.000 0.279 248 P C -0.695 175.999 177.300 -1.009 0.000 1.239 248 P CA -0.077 62.616 63.100 -0.678 0.000 0.789 248 P CB 1.548 32.984 31.700 -0.439 0.000 0.933 249 C N 2.565 121.439 119.300 -0.709 0.000 3.167 249 C HA 0.534 5.229 4.460 0.392 0.000 0.348 249 C C -1.797 173.008 174.990 -0.309 0.000 1.394 249 C CA -0.492 58.139 59.018 -0.645 0.000 1.204 249 C CB 1.221 28.311 27.740 -1.083 0.000 1.467 249 C HN 0.514 nan 8.230 nan 0.000 0.446 250 R N 1.430 121.830 120.500 -0.167 0.000 2.534 250 R HA 0.662 5.237 4.340 0.392 0.000 0.301 250 R C -0.892 175.445 176.300 0.063 0.000 0.961 250 R CA -0.484 55.586 56.100 -0.050 0.000 0.871 250 R CB 1.373 31.652 30.300 -0.035 0.000 1.170 250 R HN 0.715 nan 8.270 nan 0.000 0.446 251 L N 2.887 124.173 121.223 0.106 0.000 2.278 251 L HA 0.470 5.045 4.340 0.392 0.000 0.287 251 L C -0.460 176.508 176.870 0.163 0.000 1.072 251 L CA -0.067 54.919 54.840 0.242 0.000 0.819 251 L CB 0.740 42.959 42.059 0.266 0.000 1.176 251 L HN 0.791 nan 8.230 nan 0.000 0.435 252 T N 3.028 117.671 114.554 0.147 0.000 2.824 252 T HA 0.593 5.178 4.350 0.392 0.000 0.280 252 T C -0.213 174.538 174.700 0.085 0.000 0.995 252 T CA -0.620 61.536 62.100 0.095 0.000 1.009 252 T CB 1.522 70.430 68.868 0.065 0.000 0.955 252 T HN 0.477 nan 8.240 nan 0.000 0.452 253 I N 2.994 123.617 120.570 0.088 0.000 2.495 253 I HA 0.550 4.955 4.170 0.392 0.000 0.277 253 I C 1.057 177.218 176.117 0.074 0.000 1.045 253 I CA -0.302 61.055 61.300 0.095 0.000 1.135 253 I CB 0.562 38.658 38.000 0.160 0.000 1.241 253 I HN 1.218 nan 8.210 nan 0.000 0.469 254 G N 4.931 113.761 108.800 0.051 0.000 2.512 254 G HA2 -0.264 3.931 3.960 0.392 0.000 0.240 254 G HA3 -0.264 3.931 3.960 0.392 0.000 0.240 254 G C 0.325 175.247 174.900 0.036 0.000 1.246 254 G CA 0.193 45.319 45.100 0.042 0.000 0.919 254 G HN 0.762 nan 8.290 nan 0.000 0.577 255 S N -0.869 114.850 115.700 0.032 0.000 2.733 255 S HA 0.283 4.988 4.470 0.392 0.000 0.247 255 S C 0.956 175.571 174.600 0.025 0.000 1.043 255 S CA 0.719 58.934 58.200 0.025 0.000 1.066 255 S CB 0.403 63.614 63.200 0.019 0.000 1.045 255 S HN 0.592 nan 8.310 nan 0.000 0.586 256 N N 1.048 119.767 118.700 0.031 0.000 2.184 256 N HA 0.296 5.271 4.740 0.392 0.000 0.206 256 N C -0.851 174.679 175.510 0.034 0.000 1.151 256 N CA 0.034 53.101 53.050 0.029 0.000 0.878 256 N CB 1.073 39.577 38.487 0.027 0.000 1.014 256 N HN 0.355 nan 8.380 nan 0.000 0.512 257 L N 0.870 122.119 121.223 0.044 0.000 2.342 257 L HA 0.468 5.043 4.340 0.392 0.000 0.276 257 L C -0.591 176.313 176.870 0.057 0.000 0.997 257 L CA -0.451 54.421 54.840 0.053 0.000 0.838 257 L CB 1.627 43.727 42.059 0.068 0.000 1.224 257 L HN -0.223 nan 8.230 nan 0.000 0.416 258 S N 5.418 121.146 115.700 0.047 0.000 2.532 258 S HA 0.836 5.541 4.470 0.392 0.000 0.301 258 S C -0.828 173.800 174.600 0.047 0.000 1.083 258 S CA -0.561 57.665 58.200 0.044 0.000 1.025 258 S CB 0.994 64.209 63.200 0.024 0.000 1.056 258 S HN 0.520 nan 8.310 nan 0.000 0.494 259 I N 3.975 124.575 120.570 0.051 0.000 2.500 259 I HA 0.370 4.775 4.170 0.392 0.000 0.286 259 I C -0.075 176.056 176.117 0.024 0.000 1.063 259 I CA -0.648 60.681 61.300 0.048 0.000 1.062 259 I CB 1.821 39.867 38.000 0.076 0.000 1.223 259 I HN 0.514 nan 8.210 nan 0.000 0.435 260 R N 6.905 127.410 120.500 0.007 0.000 2.449 260 R HA 0.476 5.051 4.340 0.392 0.000 0.296 260 R C -0.412 175.881 176.300 -0.013 0.000 1.047 260 R CA 0.206 56.294 56.100 -0.021 0.000 1.018 260 R CB 0.526 30.815 30.300 -0.019 0.000 0.962 260 R HN 0.619 nan 8.270 nan 0.000 0.428 261 I N -1.759 118.776 120.570 -0.057 0.000 3.145 261 I HA 0.827 5.232 4.170 0.392 0.000 0.313 261 I C -1.092 174.987 176.117 -0.063 0.000 1.122 261 I CA -1.340 59.936 61.300 -0.040 0.000 0.987 261 I CB 2.612 40.553 38.000 -0.098 0.000 1.236 261 I HN 0.494 nan 8.210 nan 0.000 0.453 262 A N 2.326 125.165 122.820 0.032 0.000 2.381 262 A HA 0.896 5.451 4.320 0.392 0.000 0.299 262 A C -0.724 176.877 177.584 0.027 0.000 1.049 262 A CA -0.446 51.602 52.037 0.017 0.000 0.715 262 A CB 1.402 20.485 19.000 0.137 0.000 1.222 262 A HN 1.193 nan 8.150 nan 0.000 0.428 263 A N 1.671 124.477 122.820 -0.023 0.000 2.325 263 A HA 0.863 5.418 4.320 0.392 0.000 0.333 263 A C -1.258 176.214 177.584 -0.186 0.000 1.155 263 A CA -0.348 51.705 52.037 0.026 0.000 0.814 263 A CB 0.575 19.662 19.000 0.145 0.000 1.206 263 A HN 0.831 nan 8.150 nan 0.000 0.482 264 Y N 0.298 120.693 120.300 0.158 0.000 2.512 264 Y HA 0.438 5.223 4.550 0.393 0.000 0.348 264 Y C 0.144 176.077 175.900 0.054 0.000 0.990 264 Y CA -0.889 57.296 58.100 0.142 0.000 1.033 264 Y CB 1.998 40.568 38.460 0.183 0.000 1.259 264 Y HN 0.561 nan 8.280 nan 0.000 0.461 265 K N 1.049 121.555 120.400 0.177 0.000 2.285 265 K HA 0.281 4.836 4.320 0.392 0.000 0.286 265 K C 0.379 177.029 176.600 0.083 0.000 1.072 265 K CA -0.114 56.219 56.287 0.077 0.000 0.913 265 K CB 1.175 33.697 32.500 0.037 0.000 1.067 265 K HN 0.683 nan 8.250 nan 0.000 0.479 266 S N 2.369 118.098 115.700 0.047 0.000 2.362 266 S HA 0.072 4.777 4.470 0.392 0.000 0.221 266 S C 0.786 175.402 174.600 0.026 0.000 1.032 266 S CA 0.548 58.770 58.200 0.037 0.000 0.973 266 S CB 0.237 63.439 63.200 0.002 0.000 0.849 266 S HN 0.445 nan 8.310 nan 0.000 0.465 267 I N 1.847 122.423 120.570 0.010 0.000 2.465 267 I HA 0.568 4.973 4.170 0.392 0.000 0.291 267 I C -1.066 175.055 176.117 0.007 0.000 1.014 267 I CA -0.688 60.620 61.300 0.013 0.000 1.093 267 I CB 1.542 39.548 38.000 0.010 0.000 1.267 267 I HN 0.085 nan 8.210 nan 0.000 0.431 268 L N 5.817 127.048 121.223 0.014 0.000 2.710 268 L HA 0.294 4.869 4.340 0.392 0.000 0.262 268 L C -0.373 176.510 176.870 0.021 0.000 0.940 268 L CA -0.151 54.694 54.840 0.009 0.000 0.944 268 L CB 1.769 43.831 42.059 0.005 0.000 1.348 268 L HN 0.704 nan 8.230 nan 0.000 0.425 269 Q N 2.507 122.322 119.800 0.024 0.000 2.269 269 Q HA 0.052 4.627 4.340 0.392 0.000 0.300 269 Q C -0.303 175.732 176.000 0.059 0.000 1.070 269 Q CA 0.424 56.253 55.803 0.042 0.000 0.957 269 Q CB 0.656 29.415 28.738 0.035 0.000 1.131 269 Q HN 0.617 nan 8.270 nan 0.000 0.377 270 E N 3.795 124.053 120.200 0.097 0.000 2.338 270 E HA 0.168 4.753 4.350 0.392 0.000 0.272 270 E C -1.069 175.675 176.600 0.239 0.000 1.029 270 E CA 0.148 56.612 56.400 0.107 0.000 0.872 270 E CB 0.633 30.382 29.700 0.081 0.000 1.015 270 E HN 0.527 nan 8.360 nan 0.000 0.417 271 R N 2.066 122.668 120.500 0.170 0.000 2.888 271 R HA 0.528 5.103 4.340 0.392 0.000 0.266 271 R C -0.805 175.627 176.300 0.219 0.000 1.020 271 R CA -1.270 54.964 56.100 0.223 0.000 0.963 271 R CB 1.502 31.863 30.300 0.101 0.000 1.197 271 R HN 0.304 nan 8.270 nan 0.000 0.481 272 V N 2.298 122.374 119.914 0.269 0.000 2.740 272 V HA -0.022 4.333 4.120 0.392 0.000 0.303 272 V C 0.821 176.953 176.094 0.063 0.000 1.054 272 V CA 0.407 62.829 62.300 0.204 0.000 1.106 272 V CB 1.112 33.028 31.823 0.155 0.000 0.957 272 V HN 0.691 nan 8.190 nan 0.000 0.486 273 K N 1.973 122.384 120.400 0.018 0.000 2.168 273 K HA 0.136 4.691 4.320 0.392 0.000 0.201 273 K C 0.699 177.279 176.600 -0.034 0.000 1.049 273 K CA 0.398 56.677 56.287 -0.013 0.000 0.974 273 K CB -0.037 32.445 32.500 -0.030 0.000 0.792 273 K HN 0.400 nan 8.250 nan 0.000 0.463 274 K N 1.509 121.872 120.400 -0.061 0.000 2.322 274 K HA 0.079 4.634 4.320 0.392 0.000 0.283 274 K C -0.526 175.955 176.600 -0.197 0.000 1.042 274 K CA -0.022 56.187 56.287 -0.129 0.000 0.958 274 K CB 0.739 33.135 32.500 -0.174 0.000 0.984 274 K HN 0.221 nan 8.250 nan 0.000 0.473 275 T N 0.007 114.470 114.554 -0.153 0.000 2.943 275 T HA 0.467 5.052 4.350 0.392 0.000 0.284 275 T C -0.463 174.156 174.700 -0.135 0.000 1.015 275 T CA -0.811 61.226 62.100 -0.105 0.000 1.042 275 T CB 0.501 69.367 68.868 -0.002 0.000 1.055 275 T HN 0.463 nan 8.240 nan 0.000 0.500 276 W N 1.261 122.576 121.300 0.025 0.000 2.338 276 W HA 0.445 5.341 4.660 0.394 0.000 0.307 276 W C 0.245 176.774 176.519 0.017 0.000 1.167 276 W CA -0.625 56.732 57.345 0.021 0.000 1.208 276 W CB 1.141 30.608 29.460 0.012 0.000 1.228 276 W HN 0.588 nan 8.180 nan 0.000 0.499 277 T N 3.389 118.103 114.554 0.267 0.000 2.799 277 T HA 0.280 4.865 4.350 0.392 0.000 0.286 277 T C -0.092 174.697 174.700 0.148 0.000 0.973 277 T CA -0.655 61.541 62.100 0.159 0.000 1.035 277 T CB 0.719 69.652 68.868 0.108 0.000 0.932 277 T HN 0.054 nan 8.240 nan 0.000 0.469 278 V N 5.253 125.226 119.914 0.099 0.000 2.508 278 V HA 0.427 4.782 4.120 0.392 0.000 0.281 278 V C 0.509 176.634 176.094 0.050 0.000 1.041 278 V CA -0.348 61.989 62.300 0.063 0.000 1.016 278 V CB 0.284 32.131 31.823 0.040 0.000 0.984 278 V HN 0.766 nan 8.190 nan 0.000 0.478 279 V N 1.141 121.080 119.914 0.042 0.000 3.102 279 V HA 0.598 4.953 4.120 0.392 0.000 0.312 279 V C -0.292 175.813 176.094 0.019 0.000 1.135 279 V CA -1.052 61.268 62.300 0.034 0.000 1.022 279 V CB 2.067 33.916 31.823 0.043 0.000 1.056 279 V HN 0.748 nan 8.190 nan 0.000 0.436 280 D N 1.088 121.497 120.400 0.016 0.000 2.425 280 D HA 0.254 5.129 4.640 0.392 0.000 0.247 280 D C 1.213 177.517 176.300 0.007 0.000 1.147 280 D CA 0.601 54.606 54.000 0.009 0.000 0.879 280 D CB 2.077 42.882 40.800 0.009 0.000 1.179 280 D HN 0.948 nan 8.370 nan 0.000 0.456 281 A N 4.549 127.370 122.820 0.001 0.000 2.178 281 A HA -0.172 4.383 4.320 0.392 0.000 0.218 281 A C 1.817 179.402 177.584 0.001 0.000 1.157 281 A CA 1.271 53.307 52.037 -0.002 0.000 0.689 281 A CB 0.042 19.038 19.000 -0.007 0.000 0.787 281 A HN 0.640 nan 8.150 nan 0.000 0.465 282 K N -1.558 118.844 120.400 0.003 0.000 2.216 282 K HA 0.000 4.555 4.320 0.392 0.000 0.207 282 K C 2.120 178.723 176.600 0.006 0.000 1.041 282 K CA 1.199 57.488 56.287 0.003 0.000 0.966 282 K CB -0.190 32.311 32.500 0.002 0.000 0.955 282 K HN 0.501 nan 8.250 nan 0.000 0.468 283 T N -0.231 114.328 114.554 0.007 0.000 3.067 283 T HA 0.092 4.677 4.350 0.392 0.000 0.261 283 T C 1.048 175.756 174.700 0.013 0.000 1.110 283 T CA 0.154 62.260 62.100 0.009 0.000 1.113 283 T CB -0.381 68.493 68.868 0.009 0.000 0.917 283 T HN 0.229 nan 8.240 nan 0.000 0.499 284 L N -0.704 120.528 121.223 0.015 0.000 4.179 284 L HA -0.171 4.404 4.340 0.392 0.000 0.418 284 L C -0.260 176.626 176.870 0.026 0.000 1.168 284 L CA 0.553 55.406 54.840 0.021 0.000 0.972 284 L CB -1.403 40.669 42.059 0.021 0.000 2.005 284 L HN 0.331 nan 8.230 nan 0.000 0.935 285 K N 0.138 120.552 120.400 0.023 0.000 2.166 285 K HA 0.329 4.884 4.320 0.392 0.000 0.245 285 K C 0.795 177.410 176.600 0.026 0.000 0.967 285 K CA -0.632 55.669 56.287 0.024 0.000 0.863 285 K CB 1.985 34.496 32.500 0.018 0.000 1.107 285 K HN -0.023 nan 8.250 nan 0.000 0.436 286 K N 1.190 121.607 120.400 0.028 0.000 2.137 286 K HA -0.088 4.467 4.320 0.392 0.000 0.202 286 K C 0.796 177.409 176.600 0.022 0.000 1.052 286 K CA 1.266 57.571 56.287 0.029 0.000 0.961 286 K CB 0.268 32.788 32.500 0.033 0.000 0.741 286 K HN 0.399 nan 8.250 nan 0.000 0.452 287 E N 1.281 121.493 120.200 0.019 0.000 2.209 287 E HA -0.173 4.412 4.350 0.392 0.000 0.196 287 E C 1.047 177.655 176.600 0.013 0.000 0.993 287 E CA 1.451 57.860 56.400 0.015 0.000 0.819 287 E CB -0.144 29.565 29.700 0.014 0.000 0.745 287 E HN 0.376 nan 8.360 nan 0.000 0.477 288 D N -0.545 119.863 120.400 0.013 0.000 2.378 288 D HA -0.036 4.839 4.640 0.392 0.000 0.222 288 D C -0.080 176.226 176.300 0.010 0.000 0.980 288 D CA 0.613 54.620 54.000 0.011 0.000 0.907 288 D CB 0.228 41.034 40.800 0.010 0.000 0.899 288 D HN 0.101 nan 8.370 nan 0.000 0.527 289 I N 0.553 121.131 120.570 0.012 0.000 2.493 289 I HA 0.408 4.813 4.170 0.392 0.000 0.298 289 I C -0.236 175.887 176.117 0.011 0.000 0.998 289 I CA -0.766 60.540 61.300 0.011 0.000 1.137 289 I CB 1.584 39.592 38.000 0.014 0.000 1.310 289 I HN -0.150 nan 8.210 nan 0.000 0.445 290 Q N 4.498 124.302 119.800 0.007 0.000 2.320 290 Q HA 0.421 4.996 4.340 0.392 0.000 0.272 290 Q C -1.681 174.321 176.000 0.002 0.000 1.023 290 Q CA -0.772 55.035 55.803 0.007 0.000 0.855 290 Q CB 2.850 31.592 28.738 0.007 0.000 1.367 290 Q HN 0.574 nan 8.270 nan 0.000 0.406 291 K N 2.600 123.001 120.400 0.002 0.000 2.274 291 K HA 0.404 4.959 4.320 0.392 0.000 0.262 291 K C -1.086 175.509 176.600 -0.008 0.000 0.961 291 K CA -0.536 55.747 56.287 -0.005 0.000 0.833 291 K CB 1.826 34.323 32.500 -0.006 0.000 1.102 291 K HN 0.462 nan 8.250 nan 0.000 0.436 292 E N 1.864 122.054 120.200 -0.017 0.000 2.182 292 E HA 0.078 4.663 4.350 0.392 0.000 0.258 292 E C -1.136 175.431 176.600 -0.054 0.000 0.879 292 E CA -0.409 55.979 56.400 -0.020 0.000 0.754 292 E CB 1.999 31.693 29.700 -0.010 0.000 1.162 292 E HN 0.347 nan 8.360 nan 0.000 0.419 293 T N 2.842 117.348 114.554 -0.079 0.000 2.727 293 T HA 0.349 4.934 4.350 0.392 0.000 0.298 293 T C -0.190 174.324 174.700 -0.310 0.000 0.942 293 T CA -0.487 61.498 62.100 -0.192 0.000 0.997 293 T CB 0.117 68.861 68.868 -0.208 0.000 0.917 293 T HN 0.104 nan 8.240 nan 0.000 0.487 294 V N 5.872 125.600 119.914 -0.310 0.000 2.966 294 V HA 0.580 4.935 4.120 0.392 0.000 0.317 294 V C -0.933 174.887 176.094 -0.457 0.000 1.070 294 V CA -0.898 61.258 62.300 -0.241 0.000 1.008 294 V CB 1.279 33.062 31.823 -0.067 0.000 1.070 294 V HN 0.814 nan 8.190 nan 0.000 0.457 295 Y N 0.884 121.181 120.300 -0.004 0.000 2.409 295 Y HA 0.713 5.498 4.550 0.392 0.000 0.343 295 Y C 0.193 176.090 175.900 -0.004 0.000 0.973 295 Y CA -0.861 57.236 58.100 -0.005 0.000 1.064 295 Y CB 1.786 40.241 38.460 -0.008 0.000 1.207 295 Y HN 0.906 nan 8.280 nan 0.000 0.452 296 C N 0.615 119.992 119.300 0.128 0.000 3.171 296 C HA 0.713 5.408 4.460 0.392 0.000 0.308 296 C C -0.701 174.326 174.990 0.061 0.000 1.334 296 C CA -1.628 57.435 59.018 0.074 0.000 1.473 296 C CB 0.631 28.393 27.740 0.037 0.000 1.866 296 C HN 0.843 nan 8.230 nan 0.000 0.465 297 L N 2.676 123.924 121.223 0.042 0.000 2.565 297 L HA 0.127 4.702 4.340 0.392 0.000 0.275 297 L C 1.590 178.475 176.870 0.026 0.000 1.137 297 L CA 0.161 55.020 54.840 0.032 0.000 0.915 297 L CB -0.400 41.672 42.059 0.023 0.000 1.232 297 L HN 0.866 nan 8.230 nan 0.000 0.473 298 N N 1.954 120.671 118.700 0.027 0.000 2.132 298 N HA -0.224 4.751 4.740 0.392 0.000 0.191 298 N C 0.847 176.367 175.510 0.015 0.000 1.015 298 N CA 1.134 54.197 53.050 0.021 0.000 0.864 298 N CB 0.086 38.587 38.487 0.022 0.000 1.006 298 N HN 0.644 nan 8.380 nan 0.000 0.430 299 D N -0.057 120.352 120.400 0.015 0.000 2.352 299 D HA -0.058 4.817 4.640 0.392 0.000 0.238 299 D C -0.318 175.988 176.300 0.011 0.000 1.286 299 D CA -0.032 53.975 54.000 0.012 0.000 0.923 299 D CB 0.282 41.089 40.800 0.012 0.000 1.146 299 D HN 0.153 nan 8.370 nan 0.000 0.471 300 D N -0.150 120.255 120.400 0.008 0.000 2.319 300 D HA -0.026 4.849 4.640 0.392 0.000 0.235 300 D C -0.303 176.002 176.300 0.008 0.000 1.304 300 D CA 0.830 54.834 54.000 0.007 0.000 0.894 300 D CB 0.278 41.081 40.800 0.006 0.000 1.183 300 D HN 0.270 nan 8.370 nan 0.000 0.472 301 D N 0.621 121.025 120.400 0.007 0.000 2.848 301 D HA -0.206 4.669 4.640 0.392 0.000 0.245 301 D C -0.564 175.742 176.300 0.009 0.000 1.122 301 D CA 0.315 54.319 54.000 0.007 0.000 0.769 301 D CB -0.999 39.805 40.800 0.007 0.000 1.025 301 D HN 0.569 nan 8.370 nan 0.000 0.423 302 E N 0.925 121.130 120.200 0.009 0.000 2.070 302 E HA -0.015 4.570 4.350 0.392 0.000 0.249 302 E C -0.509 176.099 176.600 0.014 0.000 1.247 302 E CA 0.510 56.916 56.400 0.011 0.000 1.009 302 E CB 0.108 29.812 29.700 0.007 0.000 1.093 302 E HN 0.079 nan 8.360 nan 0.000 0.443 303 T N 3.600 118.164 114.554 0.017 0.000 2.771 303 T HA 0.091 4.676 4.350 0.392 0.000 0.291 303 T C 0.085 174.803 174.700 0.030 0.000 0.954 303 T CA -0.595 61.517 62.100 0.020 0.000 1.045 303 T CB 1.372 70.250 68.868 0.017 0.000 0.917 303 T HN 0.455 nan 8.240 nan 0.000 0.484 304 E N 2.156 122.375 120.200 0.032 0.000 2.410 304 E HA 0.374 4.959 4.350 0.392 0.000 0.255 304 E C -1.017 175.615 176.600 0.053 0.000 1.194 304 E CA -0.415 56.014 56.400 0.049 0.000 0.955 304 E CB 0.589 30.315 29.700 0.043 0.000 0.988 304 E HN 0.314 nan 8.360 nan 0.000 0.461 305 V N 2.831 122.792 119.914 0.079 0.000 2.888 305 V HA 0.279 4.634 4.120 0.392 0.000 0.309 305 V C -0.392 175.734 176.094 0.054 0.000 1.114 305 V CA -0.820 61.511 62.300 0.051 0.000 0.940 305 V CB 1.782 33.627 31.823 0.036 0.000 1.021 305 V HN 0.600 nan 8.190 nan 0.000 0.426 306 L N 2.757 123.988 121.223 0.013 0.000 2.375 306 L HA 0.423 4.998 4.340 0.392 0.000 0.271 306 L C 1.664 178.502 176.870 -0.053 0.000 1.107 306 L CA -0.321 54.522 54.840 0.005 0.000 0.806 306 L CB 0.784 42.844 42.059 0.001 0.000 1.146 306 L HN 0.773 nan 8.230 nan 0.000 0.447 307 K N 1.706 122.071 120.400 -0.058 0.000 2.293 307 K HA -0.176 4.379 4.320 0.392 0.000 0.204 307 K C 0.877 177.411 176.600 -0.110 0.000 1.045 307 K CA 1.544 57.753 56.287 -0.131 0.000 0.933 307 K CB 0.184 32.646 32.500 -0.063 0.000 0.736 307 K HN 0.611 nan 8.250 nan 0.000 0.463 308 E N 0.022 120.184 120.200 -0.065 0.000 2.416 308 E HA -0.047 4.538 4.350 0.392 0.000 0.189 308 E C -0.053 176.515 176.600 -0.054 0.000 1.091 308 E CA 0.074 56.443 56.400 -0.051 0.000 0.889 308 E CB 0.362 30.044 29.700 -0.030 0.000 1.015 308 E HN 0.293 nan 8.360 nan 0.000 0.479 309 D N 0.081 120.436 120.400 -0.075 0.000 2.538 309 D HA 0.176 5.051 4.640 0.392 0.000 0.241 309 D C -0.047 176.200 176.300 -0.088 0.000 1.297 309 D CA 0.046 54.007 54.000 -0.065 0.000 0.804 309 D CB 1.123 41.896 40.800 -0.045 0.000 1.122 309 D HN 0.105 nan 8.370 nan 0.000 0.519 310 I N 2.505 122.993 120.570 -0.137 0.000 2.377 310 I HA 0.376 4.781 4.170 0.392 0.000 0.293 310 I C 0.309 176.348 176.117 -0.131 0.000 0.987 310 I CA -0.861 60.340 61.300 -0.165 0.000 1.185 310 I CB 1.803 39.614 38.000 -0.315 0.000 1.341 310 I HN -0.154 nan 8.210 nan 0.000 0.455 311 I N 2.335 122.845 120.570 -0.100 0.000 3.067 311 I HA 0.562 4.967 4.170 0.392 0.000 0.312 311 I C -0.598 175.463 176.117 -0.093 0.000 1.073 311 I CA -0.929 60.324 61.300 -0.078 0.000 1.016 311 I CB 1.774 39.749 38.000 -0.042 0.000 1.227 311 I HN 0.566 nan 8.210 nan 0.000 0.456 312 Q N 1.209 120.953 119.800 -0.092 0.000 2.230 312 Q HA 0.699 5.274 4.340 0.392 0.000 0.248 312 Q C -0.637 175.270 176.000 -0.155 0.000 0.915 312 Q CA -0.438 55.271 55.803 -0.157 0.000 0.900 312 Q CB 1.744 30.379 28.738 -0.172 0.000 1.229 312 Q HN 1.037 nan 8.270 nan 0.000 0.439 313 G N 1.563 110.174 108.800 -0.315 0.000 2.649 313 G HA2 0.637 4.832 3.960 0.392 0.000 0.290 313 G HA3 0.637 4.832 3.960 0.392 0.000 0.290 313 G C -1.871 172.720 174.900 -0.516 0.000 1.426 313 G CA -0.669 44.296 45.100 -0.225 0.000 0.794 313 G HN 0.534 nan 8.290 nan 0.000 0.483 314 F N -0.739 119.286 119.950 0.125 0.000 2.629 314 F HA 0.653 5.415 4.527 0.391 0.000 0.316 314 F C 0.435 176.299 175.800 0.107 0.000 1.081 314 F CA -0.993 57.080 58.000 0.121 0.000 0.954 314 F CB 2.333 41.431 39.000 0.163 0.000 1.337 314 F HN 0.161 nan 8.300 nan 0.000 0.474 315 R N 0.644 121.329 120.500 0.308 0.000 2.474 315 R HA 0.385 4.960 4.340 0.392 0.000 0.295 315 R C -1.791 174.647 176.300 0.229 0.000 0.980 315 R CA -0.868 55.355 56.100 0.206 0.000 0.934 315 R CB 1.658 32.034 30.300 0.127 0.000 1.101 315 R HN 0.674 nan 8.270 nan 0.000 0.469 316 Y N 2.018 122.361 120.300 0.071 0.000 2.594 316 Y HA 0.262 5.047 4.550 0.392 0.000 0.338 316 Y C 0.571 176.488 175.900 0.029 0.000 1.019 316 Y CA 0.587 58.710 58.100 0.039 0.000 1.306 316 Y CB 0.641 39.112 38.460 0.018 0.000 1.094 316 Y HN 1.016 nan 8.280 nan 0.000 0.534 317 G N 2.382 111.095 108.800 -0.145 0.000 2.596 317 G HA2 -0.419 3.776 3.960 0.392 0.000 0.304 317 G HA3 -0.419 3.776 3.960 0.392 0.000 0.304 317 G C 1.195 176.103 174.900 0.013 0.000 1.189 317 G CA 0.768 45.815 45.100 -0.088 0.000 0.986 317 G HN 1.157 nan 8.290 nan 0.000 0.548 318 S N 0.572 116.295 115.700 0.038 0.000 2.527 318 S HA 0.241 4.946 4.470 0.392 0.000 0.222 318 S C 0.494 175.137 174.600 0.071 0.000 0.985 318 S CA 1.145 59.374 58.200 0.047 0.000 0.921 318 S CB 0.161 63.384 63.200 0.038 0.000 0.772 318 S HN 0.608 nan 8.310 nan 0.000 0.529 319 D N 1.603 122.070 120.400 0.112 0.000 2.304 319 D HA 0.415 5.290 4.640 0.392 0.000 0.247 319 D C -0.359 176.013 176.300 0.119 0.000 1.089 319 D CA -0.029 54.041 54.000 0.117 0.000 0.910 319 D CB 1.054 41.947 40.800 0.155 0.000 1.199 319 D HN 0.261 nan 8.370 nan 0.000 0.426 320 I N 1.423 122.046 120.570 0.088 0.000 2.389 320 I HA 0.183 4.588 4.170 0.392 0.000 0.288 320 I C -0.586 175.580 176.117 0.082 0.000 0.999 320 I CA -0.838 60.515 61.300 0.088 0.000 1.129 320 I CB 1.890 39.924 38.000 0.057 0.000 1.288 320 I HN -0.099 nan 8.210 nan 0.000 0.444 321 V N 8.045 128.029 119.914 0.117 0.000 2.349 321 V HA 0.299 4.654 4.120 0.392 0.000 0.284 321 V C -2.165 174.016 176.094 0.144 0.000 1.014 321 V CA -1.738 60.621 62.300 0.100 0.000 0.826 321 V CB 1.324 33.192 31.823 0.075 0.000 1.009 321 V HN 0.562 nan 8.190 nan 0.000 0.431 322 P HA 0.167 nan 4.420 nan 0.000 0.267 322 P C -0.828 176.626 177.300 0.257 0.000 1.205 322 P CA 0.280 63.454 63.100 0.124 0.000 0.765 322 P CB 0.455 32.196 31.700 0.069 0.000 0.828 323 F N 2.458 122.465 119.950 0.096 0.000 3.051 323 F HA 0.155 4.917 4.527 0.392 0.000 0.363 323 F C 0.297 176.174 175.800 0.128 0.000 1.257 323 F CA -0.796 57.304 58.000 0.168 0.000 1.126 323 F CB 1.431 40.660 39.000 0.380 0.000 1.476 323 F HN 0.301 nan 8.300 nan 0.000 0.576 324 S N 3.914 119.704 115.700 0.150 0.000 2.589 324 S HA 0.193 4.898 4.470 0.392 0.000 0.265 324 S C 0.940 175.442 174.600 -0.164 0.000 1.342 324 S CA -0.598 57.592 58.200 -0.017 0.000 1.005 324 S CB 1.663 64.868 63.200 0.009 0.000 0.909 324 S HN 0.839 nan 8.310 nan 0.000 0.555 325 K N 0.267 120.596 120.400 -0.117 0.000 2.283 325 K HA -0.004 4.551 4.320 0.392 0.000 0.202 325 K C 1.793 178.313 176.600 -0.132 0.000 1.048 325 K CA 0.770 56.980 56.287 -0.129 0.000 0.948 325 K CB -0.407 32.052 32.500 -0.068 0.000 0.742 325 K HN 0.456 nan 8.250 nan 0.000 0.458 326 V N 1.773 121.631 119.914 -0.094 0.000 2.323 326 V HA -0.225 4.130 4.120 0.392 0.000 0.244 326 V C 1.676 177.727 176.094 -0.072 0.000 1.041 326 V CA 1.785 64.048 62.300 -0.062 0.000 1.025 326 V CB -0.276 31.531 31.823 -0.028 0.000 0.656 326 V HN 0.288 nan 8.190 nan 0.000 0.451 327 D N -0.264 120.092 120.400 -0.074 0.000 2.117 327 D HA -0.196 4.679 4.640 0.392 0.000 0.198 327 D C 2.140 178.359 176.300 -0.135 0.000 0.982 327 D CA 1.445 55.450 54.000 0.010 0.000 0.828 327 D CB -0.111 40.836 40.800 0.245 0.000 0.967 327 D HN 0.601 nan 8.370 nan 0.000 0.464 328 E N 0.840 120.656 120.200 -0.640 0.000 2.204 328 E HA -0.222 4.363 4.350 0.392 0.000 0.195 328 E C 1.783 178.243 176.600 -0.233 0.000 0.990 328 E CA 0.882 56.815 56.400 -0.777 0.000 0.821 328 E CB 0.167 29.338 29.700 -0.881 0.000 0.750 328 E HN 0.013 nan 8.360 nan 0.000 0.477 329 E N 0.632 120.738 120.200 -0.158 0.000 2.150 329 E HA -0.189 4.396 4.350 0.392 0.000 0.193 329 E C 1.787 178.366 176.600 -0.034 0.000 0.985 329 E CA 1.569 57.926 56.400 -0.072 0.000 0.814 329 E CB 0.064 29.730 29.700 -0.057 0.000 0.752 329 E HN 0.388 nan 8.360 nan 0.000 0.466 330 Q N -1.108 118.682 119.800 -0.016 0.000 2.297 330 Q HA 0.180 4.755 4.340 0.392 0.000 0.203 330 Q C 1.977 177.997 176.000 0.034 0.000 0.931 330 Q CA 0.763 56.571 55.803 0.008 0.000 0.885 330 Q CB 0.150 28.898 28.738 0.016 0.000 0.991 330 Q HN 0.320 nan 8.270 nan 0.000 0.498 331 M N 0.732 120.384 119.600 0.086 0.000 2.506 331 M HA 0.032 4.747 4.480 0.392 0.000 0.260 331 M C 0.681 177.044 176.300 0.104 0.000 1.104 331 M CA 0.317 55.691 55.300 0.122 0.000 1.112 331 M CB 0.196 32.944 32.600 0.247 0.000 1.401 331 M HN -0.042 nan 8.290 nan 0.000 0.473 332 K N 1.420 121.866 120.400 0.077 0.000 2.524 332 K HA -0.132 4.423 4.320 0.392 0.000 0.279 332 K C -0.554 176.087 176.600 0.069 0.000 0.993 332 K CA 0.004 56.333 56.287 0.069 0.000 1.030 332 K CB 0.369 32.884 32.500 0.025 0.000 0.891 332 K HN 0.050 nan 8.250 nan 0.000 0.488 333 Y N 4.130 124.427 120.300 -0.005 0.000 2.620 333 Y HA 0.010 4.794 4.550 0.391 0.000 0.330 333 Y C -0.783 175.111 175.900 -0.011 0.000 1.186 333 Y CA 0.652 58.744 58.100 -0.013 0.000 1.467 333 Y CB 0.547 38.990 38.460 -0.028 0.000 1.262 333 Y HN 0.420 nan 8.280 nan 0.000 0.550 334 K N 5.120 125.038 120.400 -0.804 0.000 2.427 334 K HA 0.428 4.983 4.320 0.392 0.000 0.252 334 K C -0.926 175.208 176.600 -0.777 0.000 0.931 334 K CA -0.922 55.017 56.287 -0.581 0.000 0.793 334 K CB 1.858 34.198 32.500 -0.266 0.000 1.211 334 K HN 0.743 nan 8.250 nan 0.000 0.426 335 S N 0.838 116.285 115.700 -0.421 0.000 2.681 335 S HA 0.259 4.964 4.470 0.392 0.000 0.299 335 S C 0.700 175.237 174.600 -0.104 0.000 1.113 335 S CA -0.674 57.402 58.200 -0.207 0.000 1.013 335 S CB 1.626 64.850 63.200 0.041 0.000 1.076 335 S HN 0.558 nan 8.310 nan 0.000 0.534 336 E N 0.806 120.973 120.200 -0.056 0.000 2.110 336 E HA 0.310 4.895 4.350 0.392 0.000 0.193 336 E C 1.191 177.774 176.600 -0.028 0.000 0.988 336 E CA 1.691 58.068 56.400 -0.040 0.000 0.804 336 E CB -0.463 29.224 29.700 -0.021 0.000 0.745 336 E HN 1.007 nan 8.360 nan 0.000 0.458 337 G N -0.478 108.315 108.800 -0.011 0.000 2.270 337 G HA2 -0.138 4.057 3.960 0.392 0.000 0.268 337 G HA3 -0.138 4.057 3.960 0.392 0.000 0.268 337 G C -1.167 173.734 174.900 0.001 0.000 1.312 337 G CA -0.581 44.514 45.100 -0.008 0.000 1.050 337 G HN 0.086 nan 8.290 nan 0.000 0.474 338 K N -0.191 120.204 120.400 -0.009 0.000 2.586 338 K HA 0.321 4.876 4.320 0.392 0.000 0.280 338 K C 0.339 176.963 176.600 0.041 0.000 0.972 338 K CA 1.216 57.514 56.287 0.018 0.000 1.040 338 K CB -0.400 32.066 32.500 -0.058 0.000 0.870 338 K HN 1.798 nan 8.250 nan 0.000 0.497 339 C N 1.523 120.906 119.300 0.139 0.000 3.045 339 C HA 0.566 5.261 4.460 0.392 0.000 0.338 339 C C -1.714 173.496 174.990 0.367 0.000 1.267 339 C CA -1.273 57.844 59.018 0.164 0.000 1.177 339 C CB 0.311 28.101 27.740 0.083 0.000 1.380 339 C HN 0.828 nan 8.230 nan 0.000 0.469 340 F N 2.394 122.425 119.950 0.135 0.000 3.159 340 F HA 0.550 5.312 4.527 0.392 0.000 0.394 340 F C -0.192 175.659 175.800 0.085 0.000 1.214 340 F CA 0.151 58.251 58.000 0.166 0.000 1.241 340 F CB 0.936 40.072 39.000 0.227 0.000 2.238 340 F HN 0.827 nan 8.300 nan 0.000 0.658 341 S N 2.289 117.967 115.700 -0.037 0.000 2.462 341 S HA 0.601 5.306 4.470 0.392 0.000 0.294 341 S C -0.334 174.189 174.600 -0.128 0.000 1.144 341 S CA -0.716 57.462 58.200 -0.035 0.000 1.088 341 S CB 1.984 65.178 63.200 -0.010 0.000 1.009 341 S HN 0.187 nan 8.310 nan 0.000 0.484 342 V N 4.603 124.452 119.914 -0.108 0.000 2.555 342 V HA 0.139 4.494 4.120 0.392 0.000 0.286 342 V C 0.941 176.916 176.094 -0.198 0.000 1.044 342 V CA 0.128 62.297 62.300 -0.219 0.000 1.026 342 V CB 0.585 32.244 31.823 -0.273 0.000 0.981 342 V HN 0.866 nan 8.190 nan 0.000 0.480 343 L N 3.614 124.699 121.223 -0.230 0.000 2.470 343 L HA 0.536 5.111 4.340 0.392 0.000 0.219 343 L C 1.023 177.785 176.870 -0.179 0.000 1.071 343 L CA 0.837 55.586 54.840 -0.152 0.000 0.850 343 L CB 0.155 42.148 42.059 -0.110 0.000 1.040 343 L HN 0.854 nan 8.230 nan 0.000 0.475 344 G N -0.892 107.709 108.800 -0.332 0.000 2.320 344 G HA2 0.386 4.581 3.960 0.392 0.000 0.296 344 G HA3 0.386 4.581 3.960 0.392 0.000 0.296 344 G C -1.993 172.595 174.900 -0.520 0.000 1.306 344 G CA -0.690 44.224 45.100 -0.311 0.000 0.836 344 G HN -0.183 nan 8.290 nan 0.000 0.517 345 F N -0.084 119.885 119.950 0.030 0.000 2.563 345 F HA 0.756 5.517 4.527 0.391 0.000 0.316 345 F C 0.832 176.652 175.800 0.033 0.000 1.076 345 F CA -0.573 57.450 58.000 0.038 0.000 0.921 345 F CB 2.253 41.279 39.000 0.045 0.000 1.209 345 F HN 0.861 nan 8.300 nan 0.000 0.462 346 C N -0.670 118.762 119.300 0.219 0.000 3.323 346 C HA 0.656 5.351 4.460 0.392 0.000 0.324 346 C C -0.859 174.199 174.990 0.114 0.000 1.428 346 C CA -1.609 57.488 59.018 0.131 0.000 1.368 346 C CB 1.530 29.316 27.740 0.078 0.000 1.731 346 C HN 0.866 nan 8.230 nan 0.000 0.455 347 K N 1.397 121.843 120.400 0.077 0.000 2.436 347 K HA 0.189 4.744 4.320 0.392 0.000 0.275 347 K C 1.465 178.099 176.600 0.057 0.000 0.999 347 K CA 0.799 57.122 56.287 0.060 0.000 0.980 347 K CB 0.925 33.449 32.500 0.041 0.000 0.919 347 K HN 0.899 nan 8.250 nan 0.000 0.484 348 S N 0.707 116.437 115.700 0.050 0.000 2.419 348 S HA -0.185 4.520 4.470 0.392 0.000 0.233 348 S C 1.878 176.486 174.600 0.014 0.000 1.016 348 S CA 1.490 59.710 58.200 0.035 0.000 0.974 348 S CB -0.319 62.888 63.200 0.010 0.000 0.786 348 S HN 0.682 nan 8.310 nan 0.000 0.492 349 S N 1.980 117.687 115.700 0.012 0.000 2.419 349 S HA -0.167 4.538 4.470 0.392 0.000 0.235 349 S C 1.781 176.391 174.600 0.017 0.000 1.019 349 S CA 0.983 59.185 58.200 0.004 0.000 0.982 349 S CB -0.778 62.425 63.200 0.005 0.000 0.789 349 S HN 0.732 nan 8.310 nan 0.000 0.490 350 Q N 0.473 120.289 119.800 0.026 0.000 2.482 350 Q HA 0.209 4.784 4.340 0.392 0.000 0.209 350 Q C -0.529 175.494 176.000 0.039 0.000 0.961 350 Q CA 0.264 56.084 55.803 0.028 0.000 0.945 350 Q CB 0.140 28.891 28.738 0.023 0.000 1.012 350 Q HN 0.402 nan 8.270 nan 0.000 0.515 351 V N 2.095 122.040 119.914 0.052 0.000 2.325 351 V HA 0.162 4.517 4.120 0.392 0.000 0.280 351 V C -0.521 175.617 176.094 0.073 0.000 1.016 351 V CA -0.568 61.787 62.300 0.091 0.000 0.818 351 V CB 1.345 33.239 31.823 0.117 0.000 1.019 351 V HN 0.160 nan 8.190 nan 0.000 0.434 352 Q N 3.204 123.072 119.800 0.112 0.000 2.243 352 Q HA 0.346 4.921 4.340 0.392 0.000 0.252 352 Q C 1.281 177.141 176.000 -0.233 0.000 0.909 352 Q CA -0.633 55.153 55.803 -0.028 0.000 0.922 352 Q CB 1.883 30.637 28.738 0.027 0.000 1.215 352 Q HN 0.752 nan 8.270 nan 0.000 0.427 353 R N 3.054 123.205 120.500 -0.581 0.000 2.170 353 R HA -0.216 4.359 4.340 0.392 0.000 0.242 353 R C 1.643 177.451 176.300 -0.819 0.000 1.145 353 R CA 1.952 57.282 56.100 -1.282 0.000 0.984 353 R CB -0.241 29.454 30.300 -1.009 0.000 0.869 353 R HN 0.614 nan 8.270 nan 0.000 0.455 354 R N -0.208 119.985 120.500 -0.512 0.000 2.293 354 R HA -0.090 4.485 4.340 0.392 0.000 0.219 354 R C 0.703 176.728 176.300 -0.459 0.000 1.091 354 R CA 1.301 57.117 56.100 -0.475 0.000 1.004 354 R CB -0.373 29.599 30.300 -0.548 0.000 0.865 354 R HN 0.360 nan 8.270 nan 0.000 0.469 355 F N 0.352 120.233 119.950 -0.116 0.000 2.727 355 F HA 0.317 5.079 4.527 0.392 0.000 0.302 355 F C 0.339 176.230 175.800 0.151 0.000 1.097 355 F CA -0.805 57.198 58.000 0.006 0.000 1.330 355 F CB 0.309 39.313 39.000 0.006 0.000 1.084 355 F HN -0.160 nan 8.300 nan 0.000 0.578 356 F N 2.045 122.026 119.950 0.052 0.000 2.607 356 F HA 0.056 4.818 4.527 0.391 0.000 0.374 356 F C 0.742 176.534 175.800 -0.013 0.000 1.104 356 F CA -0.126 57.872 58.000 -0.003 0.000 1.296 356 F CB 0.437 39.423 39.000 -0.025 0.000 1.085 356 F HN -0.170 nan 8.300 nan 0.000 0.584 357 M N 1.586 121.245 119.600 0.099 0.000 2.755 357 M HA 0.615 5.330 4.480 0.392 0.000 0.298 357 M C 0.310 176.598 176.300 -0.020 0.000 1.251 357 M CA -0.406 54.914 55.300 0.033 0.000 0.817 357 M CB 1.679 34.276 32.600 -0.005 0.000 1.760 357 M HN 0.773 nan 8.290 nan 0.000 0.473 358 G N 1.492 110.292 108.800 -0.001 0.000 2.728 358 G HA2 -0.180 4.015 3.960 0.392 0.000 0.294 358 G HA3 -0.180 4.015 3.960 0.392 0.000 0.294 358 G C -0.644 174.256 174.900 -0.001 0.000 1.342 358 G CA -0.591 44.506 45.100 -0.005 0.000 0.866 358 G HN 0.775 nan 8.290 nan 0.000 0.534 359 N N 1.214 119.911 118.700 -0.006 0.000 2.517 359 N HA 0.200 5.175 4.740 0.392 0.000 0.285 359 N C 0.236 175.737 175.510 -0.015 0.000 1.528 359 N CA 0.676 53.723 53.050 -0.004 0.000 0.892 359 N CB 0.996 39.483 38.487 0.000 0.000 1.356 359 N HN 0.982 nan 8.380 nan 0.000 0.495 360 Q N -1.575 118.207 119.800 -0.030 0.000 2.702 360 Q HA 0.452 5.027 4.340 0.392 0.000 0.289 360 Q C -2.114 173.842 176.000 -0.072 0.000 0.923 360 Q CA -0.742 55.038 55.803 -0.040 0.000 0.787 360 Q CB 1.304 30.016 28.738 -0.043 0.000 1.476 360 Q HN -0.154 nan 8.270 nan 0.000 0.402 361 V N 1.609 121.482 119.914 -0.068 0.000 2.709 361 V HA 0.571 4.926 4.120 0.392 0.000 0.308 361 V C -0.742 175.302 176.094 -0.082 0.000 1.062 361 V CA -0.697 61.538 62.300 -0.109 0.000 0.901 361 V CB 1.819 33.587 31.823 -0.091 0.000 1.003 361 V HN 0.685 nan 8.190 nan 0.000 0.425 362 L N 3.990 125.160 121.223 -0.088 0.000 2.362 362 L HA 0.611 5.186 4.340 0.392 0.000 0.275 362 L C -0.249 176.553 176.870 -0.114 0.000 0.998 362 L CA -0.681 54.115 54.840 -0.073 0.000 0.820 362 L CB 2.133 44.124 42.059 -0.114 0.000 1.270 362 L HN 0.512 nan 8.230 nan 0.000 0.415 363 K N 2.394 122.743 120.400 -0.085 0.000 2.185 363 K HA 0.582 5.137 4.320 0.392 0.000 0.269 363 K C -1.148 175.322 176.600 -0.217 0.000 0.987 363 K CA -0.610 55.548 56.287 -0.215 0.000 0.865 363 K CB 2.377 34.766 32.500 -0.186 0.000 1.090 363 K HN 0.245 nan 8.250 nan 0.000 0.450 364 V N 5.179 124.871 119.914 -0.370 0.000 2.384 364 V HA 0.438 4.793 4.120 0.392 0.000 0.287 364 V C -0.686 175.193 176.094 -0.358 0.000 1.020 364 V CA -0.700 61.438 62.300 -0.270 0.000 0.850 364 V CB 0.385 32.035 31.823 -0.288 0.000 0.987 364 V HN 0.578 nan 8.190 nan 0.000 0.436 365 F N 1.842 121.848 119.950 0.093 0.000 2.613 365 F HA 0.819 5.581 4.527 0.392 0.000 0.342 365 F C 0.744 176.585 175.800 0.069 0.000 1.066 365 F CA -0.887 57.171 58.000 0.097 0.000 1.002 365 F CB 1.299 40.376 39.000 0.129 0.000 1.319 365 F HN 0.530 nan 8.300 nan 0.000 0.495 366 A N 0.763 123.756 122.820 0.289 0.000 2.386 366 A HA 0.616 5.171 4.320 0.392 0.000 0.248 366 A C 0.011 177.684 177.584 0.149 0.000 1.082 366 A CA -0.198 51.935 52.037 0.161 0.000 0.789 366 A CB -0.243 18.836 19.000 0.132 0.000 1.025 366 A HN 0.993 nan 8.150 nan 0.000 0.490 367 A N 1.386 124.256 122.820 0.084 0.000 2.586 367 A HA 0.271 4.826 4.320 0.392 0.000 0.231 367 A C 0.955 178.567 177.584 0.047 0.000 1.055 367 A CA 0.137 52.210 52.037 0.059 0.000 0.756 367 A CB -0.103 18.908 19.000 0.018 0.000 0.988 367 A HN 0.931 nan 8.150 nan 0.000 0.509 368 R N 1.262 121.774 120.500 0.020 0.000 2.522 368 R HA 0.075 4.650 4.340 0.392 0.000 0.284 368 R C -0.479 175.808 176.300 -0.021 0.000 1.032 368 R CA 0.756 56.846 56.100 -0.016 0.000 1.049 368 R CB -0.067 30.193 30.300 -0.066 0.000 0.956 368 R HN 0.860 nan 8.270 nan 0.000 0.422 369 D N 0.975 121.364 120.400 -0.018 0.000 3.079 369 D HA -0.201 4.674 4.640 0.392 0.000 0.214 369 D C -0.809 175.490 176.300 -0.002 0.000 1.145 369 D CA 1.336 55.327 54.000 -0.014 0.000 0.958 369 D CB -0.622 40.164 40.800 -0.024 0.000 1.117 369 D HN 0.637 nan 8.370 nan 0.000 0.416 370 D N 0.801 121.206 120.400 0.009 0.000 2.473 370 D HA 0.133 5.008 4.640 0.392 0.000 0.226 370 D C 1.152 177.467 176.300 0.026 0.000 1.089 370 D CA -0.172 53.837 54.000 0.014 0.000 0.883 370 D CB 0.787 41.596 40.800 0.016 0.000 1.029 370 D HN 0.220 nan 8.370 nan 0.000 0.517 371 E N 2.918 123.131 120.200 0.022 0.000 2.077 371 E HA -0.217 4.368 4.350 0.392 0.000 0.193 371 E C 1.645 178.265 176.600 0.034 0.000 0.989 371 E CA 1.164 57.581 56.400 0.029 0.000 0.800 371 E CB 0.227 29.940 29.700 0.022 0.000 0.746 371 E HN 0.517 nan 8.360 nan 0.000 0.452 372 A N 1.337 124.174 122.820 0.028 0.000 1.883 372 A HA -0.166 4.389 4.320 0.392 0.000 0.217 372 A C 2.440 180.048 177.584 0.039 0.000 1.186 372 A CA 2.111 54.166 52.037 0.030 0.000 0.624 372 A CB -0.949 18.064 19.000 0.023 0.000 0.822 372 A HN 0.442 nan 8.150 nan 0.000 0.444 373 A N -0.289 122.555 122.820 0.039 0.000 1.902 373 A HA 0.157 4.712 4.320 0.392 0.000 0.217 373 A C 2.517 180.141 177.584 0.067 0.000 1.181 373 A CA 2.163 54.229 52.037 0.049 0.000 0.623 373 A CB -1.038 17.987 19.000 0.042 0.000 0.818 373 A HN 1.101 nan 8.150 nan 0.000 0.443 374 A N -0.580 122.282 122.820 0.071 0.000 1.902 374 A HA -0.023 4.532 4.320 0.392 0.000 0.217 374 A C 2.238 179.877 177.584 0.092 0.000 1.181 374 A CA 1.863 53.955 52.037 0.091 0.000 0.623 374 A CB -0.950 18.100 19.000 0.084 0.000 0.818 374 A HN 0.398 nan 8.150 nan 0.000 0.443 375 V N -0.198 119.760 119.914 0.072 0.000 2.358 375 V HA -0.226 4.129 4.120 0.392 0.000 0.246 375 V C 3.053 179.191 176.094 0.074 0.000 1.047 375 V CA 1.866 64.206 62.300 0.068 0.000 1.035 375 V CB -1.240 30.611 31.823 0.048 0.000 0.658 375 V HN 0.628 nan 8.190 nan 0.000 0.452 376 A N -0.131 122.730 122.820 0.069 0.000 1.865 376 A HA -0.222 4.333 4.320 0.392 0.000 0.217 376 A C 2.174 179.812 177.584 0.090 0.000 1.191 376 A CA 2.217 54.297 52.037 0.072 0.000 0.623 376 A CB -0.669 18.370 19.000 0.065 0.000 0.826 376 A HN 0.436 nan 8.150 nan 0.000 0.444 377 L N -0.131 121.151 121.223 0.098 0.000 2.083 377 L HA -0.091 4.485 4.340 0.392 0.000 0.209 377 L C 2.636 179.581 176.870 0.125 0.000 1.083 377 L CA 2.418 57.325 54.840 0.112 0.000 0.752 377 L CB -0.638 41.488 42.059 0.111 0.000 0.899 377 L HN 0.380 nan 8.230 nan 0.000 0.433 378 S N -1.666 114.117 115.700 0.138 0.000 2.399 378 S HA -0.178 4.527 4.470 0.392 0.000 0.231 378 S C 2.104 176.828 174.600 0.206 0.000 1.022 378 S CA 1.547 59.861 58.200 0.190 0.000 0.983 378 S CB -0.276 63.036 63.200 0.186 0.000 0.803 378 S HN 0.633 nan 8.310 nan 0.000 0.480 379 S N 1.386 117.167 115.700 0.135 0.000 2.356 379 S HA 0.014 4.719 4.470 0.392 0.000 0.223 379 S C 1.741 176.404 174.600 0.105 0.000 1.032 379 S CA 1.201 59.466 58.200 0.109 0.000 1.005 379 S CB -0.592 62.651 63.200 0.071 0.000 0.867 379 S HN 0.509 nan 8.310 nan 0.000 0.449 380 L N 1.203 122.485 121.223 0.098 0.000 1.989 380 L HA -0.151 4.424 4.340 0.392 0.000 0.211 380 L C 2.178 179.097 176.870 0.082 0.000 1.071 380 L CA 1.557 56.448 54.840 0.085 0.000 0.749 380 L CB -0.479 41.661 42.059 0.135 0.000 0.890 380 L HN 0.332 nan 8.230 nan 0.000 0.431 381 I N -0.876 119.747 120.570 0.088 0.000 2.087 381 I HA -0.425 3.980 4.170 0.392 0.000 0.240 381 I C 2.539 178.633 176.117 -0.038 0.000 1.054 381 I CA 1.553 62.868 61.300 0.026 0.000 1.311 381 I CB -0.668 37.323 38.000 -0.016 0.000 1.024 381 I HN 0.381 nan 8.210 nan 0.000 0.402 382 H N 0.253 119.354 119.070 0.052 0.000 2.423 382 H HA -0.039 4.751 4.556 0.392 0.000 0.297 382 H C 2.297 177.637 175.328 0.020 0.000 1.075 382 H CA 1.468 57.538 56.048 0.037 0.000 1.342 382 H CB -0.017 29.764 29.762 0.031 0.000 1.395 382 H HN 0.402 nan 8.280 nan 0.000 0.530 383 A N 1.028 123.908 122.820 0.100 0.000 1.898 383 A HA -0.082 4.473 4.320 0.392 0.000 0.216 383 A C 2.664 180.245 177.584 -0.005 0.000 1.181 383 A CA 0.783 52.834 52.037 0.024 0.000 0.620 383 A CB -0.747 18.233 19.000 -0.034 0.000 0.819 383 A HN 0.249 nan 8.150 nan 0.000 0.442 384 L N -0.647 120.575 121.223 -0.002 0.000 2.046 384 L HA -0.191 4.384 4.340 0.392 0.000 0.208 384 L C 2.403 179.299 176.870 0.043 0.000 1.077 384 L CA 1.827 56.679 54.840 0.021 0.000 0.747 384 L CB -0.614 41.497 42.059 0.086 0.000 0.896 384 L HN 0.482 nan 8.230 nan 0.000 0.432 385 D N 0.222 120.644 120.400 0.037 0.000 2.097 385 D HA -0.217 4.658 4.640 0.392 0.000 0.195 385 D C 1.560 177.885 176.300 0.041 0.000 0.989 385 D CA 1.343 55.362 54.000 0.033 0.000 0.827 385 D CB 0.080 40.871 40.800 -0.015 0.000 0.966 385 D HN 0.177 nan 8.370 nan 0.000 0.456 386 D N -0.948 119.483 120.400 0.052 0.000 2.350 386 D HA -0.004 4.871 4.640 0.392 0.000 0.216 386 D C 1.217 177.535 176.300 0.029 0.000 0.968 386 D CA 0.509 54.539 54.000 0.049 0.000 0.894 386 D CB 0.162 40.999 40.800 0.061 0.000 0.909 386 D HN 0.324 nan 8.370 nan 0.000 0.520 387 L N -0.562 120.674 121.223 0.022 0.000 2.766 387 L HA 0.128 4.703 4.340 0.392 0.000 0.242 387 L C 0.041 176.926 176.870 0.024 0.000 1.136 387 L CA -0.154 54.694 54.840 0.013 0.000 0.933 387 L CB 0.314 42.368 42.059 -0.008 0.000 1.241 387 L HN -0.116 nan 8.230 nan 0.000 0.522 388 D N 1.131 121.551 120.400 0.032 0.000 2.689 388 D HA -0.227 4.648 4.640 0.392 0.000 0.237 388 D C -0.123 176.206 176.300 0.049 0.000 1.148 388 D CA 1.088 55.110 54.000 0.036 0.000 0.656 388 D CB -0.498 40.317 40.800 0.026 0.000 1.050 388 D HN 0.233 nan 8.370 nan 0.000 0.426 389 M N -0.988 118.652 119.600 0.067 0.000 2.775 389 M HA 0.707 5.422 4.480 0.392 0.000 0.296 389 M C 0.010 176.401 176.300 0.153 0.000 1.248 389 M CA -1.103 54.257 55.300 0.100 0.000 0.800 389 M CB 2.432 35.089 32.600 0.094 0.000 1.765 389 M HN 0.001 nan 8.290 nan 0.000 0.472 390 V N -1.991 118.048 119.914 0.208 0.000 3.181 390 V HA 1.009 5.364 4.120 0.392 0.000 0.308 390 V C -1.235 175.051 176.094 0.321 0.000 1.214 390 V CA -1.077 61.379 62.300 0.260 0.000 1.053 390 V CB 1.500 33.460 31.823 0.227 0.000 1.069 390 V HN 0.951 nan 8.190 nan 0.000 0.441 391 A N 2.409 125.396 122.820 0.278 0.000 2.312 391 A HA 0.872 5.427 4.320 0.392 0.000 0.326 391 A C -0.589 176.975 177.584 -0.034 0.000 1.172 391 A CA -0.662 51.422 52.037 0.079 0.000 0.821 391 A CB 0.744 19.792 19.000 0.080 0.000 1.166 391 A HN 0.786 nan 8.150 nan 0.000 0.493 392 I N 3.669 124.145 120.570 -0.156 0.000 2.355 392 I HA 0.417 4.822 4.170 0.392 0.000 0.288 392 I C 0.145 176.155 176.117 -0.179 0.000 0.999 392 I CA -0.271 60.957 61.300 -0.119 0.000 1.163 392 I CB 0.711 38.654 38.000 -0.095 0.000 1.316 392 I HN 0.535 nan 8.210 nan 0.000 0.454 393 V N 4.570 124.388 119.914 -0.160 0.000 3.126 393 V HA 0.678 5.033 4.120 0.392 0.000 0.314 393 V C -0.317 175.679 176.094 -0.162 0.000 1.138 393 V CA -1.178 60.982 62.300 -0.233 0.000 1.034 393 V CB 2.469 34.007 31.823 -0.476 0.000 1.075 393 V HN 0.796 nan 8.190 nan 0.000 0.442 394 R N 1.458 121.856 120.500 -0.169 0.000 2.255 394 R HA 0.516 5.092 4.340 0.392 0.000 0.326 394 R C -1.873 174.378 176.300 -0.081 0.000 0.986 394 R CA -0.518 55.544 56.100 -0.065 0.000 0.847 394 R CB 1.060 31.347 30.300 -0.021 0.000 1.111 394 R HN 0.936 nan 8.270 nan 0.000 0.452 395 Y N 3.060 123.265 120.300 -0.159 0.000 2.376 395 Y HA 0.626 5.412 4.550 0.392 0.000 0.340 395 Y C -1.612 174.278 175.900 -0.018 0.000 0.965 395 Y CA -0.759 57.241 58.100 -0.167 0.000 1.078 395 Y CB 2.015 40.194 38.460 -0.469 0.000 1.193 395 Y HN 0.703 nan 8.280 nan 0.000 0.452 396 A N 6.089 128.536 122.820 -0.621 0.000 2.446 396 A HA 0.301 4.856 4.320 0.392 0.000 0.282 396 A C -0.716 176.559 177.584 -0.515 0.000 1.102 396 A CA -0.676 51.075 52.037 -0.476 0.000 0.737 396 A CB -0.001 18.931 19.000 -0.113 0.000 1.212 396 A HN 0.985 nan 8.150 nan 0.000 0.434 397 Y N 2.990 122.835 120.300 -0.757 0.000 2.040 397 Y HA -0.156 4.628 4.550 0.391 0.000 0.275 397 Y C 0.776 176.713 175.900 0.062 0.000 1.171 397 Y CA 3.024 60.881 58.100 -0.405 0.000 1.123 397 Y CB 0.182 38.469 38.460 -0.288 0.000 0.963 397 Y HN 0.816 nan 8.280 nan 0.000 0.493 398 D N -2.795 117.625 120.400 0.033 0.000 2.752 398 D HA 0.131 5.006 4.640 0.392 0.000 0.313 398 D C 0.224 176.541 176.300 0.028 0.000 1.225 398 D CA -0.299 53.700 54.000 -0.002 0.000 0.976 398 D CB 0.377 41.177 40.800 -0.001 0.000 1.443 398 D HN 0.089 nan 8.370 nan 0.000 0.515 399 K N -0.521 119.886 120.400 0.012 0.000 2.442 399 K HA -0.118 4.437 4.320 0.392 0.000 0.198 399 K C 1.574 178.192 176.600 0.029 0.000 1.044 399 K CA 0.870 57.163 56.287 0.010 0.000 0.948 399 K CB 0.202 32.696 32.500 -0.009 0.000 0.762 399 K HN 0.349 nan 8.250 nan 0.000 0.472 400 R N 0.915 121.447 120.500 0.052 0.000 2.128 400 R HA 0.168 4.743 4.340 0.392 0.000 0.211 400 R C 0.262 176.609 176.300 0.079 0.000 1.067 400 R CA 0.561 56.698 56.100 0.062 0.000 1.010 400 R CB 0.005 30.345 30.300 0.067 0.000 0.922 400 R HN 0.203 nan 8.270 nan 0.000 0.457 401 A N 2.305 125.181 122.820 0.094 0.000 2.498 401 A HA 0.104 4.659 4.320 0.392 0.000 0.239 401 A C -0.582 177.050 177.584 0.080 0.000 1.068 401 A CA -0.309 51.776 52.037 0.081 0.000 0.766 401 A CB 0.066 19.120 19.000 0.089 0.000 1.003 401 A HN 0.459 nan 8.150 nan 0.000 0.497 402 N N 2.705 121.451 118.700 0.077 0.000 2.492 402 N HA 0.235 5.210 4.740 0.392 0.000 0.262 402 N C -2.299 173.266 175.510 0.091 0.000 1.202 402 N CA -0.680 52.422 53.050 0.086 0.000 0.926 402 N CB 0.363 38.891 38.487 0.069 0.000 1.078 402 N HN 0.494 nan 8.380 nan 0.000 0.454 403 P HA 0.116 nan 4.420 nan 0.000 0.274 403 P C -0.883 176.542 177.300 0.207 0.000 1.231 403 P CA -0.107 63.059 63.100 0.109 0.000 0.790 403 P CB 1.092 32.868 31.700 0.126 0.000 0.951 404 Q N 0.144 120.045 119.800 0.168 0.000 2.433 404 Q HA 0.610 5.185 4.340 0.392 0.000 0.279 404 Q C -0.898 175.139 176.000 0.061 0.000 1.105 404 Q CA -1.264 54.622 55.803 0.138 0.000 0.815 404 Q CB 2.178 31.032 28.738 0.192 0.000 1.403 404 Q HN 0.159 nan 8.270 nan 0.000 0.435 405 V N 0.364 120.181 119.914 -0.162 0.000 2.547 405 V HA 0.902 5.257 4.120 0.392 0.000 0.299 405 V C 0.183 176.208 176.094 -0.116 0.000 1.040 405 V CA -0.313 61.914 62.300 -0.122 0.000 0.913 405 V CB 1.479 33.184 31.823 -0.198 0.000 0.992 405 V HN 0.936 nan 8.190 nan 0.000 0.449 406 G N 1.593 110.370 108.800 -0.039 0.000 2.600 406 G HA2 0.576 4.771 3.960 0.392 0.000 0.293 406 G HA3 0.576 4.771 3.960 0.392 0.000 0.293 406 G C -1.859 172.958 174.900 -0.139 0.000 1.408 406 G CA -0.472 44.542 45.100 -0.144 0.000 0.782 406 G HN 0.682 nan 8.290 nan 0.000 0.482 407 V N -0.436 119.311 119.914 -0.277 0.000 2.581 407 V HA 0.837 5.192 4.120 0.392 0.000 0.303 407 V C -0.172 175.871 176.094 -0.086 0.000 1.041 407 V CA -0.166 62.074 62.300 -0.100 0.000 0.907 407 V CB 1.484 33.314 31.823 0.011 0.000 0.994 407 V HN 1.735 nan 8.190 nan 0.000 0.442 408 A N 6.894 129.757 122.820 0.071 0.000 2.363 408 A HA 0.811 5.366 4.320 0.392 0.000 0.296 408 A C -0.873 176.799 177.584 0.148 0.000 1.237 408 A CA -0.497 51.594 52.037 0.090 0.000 0.773 408 A CB 0.456 19.597 19.000 0.235 0.000 1.153 408 A HN 1.156 nan 8.150 nan 0.000 0.473 409 F N 1.966 121.954 119.950 0.063 0.000 2.507 409 F HA 0.852 5.614 4.527 0.391 0.000 0.327 409 F C -2.637 173.214 175.800 0.085 0.000 1.068 409 F CA -3.544 54.504 58.000 0.080 0.000 0.965 409 F CB 1.042 40.086 39.000 0.072 0.000 1.192 409 F HN 0.262 nan 8.300 nan 0.000 0.476 410 P HA 0.017 nan 4.420 nan 0.000 0.268 410 P C -1.318 176.151 177.300 0.283 0.000 1.204 410 P CA 0.476 63.693 63.100 0.194 0.000 0.768 410 P CB 0.658 32.426 31.700 0.114 0.000 0.842 411 H N 3.391 122.491 119.070 0.049 0.000 2.953 411 H HA 0.490 5.280 4.556 0.391 0.000 0.290 411 H C -0.768 174.560 175.328 -0.000 0.000 1.113 411 H CA -0.517 55.566 56.048 0.057 0.000 1.454 411 H CB -0.363 29.422 29.762 0.039 0.000 1.525 411 H HN 0.222 nan 8.280 nan 0.000 0.505 412 I N 5.180 125.624 120.570 -0.210 0.000 2.330 412 I HA 0.305 4.710 4.170 0.392 0.000 0.289 412 I C -0.108 175.838 176.117 -0.285 0.000 1.001 412 I CA -0.660 60.511 61.300 -0.214 0.000 1.193 412 I CB 0.842 38.740 38.000 -0.170 0.000 1.345 412 I HN 0.294 nan 8.210 nan 0.000 0.461 413 K N 4.141 124.342 120.400 -0.331 0.000 2.246 413 K HA 0.412 4.967 4.320 0.392 0.000 0.239 413 K C 0.837 177.341 176.600 -0.161 0.000 1.089 413 K CA -0.625 55.467 56.287 -0.326 0.000 0.892 413 K CB 0.737 32.834 32.500 -0.671 0.000 1.334 413 K HN 0.593 nan 8.250 nan 0.000 0.507 414 H N -0.283 118.688 119.070 -0.165 0.000 2.497 414 H HA 0.080 4.871 4.556 0.391 0.000 0.282 414 H C 0.516 175.816 175.328 -0.046 0.000 1.003 414 H CA 1.116 57.120 56.048 -0.075 0.000 1.307 414 H CB 0.077 29.810 29.762 -0.048 0.000 1.437 414 H HN 0.440 nan 8.280 nan 0.000 0.544 415 N N 0.412 118.789 118.700 -0.538 0.000 2.405 415 N HA 0.056 5.031 4.740 0.392 0.000 0.175 415 N C -0.179 175.345 175.510 0.022 0.000 1.051 415 N CA 0.512 53.429 53.050 -0.220 0.000 0.899 415 N CB 0.103 38.464 38.487 -0.210 0.000 1.000 415 N HN 0.541 nan 8.380 nan 0.000 0.451 416 Y N -1.991 118.279 120.300 -0.050 0.000 2.677 416 Y HA 0.601 5.385 4.550 0.390 0.000 0.334 416 Y C -1.906 174.054 175.900 0.099 0.000 1.196 416 Y CA -1.620 56.521 58.100 0.068 0.000 1.059 416 Y CB 0.816 39.356 38.460 0.134 0.000 1.315 416 Y HN -0.122 nan 8.280 nan 0.000 0.455 417 E N 1.419 121.875 120.200 0.427 0.000 2.312 417 E HA 0.762 5.347 4.350 0.392 0.000 0.267 417 E C -1.206 175.582 176.600 0.313 0.000 0.894 417 E CA -0.927 55.630 56.400 0.261 0.000 0.773 417 E CB 2.771 32.561 29.700 0.150 0.000 1.241 417 E HN 1.095 nan 8.360 nan 0.000 0.432 418 C N -0.477 118.910 119.300 0.145 0.000 3.249 418 C HA 0.587 5.282 4.460 0.392 0.000 0.350 418 C C -1.664 173.292 174.990 -0.056 0.000 1.431 418 C CA -1.033 57.938 59.018 -0.077 0.000 1.209 418 C CB -0.091 27.299 27.740 -0.583 0.000 1.546 418 C HN 0.758 nan 8.230 nan 0.000 0.450 419 L N 1.492 122.628 121.223 -0.146 0.000 2.325 419 L HA 0.746 5.321 4.340 0.392 0.000 0.278 419 L C -0.325 176.377 176.870 -0.279 0.000 1.023 419 L CA -0.665 54.102 54.840 -0.122 0.000 0.811 419 L CB 1.761 43.815 42.059 -0.009 0.000 1.249 419 L HN 0.661 nan 8.230 nan 0.000 0.431 420 V N 2.596 122.196 119.914 -0.525 0.000 2.427 420 V HA 0.257 4.612 4.120 0.392 0.000 0.286 420 V C -0.900 174.798 176.094 -0.660 0.000 1.034 420 V CA -0.549 61.312 62.300 -0.733 0.000 0.893 420 V CB 1.490 32.551 31.823 -1.269 0.000 0.982 420 V HN 0.470 nan 8.190 nan 0.000 0.452 421 Y N 5.246 125.276 120.300 -0.450 0.000 2.341 421 Y HA 0.738 5.523 4.550 0.391 0.000 0.337 421 Y C -0.651 175.031 175.900 -0.364 0.000 1.014 421 Y CA -0.590 57.321 58.100 -0.316 0.000 1.111 421 Y CB 1.720 40.083 38.460 -0.161 0.000 1.194 421 Y HN 0.388 nan 8.280 nan 0.000 0.462 422 V N 6.179 125.287 119.914 -1.345 0.000 2.808 422 V HA 0.249 4.604 4.120 0.392 0.000 0.308 422 V C -0.657 174.697 176.094 -1.232 0.000 1.099 422 V CA -1.185 60.440 62.300 -1.125 0.000 0.920 422 V CB 1.702 32.862 31.823 -1.104 0.000 1.014 422 V HN 0.807 nan 8.190 nan 0.000 0.425 423 Q N 3.099 122.426 119.800 -0.788 0.000 2.364 423 Q HA 0.506 5.081 4.340 0.392 0.000 0.267 423 Q C -1.229 174.588 176.000 -0.306 0.000 0.999 423 Q CA -0.069 55.480 55.803 -0.424 0.000 0.886 423 Q CB 0.930 29.581 28.738 -0.144 0.000 1.243 423 Q HN 0.679 nan 8.270 nan 0.000 0.415 424 L N 4.863 125.934 121.223 -0.253 0.000 2.365 424 L HA 0.637 5.212 4.340 0.392 0.000 0.267 424 L C -2.033 174.700 176.870 -0.228 0.000 1.033 424 L CA -2.413 52.330 54.840 -0.163 0.000 0.802 424 L CB 1.647 43.616 42.059 -0.149 0.000 1.267 424 L HN 0.703 nan 8.230 nan 0.000 0.457 425 P HA 0.235 nan 4.420 nan 0.000 0.282 425 P C -1.239 175.942 177.300 -0.199 0.000 1.259 425 P CA -0.288 62.722 63.100 -0.150 0.000 0.826 425 P CB 0.818 32.518 31.700 0.000 0.000 1.064 426 F N 1.111 121.046 119.950 -0.025 0.000 2.377 426 F HA 0.255 5.017 4.527 0.392 0.000 0.328 426 F C 2.460 178.230 175.800 -0.049 0.000 1.094 426 F CA -0.888 57.087 58.000 -0.042 0.000 1.093 426 F CB 1.119 40.096 39.000 -0.039 0.000 1.214 426 F HN 0.269 nan 8.300 nan 0.000 0.518 427 M N 1.175 120.872 119.600 0.162 0.000 2.143 427 M HA -0.245 4.470 4.480 0.392 0.000 0.258 427 M C 1.209 177.536 176.300 0.045 0.000 1.071 427 M CA 2.112 57.444 55.300 0.053 0.000 1.088 427 M CB -0.353 32.263 32.600 0.026 0.000 1.360 427 M HN 0.693 nan 8.290 nan 0.000 0.404 428 E N 0.485 120.721 120.200 0.060 0.000 2.516 428 E HA -0.111 4.474 4.350 0.392 0.000 0.199 428 E C 1.026 177.656 176.600 0.050 0.000 1.069 428 E CA 0.878 57.296 56.400 0.030 0.000 0.876 428 E CB -0.137 29.560 29.700 -0.005 0.000 0.843 428 E HN 0.578 nan 8.360 nan 0.000 0.530 429 D N -0.282 120.168 120.400 0.084 0.000 2.366 429 D HA 0.058 4.933 4.640 0.392 0.000 0.205 429 D C 0.385 176.714 176.300 0.049 0.000 1.022 429 D CA 0.166 54.213 54.000 0.078 0.000 0.868 429 D CB 0.417 41.281 40.800 0.107 0.000 0.953 429 D HN 0.189 nan 8.370 nan 0.000 0.514 430 L N 0.636 121.878 121.223 0.031 0.000 2.399 430 L HA 0.435 5.010 4.340 0.392 0.000 0.266 430 L C 0.413 177.248 176.870 -0.059 0.000 1.114 430 L CA -0.339 54.511 54.840 0.017 0.000 0.804 430 L CB 0.900 42.968 42.059 0.015 0.000 1.146 430 L HN -0.401 nan 8.230 nan 0.000 0.451 431 R N 1.380 121.803 120.500 -0.128 0.000 2.500 431 R HA 0.211 4.786 4.340 0.392 0.000 0.299 431 R C -0.835 175.270 176.300 -0.324 0.000 1.038 431 R CA -0.485 55.399 56.100 -0.359 0.000 0.903 431 R CB 1.745 31.636 30.300 -0.681 0.000 1.177 431 R HN 0.559 nan 8.270 nan 0.000 0.455 432 Q N 3.095 122.783 119.800 -0.186 0.000 3.122 432 Q HA 0.139 4.714 4.340 0.392 0.000 0.360 432 Q C -0.785 175.266 176.000 0.086 0.000 1.300 432 Q CA -0.105 55.686 55.803 -0.020 0.000 0.982 432 Q CB 0.210 28.963 28.738 0.025 0.000 1.534 432 Q HN 0.540 nan 8.270 nan 0.000 0.474 433 Y N 0.510 120.885 120.300 0.125 0.000 2.544 433 Y HA 0.034 4.819 4.550 0.392 0.000 0.330 433 Y C 0.883 176.828 175.900 0.074 0.000 1.136 433 Y CA -0.322 57.800 58.100 0.038 0.000 1.417 433 Y CB 0.483 38.968 38.460 0.041 0.000 1.229 433 Y HN 0.193 nan 8.280 nan 0.000 0.532 434 M N 4.076 123.735 119.600 0.100 0.000 2.249 434 M HA 0.287 5.002 4.480 0.392 0.000 0.351 434 M C -1.262 174.989 176.300 -0.082 0.000 1.180 434 M CA 0.037 55.401 55.300 0.106 0.000 1.127 434 M CB 0.689 33.320 32.600 0.052 0.000 1.546 434 M HN 0.471 nan 8.290 nan 0.000 0.461 435 F N -0.030 119.957 119.950 0.061 0.000 2.540 435 F HA 0.341 5.103 4.527 0.392 0.000 0.317 435 F C 0.414 176.238 175.800 0.040 0.000 1.104 435 F CA -0.742 57.285 58.000 0.045 0.000 0.913 435 F CB 1.827 40.851 39.000 0.040 0.000 1.170 435 F HN 0.411 nan 8.300 nan 0.000 0.450 436 S N 1.125 116.937 115.700 0.185 0.000 2.560 436 S HA 0.133 4.838 4.470 0.392 0.000 0.284 436 S C -0.044 174.644 174.600 0.146 0.000 1.327 436 S CA -0.539 57.743 58.200 0.136 0.000 1.055 436 S CB 0.349 63.620 63.200 0.119 0.000 0.868 436 S HN 0.572 nan 8.310 nan 0.000 0.506 437 S N 2.463 118.228 115.700 0.108 0.000 2.562 437 S HA 0.157 4.862 4.470 0.392 0.000 0.281 437 S C 1.123 175.783 174.600 0.100 0.000 1.333 437 S CA -0.464 57.790 58.200 0.090 0.000 1.052 437 S CB 0.307 63.546 63.200 0.064 0.000 0.884 437 S HN 0.582 nan 8.310 nan 0.000 0.506 438 L N 1.898 123.173 121.223 0.088 0.000 2.500 438 L HA 0.193 4.768 4.340 0.392 0.000 0.219 438 L C 2.376 179.293 176.870 0.078 0.000 1.057 438 L CA 0.273 55.174 54.840 0.102 0.000 0.854 438 L CB -0.247 41.862 42.059 0.082 0.000 1.078 438 L HN 0.622 nan 8.230 nan 0.000 0.480 439 K N 0.872 121.304 120.400 0.053 0.000 2.001 439 K HA -0.089 4.466 4.320 0.392 0.000 0.208 439 K C 0.771 177.394 176.600 0.039 0.000 1.048 439 K CA 1.190 57.501 56.287 0.041 0.000 0.932 439 K CB 0.130 32.647 32.500 0.028 0.000 0.715 439 K HN 0.225 nan 8.250 nan 0.000 0.437 440 N N 1.787 120.509 118.700 0.037 0.000 2.843 440 N HA -0.025 4.950 4.740 0.392 0.000 0.284 440 N C -0.935 174.591 175.510 0.027 0.000 1.274 440 N CA 0.120 53.186 53.050 0.027 0.000 1.045 440 N CB 0.787 39.288 38.487 0.025 0.000 1.370 440 N HN 0.052 nan 8.380 nan 0.000 0.525 441 S N 0.571 116.292 115.700 0.034 0.000 2.480 441 S HA 0.244 4.949 4.470 0.392 0.000 0.286 441 S C 0.864 175.446 174.600 -0.030 0.000 1.180 441 S CA -0.481 57.730 58.200 0.020 0.000 1.075 441 S CB 0.691 63.941 63.200 0.083 0.000 0.996 441 S HN 0.061 nan 8.310 nan 0.000 0.487 442 K N 3.813 124.166 120.400 -0.078 0.000 2.440 442 K HA 0.290 4.845 4.320 0.392 0.000 0.206 442 K C 0.498 176.993 176.600 -0.174 0.000 1.025 442 K CA 0.096 56.328 56.287 -0.093 0.000 1.135 442 K CB 0.351 32.809 32.500 -0.070 0.000 0.856 442 K HN 0.591 nan 8.250 nan 0.000 0.502 443 K N -1.158 119.058 120.400 -0.306 0.000 2.567 443 K HA 0.165 4.720 4.320 0.392 0.000 0.199 443 K C 0.599 176.882 176.600 -0.529 0.000 1.412 443 K CA 0.199 56.148 56.287 -0.563 0.000 1.020 443 K CB 0.624 32.482 32.500 -1.070 0.000 1.487 443 K HN 0.006 nan 8.250 nan 0.000 0.531 444 Y N 1.051 121.369 120.300 0.031 0.000 2.636 444 Y HA 0.419 5.204 4.550 0.392 0.000 0.260 444 Y C 0.333 176.263 175.900 0.050 0.000 1.177 444 Y CA -0.903 57.223 58.100 0.043 0.000 1.209 444 Y CB 0.875 39.361 38.460 0.043 0.000 1.166 444 Y HN -0.063 nan 8.280 nan 0.000 0.531 445 A N 3.285 126.176 122.820 0.118 0.000 2.492 445 A HA 0.269 4.824 4.320 0.392 0.000 0.254 445 A C -1.861 175.781 177.584 0.097 0.000 1.091 445 A CA -1.138 50.955 52.037 0.094 0.000 0.768 445 A CB -0.318 18.709 19.000 0.045 0.000 1.028 445 A HN 0.152 nan 8.150 nan 0.000 0.498 446 P HA 0.268 nan 4.420 nan 0.000 0.277 446 P C 0.275 177.601 177.300 0.044 0.000 1.240 446 P CA -0.133 63.034 63.100 0.112 0.000 0.798 446 P CB 0.790 32.607 31.700 0.194 0.000 0.979 447 T N -1.521 113.027 114.554 -0.011 0.000 2.754 447 T HA 0.054 4.639 4.350 0.392 0.000 0.286 447 T C 1.238 175.927 174.700 -0.018 0.000 0.997 447 T CA -0.184 61.899 62.100 -0.029 0.000 0.982 447 T CB 0.661 69.488 68.868 -0.069 0.000 1.027 447 T HN 0.384 nan 8.240 nan 0.000 0.529 448 E N 0.616 120.806 120.200 -0.017 0.000 2.110 448 E HA -0.047 4.538 4.350 0.392 0.000 0.193 448 E C 2.229 178.821 176.600 -0.012 0.000 0.988 448 E CA 1.730 58.126 56.400 -0.007 0.000 0.804 448 E CB -0.991 28.704 29.700 -0.008 0.000 0.745 448 E HN 0.764 nan 8.360 nan 0.000 0.458 449 A N 0.303 123.098 122.820 -0.041 0.000 1.930 449 A HA -0.194 4.361 4.320 0.392 0.000 0.217 449 A C 2.163 179.710 177.584 -0.061 0.000 1.175 449 A CA 1.595 53.601 52.037 -0.051 0.000 0.627 449 A CB -0.520 18.435 19.000 -0.076 0.000 0.815 449 A HN 0.355 nan 8.150 nan 0.000 0.443 450 Q N -0.481 119.242 119.800 -0.128 0.000 2.079 450 Q HA -0.067 4.508 4.340 0.392 0.000 0.200 450 Q C 2.069 178.180 176.000 0.185 0.000 0.974 450 Q CA 1.319 57.025 55.803 -0.162 0.000 0.840 450 Q CB -0.298 28.156 28.738 -0.473 0.000 0.898 450 Q HN 0.663 nan 8.270 nan 0.000 0.430 451 L N 0.850 122.145 121.223 0.120 0.000 2.046 451 L HA -0.207 4.368 4.340 0.392 0.000 0.208 451 L C 1.919 178.843 176.870 0.091 0.000 1.077 451 L CA 0.766 55.679 54.840 0.121 0.000 0.747 451 L CB -0.393 41.710 42.059 0.073 0.000 0.896 451 L HN 0.285 nan 8.230 nan 0.000 0.432 452 N N 0.066 118.803 118.700 0.061 0.000 2.244 452 N HA -0.108 4.867 4.740 0.392 0.000 0.183 452 N C 1.830 177.376 175.510 0.061 0.000 1.016 452 N CA 1.358 54.436 53.050 0.046 0.000 0.866 452 N CB -0.151 38.350 38.487 0.025 0.000 0.980 452 N HN 0.302 nan 8.380 nan 0.000 0.430 453 A N 0.584 123.459 122.820 0.092 0.000 1.930 453 A HA -0.023 4.533 4.320 0.392 0.000 0.217 453 A C 2.446 180.103 177.584 0.123 0.000 1.175 453 A CA 0.965 53.071 52.037 0.115 0.000 0.627 453 A CB -0.523 18.578 19.000 0.167 0.000 0.815 453 A HN 0.093 nan 8.150 nan 0.000 0.443 454 V N 0.461 120.464 119.914 0.149 0.000 2.453 454 V HA -0.188 4.167 4.120 0.392 0.000 0.247 454 V C 2.358 178.477 176.094 0.041 0.000 1.048 454 V CA 2.066 64.411 62.300 0.075 0.000 1.049 454 V CB -0.568 31.292 31.823 0.061 0.000 0.672 454 V HN 0.643 nan 8.190 nan 0.000 0.457 455 D N 0.560 120.989 120.400 0.049 0.000 2.117 455 D HA -0.154 4.721 4.640 0.392 0.000 0.197 455 D C 2.125 178.439 176.300 0.023 0.000 0.987 455 D CA 1.645 55.663 54.000 0.030 0.000 0.829 455 D CB 0.243 41.061 40.800 0.030 0.000 0.961 455 D HN 0.407 nan 8.370 nan 0.000 0.460 456 A N 0.567 123.405 122.820 0.030 0.000 1.929 456 A HA -0.078 4.477 4.320 0.392 0.000 0.216 456 A C 2.226 179.820 177.584 0.017 0.000 1.176 456 A CA 0.802 52.853 52.037 0.022 0.000 0.628 456 A CB -0.610 18.405 19.000 0.026 0.000 0.816 456 A HN 0.340 nan 8.150 nan 0.000 0.444 457 L N 0.063 121.298 121.223 0.020 0.000 2.017 457 L HA -0.093 4.482 4.340 0.392 0.000 0.208 457 L C 2.177 179.046 176.870 -0.001 0.000 1.073 457 L CA 1.769 56.613 54.840 0.007 0.000 0.745 457 L CB -0.355 41.706 42.059 0.002 0.000 0.894 457 L HN 0.419 nan 8.230 nan 0.000 0.432 458 I N -0.427 120.143 120.570 -0.001 0.000 2.286 458 I HA -0.256 4.149 4.170 0.392 0.000 0.248 458 I C 1.889 178.006 176.117 -0.000 0.000 1.115 458 I CA 1.182 62.480 61.300 -0.004 0.000 1.392 458 I CB -0.508 37.490 38.000 -0.004 0.000 1.065 458 I HN 0.308 nan 8.210 nan 0.000 0.418 459 D N 0.319 120.721 120.400 0.003 0.000 2.123 459 D HA -0.125 4.750 4.640 0.392 0.000 0.200 459 D C 2.418 178.719 176.300 0.002 0.000 0.976 459 D CA 1.723 55.725 54.000 0.004 0.000 0.831 459 D CB -0.127 40.677 40.800 0.007 0.000 0.974 459 D HN 0.328 nan 8.370 nan 0.000 0.469 460 S N 0.101 115.802 115.700 0.001 0.000 2.383 460 S HA -0.100 4.605 4.470 0.392 0.000 0.227 460 S C 1.746 176.342 174.600 -0.008 0.000 1.026 460 S CA 0.678 58.877 58.200 -0.002 0.000 0.981 460 S CB -0.339 62.859 63.200 -0.002 0.000 0.818 460 S HN 0.161 nan 8.310 nan 0.000 0.472 461 M N 2.442 122.036 119.600 -0.010 0.000 2.652 461 M HA 0.256 4.971 4.480 0.392 0.000 0.226 461 M C 0.559 176.854 176.300 -0.009 0.000 1.244 461 M CA -0.188 55.102 55.300 -0.016 0.000 0.986 461 M CB -0.164 32.424 32.600 -0.020 0.000 1.666 461 M HN 0.270 nan 8.290 nan 0.000 0.460 462 S N 0.970 116.669 115.700 -0.002 0.000 2.537 462 S HA 0.179 4.884 4.470 0.392 0.000 0.286 462 S C 0.693 175.301 174.600 0.013 0.000 1.299 462 S CA -0.188 58.016 58.200 0.008 0.000 1.067 462 S CB 0.484 63.690 63.200 0.010 0.000 0.864 462 S HN 0.525 nan 8.310 nan 0.000 0.494 463 L N 3.774 125.015 121.223 0.029 0.000 2.741 463 L HA 0.420 4.995 4.340 0.392 0.000 0.237 463 L C 0.611 177.518 176.870 0.062 0.000 1.178 463 L CA -0.221 54.651 54.840 0.053 0.000 0.973 463 L CB -0.301 41.818 42.059 0.100 0.000 1.255 463 L HN 0.677 nan 8.230 nan 0.000 0.498 464 A N 0.541 123.387 122.820 0.044 0.000 2.532 464 A HA 0.810 5.365 4.320 0.392 0.000 0.290 464 A C -1.008 176.597 177.584 0.035 0.000 1.143 464 A CA -0.554 51.509 52.037 0.043 0.000 0.728 464 A CB 2.230 21.251 19.000 0.036 0.000 1.317 464 A HN 0.036 nan 8.150 nan 0.000 0.414 465 K N 0.609 121.030 120.400 0.035 0.000 2.570 465 K HA 0.277 4.832 4.320 0.392 0.000 0.256 465 K C -1.526 175.091 176.600 0.028 0.000 0.939 465 K CA -0.464 55.841 56.287 0.029 0.000 0.833 465 K CB 1.327 33.846 32.500 0.033 0.000 1.318 465 K HN 0.585 nan 8.250 nan 0.000 0.433 466 K N 3.152 123.565 120.400 0.022 0.000 2.155 466 K HA 0.055 4.610 4.320 0.392 0.000 0.240 466 K C -0.548 176.063 176.600 0.019 0.000 1.193 466 K CA -0.164 56.134 56.287 0.019 0.000 1.104 466 K CB 0.205 32.714 32.500 0.015 0.000 1.558 466 K HN 0.442 nan 8.250 nan 0.000 0.313 467 D N 0.720 121.134 120.400 0.023 0.000 2.466 467 D HA 0.043 4.918 4.640 0.392 0.000 0.262 467 D C -0.047 176.265 176.300 0.020 0.000 1.177 467 D CA -0.242 53.772 54.000 0.023 0.000 1.035 467 D CB 0.691 41.509 40.800 0.030 0.000 1.105 467 D HN 0.333 nan 8.370 nan 0.000 0.551 468 E N -0.578 119.633 120.200 0.019 0.000 2.604 468 E HA -0.254 4.331 4.350 0.392 0.000 0.255 468 E C -0.641 175.965 176.600 0.011 0.000 1.164 468 E CA 0.355 56.764 56.400 0.015 0.000 0.737 468 E CB -0.581 29.128 29.700 0.016 0.000 1.317 468 E HN 0.316 nan 8.360 nan 0.000 0.417 469 K N -0.122 120.285 120.400 0.011 0.000 4.923 469 K HA -0.222 4.333 4.320 0.392 0.000 0.290 469 K C 0.528 177.132 176.600 0.006 0.000 0.699 469 K CA 1.928 58.220 56.287 0.008 0.000 0.799 469 K CB -1.624 30.880 32.500 0.007 0.000 2.041 469 K HN 0.600 nan 8.250 nan 0.000 0.378 470 T N -2.568 111.990 114.554 0.006 0.000 3.567 470 T HA 0.123 4.708 4.350 0.392 0.000 0.314 470 T C 0.089 174.791 174.700 0.004 0.000 0.942 470 T CA -0.056 62.046 62.100 0.003 0.000 0.997 470 T CB 0.300 69.169 68.868 0.002 0.000 1.205 470 T HN 0.329 nan 8.240 nan 0.000 0.518 471 D N 0.672 121.076 120.400 0.006 0.000 3.077 471 D HA -0.132 4.743 4.640 0.392 0.000 0.217 471 D C -0.144 176.161 176.300 0.008 0.000 1.162 471 D CA 1.527 55.531 54.000 0.006 0.000 0.943 471 D CB -1.761 39.041 40.800 0.004 0.000 1.122 471 D HN 0.544 nan 8.370 nan 0.000 0.413 472 T N 0.847 115.407 114.554 0.009 0.000 2.889 472 T HA 0.505 5.090 4.350 0.392 0.000 0.291 472 T C 0.857 175.568 174.700 0.018 0.000 0.995 472 T CA -0.497 61.610 62.100 0.013 0.000 1.092 472 T CB 1.632 70.507 68.868 0.013 0.000 0.954 472 T HN 0.030 nan 8.240 nan 0.000 0.506 473 L N 3.445 124.680 121.223 0.020 0.000 2.265 473 L HA 0.304 4.879 4.340 0.392 0.000 0.288 473 L C 0.419 177.309 176.870 0.033 0.000 1.058 473 L CA -0.585 54.270 54.840 0.025 0.000 0.809 473 L CB 0.680 42.753 42.059 0.023 0.000 1.179 473 L HN 0.510 nan 8.230 nan 0.000 0.429 474 E N 2.899 123.122 120.200 0.038 0.000 2.146 474 E HA 0.114 4.699 4.350 0.392 0.000 0.282 474 E C -0.834 175.801 176.600 0.058 0.000 0.989 474 E CA -0.504 55.926 56.400 0.049 0.000 0.799 474 E CB 1.764 31.494 29.700 0.051 0.000 1.088 474 E HN 0.359 nan 8.360 nan 0.000 0.397 475 D N 3.600 124.040 120.400 0.066 0.000 2.339 475 D HA 0.046 4.921 4.640 0.392 0.000 0.256 475 D C 0.807 177.170 176.300 0.106 0.000 1.214 475 D CA -0.127 53.918 54.000 0.076 0.000 0.877 475 D CB 0.786 41.626 40.800 0.065 0.000 1.111 475 D HN 0.402 nan 8.370 nan 0.000 0.478 476 L N 3.283 124.575 121.223 0.116 0.000 2.554 476 L HA 0.076 4.651 4.340 0.392 0.000 0.226 476 L C 0.646 177.646 176.870 0.215 0.000 1.137 476 L CA 0.208 55.134 54.840 0.143 0.000 0.863 476 L CB 0.005 42.122 42.059 0.096 0.000 0.985 476 L HN 0.319 nan 8.230 nan 0.000 0.451 477 F N 1.588 121.508 119.950 -0.050 0.000 2.766 477 F HA 0.394 5.156 4.527 0.391 0.000 0.355 477 F C -2.631 173.104 175.800 -0.107 0.000 1.434 477 F CA -3.075 54.811 58.000 -0.190 0.000 1.139 477 F CB 0.610 39.492 39.000 -0.197 0.000 1.816 477 F HN -0.183 nan 8.300 nan 0.000 0.600 478 P HA 0.165 nan 4.420 nan 0.000 0.260 478 P C 1.114 178.304 177.300 -0.183 0.000 1.651 478 P CA 0.175 63.228 63.100 -0.078 0.000 1.139 478 P CB 0.183 31.909 31.700 0.043 0.000 1.756 479 T N -0.963 113.374 114.554 -0.362 0.000 2.881 479 T HA -0.181 4.405 4.350 0.392 0.000 0.270 479 T C 1.503 176.119 174.700 -0.140 0.000 1.068 479 T CA 1.847 63.730 62.100 -0.363 0.000 1.131 479 T CB -1.292 67.311 68.868 -0.442 0.000 0.871 479 T HN 0.357 nan 8.240 nan 0.000 0.479 480 T N -0.841 113.668 114.554 -0.076 0.000 3.163 480 T HA 0.150 4.735 4.350 0.392 0.000 0.260 480 T C 1.607 176.321 174.700 0.024 0.000 1.156 480 T CA 0.419 62.510 62.100 -0.015 0.000 1.072 480 T CB -0.365 68.507 68.868 0.007 0.000 0.937 480 T HN 0.509 nan 8.240 nan 0.000 0.528 481 K N 0.202 120.623 120.400 0.035 0.000 2.352 481 K HA 0.336 4.891 4.320 0.392 0.000 0.194 481 K C 0.375 177.030 176.600 0.092 0.000 1.038 481 K CA 0.020 56.355 56.287 0.080 0.000 1.023 481 K CB 0.267 32.831 32.500 0.107 0.000 0.840 481 K HN 0.426 nan 8.250 nan 0.000 0.519 482 I N 4.271 124.884 120.570 0.072 0.000 2.496 482 I HA 0.071 4.476 4.170 0.392 0.000 0.285 482 I C -2.009 174.155 176.117 0.079 0.000 1.080 482 I CA -2.158 59.196 61.300 0.089 0.000 1.404 482 I CB 0.511 38.557 38.000 0.075 0.000 1.403 482 I HN -0.087 nan 8.210 nan 0.000 0.539 483 P HA 0.023 nan 4.420 nan 0.000 0.275 483 P C -0.696 176.652 177.300 0.080 0.000 1.228 483 P CA -0.478 62.696 63.100 0.123 0.000 0.786 483 P CB 0.527 32.331 31.700 0.173 0.000 0.927 484 N N 4.067 122.826 118.700 0.098 0.000 2.417 484 N HA -0.034 4.941 4.740 0.392 0.000 0.272 484 N C -1.004 174.427 175.510 -0.132 0.000 1.304 484 N CA -1.360 51.667 53.050 -0.038 0.000 0.906 484 N CB 0.114 38.557 38.487 -0.073 0.000 1.135 484 N HN 0.268 nan 8.380 nan 0.000 0.483 485 P HA -0.222 nan 4.420 nan 0.000 0.218 485 P C 1.015 178.125 177.300 -0.317 0.000 1.146 485 P CA 1.217 64.182 63.100 -0.224 0.000 0.813 485 P CB 0.143 31.688 31.700 -0.259 0.000 0.778 486 R N -0.700 119.533 120.500 -0.445 0.000 2.120 486 R HA -0.109 4.466 4.340 0.392 0.000 0.234 486 R C 2.124 178.088 176.300 -0.560 0.000 1.123 486 R CA 1.220 57.013 56.100 -0.511 0.000 0.975 486 R CB -1.452 28.488 30.300 -0.601 0.000 0.866 486 R HN 0.159 nan 8.270 nan 0.000 0.446 487 F N 1.448 121.174 119.950 -0.373 0.000 2.060 487 F HA -0.079 4.685 4.527 0.394 0.000 0.295 487 F C 2.830 178.019 175.800 -1.019 0.000 1.120 487 F CA 0.721 58.289 58.000 -0.719 0.000 1.205 487 F CB -0.276 38.404 39.000 -0.532 0.000 0.986 487 F HN -0.045 nan 8.300 nan 0.000 0.470 488 Q N 0.310 119.928 119.800 -0.303 0.000 2.291 488 Q HA -0.157 4.418 4.340 0.392 0.000 0.205 488 Q C 2.092 178.029 176.000 -0.105 0.000 0.970 488 Q CA 0.898 56.639 55.803 -0.103 0.000 0.876 488 Q CB -0.356 28.444 28.738 0.104 0.000 0.935 488 Q HN 0.255 nan 8.270 nan 0.000 0.455 489 R N 0.958 121.336 120.500 -0.203 0.000 2.062 489 R HA -0.098 4.477 4.340 0.392 0.000 0.229 489 R C 2.052 178.273 176.300 -0.132 0.000 1.128 489 R CA 0.935 56.933 56.100 -0.169 0.000 0.960 489 R CB -0.902 29.265 30.300 -0.223 0.000 0.855 489 R HN 0.230 nan 8.270 nan 0.000 0.432 490 L N 0.109 121.203 121.223 -0.215 0.000 2.042 490 L HA -0.031 4.544 4.340 0.392 0.000 0.210 490 L C 2.015 178.857 176.870 -0.047 0.000 1.076 490 L CA 1.821 56.578 54.840 -0.138 0.000 0.749 490 L CB -0.717 41.226 42.059 -0.194 0.000 0.893 490 L HN 0.306 nan 8.230 nan 0.000 0.432 491 F N -0.429 119.462 119.950 -0.099 0.000 2.134 491 F HA -0.273 4.488 4.527 0.389 0.000 0.299 491 F C 2.730 178.516 175.800 -0.024 0.000 1.097 491 F CA 1.129 59.026 58.000 -0.171 0.000 1.264 491 F CB -0.483 38.600 39.000 0.139 0.000 1.001 491 F HN 0.306 nan 8.300 nan 0.000 0.479 492 Q N 0.405 120.342 119.800 0.228 0.000 2.096 492 Q HA -0.230 4.345 4.340 0.392 0.000 0.204 492 Q C 2.293 178.395 176.000 0.170 0.000 0.982 492 Q CA 2.215 58.134 55.803 0.194 0.000 0.850 492 Q CB -0.405 28.397 28.738 0.107 0.000 0.901 492 Q HN 0.478 nan 8.270 nan 0.000 0.422 493 C N 0.402 119.759 119.300 0.094 0.000 2.462 493 C HA -0.077 4.618 4.460 0.392 0.000 0.278 493 C C 2.723 177.794 174.990 0.136 0.000 1.253 493 C CA 0.500 59.577 59.018 0.098 0.000 1.713 493 C CB -1.145 26.626 27.740 0.051 0.000 2.049 493 C HN 0.568 nan 8.230 nan 0.000 0.477 494 L N 0.389 121.628 121.223 0.028 0.000 2.051 494 L HA -0.214 4.361 4.340 0.392 0.000 0.214 494 L C 2.551 179.525 176.870 0.173 0.000 1.076 494 L CA 1.320 56.139 54.840 -0.036 0.000 0.758 494 L CB -0.735 40.957 42.059 -0.610 0.000 0.890 494 L HN 0.367 nan 8.230 nan 0.000 0.433 495 L N -1.076 120.330 121.223 0.305 0.000 2.027 495 L HA -0.231 4.344 4.340 0.392 0.000 0.206 495 L C 2.651 179.722 176.870 0.335 0.000 1.074 495 L CA 1.772 56.907 54.840 0.491 0.000 0.745 495 L CB -0.897 41.477 42.059 0.524 0.000 0.898 495 L HN 0.243 nan 8.230 nan 0.000 0.433 496 H N -0.432 118.766 119.070 0.214 0.000 2.352 496 H HA -0.213 4.577 4.556 0.390 0.000 0.299 496 H C 2.266 177.714 175.328 0.201 0.000 1.097 496 H CA 1.975 58.140 56.048 0.195 0.000 1.311 496 H CB 0.297 30.114 29.762 0.091 0.000 1.377 496 H HN 0.181 nan 8.280 nan 0.000 0.504 497 R N 0.883 121.535 120.500 0.254 0.000 2.115 497 R HA -0.021 4.554 4.340 0.392 0.000 0.230 497 R C 2.343 178.689 176.300 0.077 0.000 1.111 497 R CA 1.388 57.587 56.100 0.164 0.000 0.976 497 R CB -0.656 29.732 30.300 0.146 0.000 0.870 497 R HN 0.337 nan 8.270 nan 0.000 0.445 498 A N 0.194 123.049 122.820 0.057 0.000 1.854 498 A HA -0.015 4.540 4.320 0.392 0.000 0.214 498 A C 2.032 179.567 177.584 -0.083 0.000 1.192 498 A CA 1.291 53.284 52.037 -0.073 0.000 0.611 498 A CB -0.446 18.434 19.000 -0.201 0.000 0.832 498 A HN 0.324 nan 8.150 nan 0.000 0.442 499 L N -1.296 119.905 121.223 -0.037 0.000 2.492 499 L HA 0.054 4.629 4.340 0.392 0.000 0.223 499 L C -0.038 176.473 176.870 -0.598 0.000 1.132 499 L CA 0.392 55.092 54.840 -0.234 0.000 0.850 499 L CB -0.322 41.642 42.059 -0.158 0.000 0.966 499 L HN 0.486 nan 8.230 nan 0.000 0.454 500 H N -1.530 117.451 119.070 -0.149 0.000 2.596 500 H HA 0.157 4.947 4.556 0.390 0.000 0.240 500 H C -1.867 173.422 175.328 -0.065 0.000 1.406 500 H CA -1.375 54.587 56.048 -0.143 0.000 1.504 500 H CB 0.366 29.956 29.762 -0.288 0.000 1.688 500 H HN -0.162 nan 8.280 nan 0.000 0.546 501 P HA -0.170 nan 4.420 nan 0.000 0.218 501 P C 1.072 178.404 177.300 0.054 0.000 1.148 501 P CA 1.098 64.221 63.100 0.038 0.000 0.822 501 P CB 0.620 32.323 31.700 0.004 0.000 0.784 502 R N -0.806 119.728 120.500 0.057 0.000 2.200 502 R HA 0.088 4.663 4.340 0.392 0.000 0.208 502 R C 0.888 177.233 176.300 0.074 0.000 1.033 502 R CA 0.238 56.370 56.100 0.054 0.000 1.000 502 R CB -0.007 30.319 30.300 0.043 0.000 0.906 502 R HN 0.260 nan 8.270 nan 0.000 0.462 503 E N 2.073 122.341 120.200 0.114 0.000 2.354 503 E HA 0.138 4.723 4.350 0.392 0.000 0.269 503 E C -1.988 174.699 176.600 0.145 0.000 1.036 503 E CA -1.810 54.675 56.400 0.143 0.000 0.876 503 E CB 0.695 30.524 29.700 0.215 0.000 1.009 503 E HN 0.072 nan 8.360 nan 0.000 0.416 504 P HA 0.135 nan 4.420 nan 0.000 0.275 504 P C 0.088 177.401 177.300 0.021 0.000 1.266 504 P CA -0.386 62.741 63.100 0.045 0.000 0.793 504 P CB 0.742 32.450 31.700 0.013 0.000 1.074 505 L N 1.241 122.446 121.223 -0.029 0.000 2.456 505 L HA 0.199 4.774 4.340 0.392 0.000 0.272 505 L C -1.359 175.375 176.870 -0.227 0.000 1.189 505 L CA -1.570 53.202 54.840 -0.113 0.000 0.846 505 L CB -0.339 41.680 42.059 -0.067 0.000 1.111 505 L HN 0.344 nan 8.230 nan 0.000 0.475 506 P HA 0.279 nan 4.420 nan 0.000 0.276 506 P C -2.612 174.590 177.300 -0.164 0.000 1.244 506 P CA -1.282 61.602 63.100 -0.360 0.000 0.801 506 P CB 0.280 31.652 31.700 -0.546 0.000 1.006 507 P HA 0.288 nan 4.420 nan 0.000 0.276 507 P C 0.257 177.553 177.300 -0.007 0.000 1.252 507 P CA -0.455 62.633 63.100 -0.020 0.000 0.802 507 P CB 0.747 32.455 31.700 0.013 0.000 1.035 508 I N 0.808 121.400 120.570 0.037 0.000 2.775 508 I HA -0.091 4.314 4.170 0.392 0.000 0.290 508 I C 1.296 177.419 176.117 0.011 0.000 1.203 508 I CA 0.476 61.762 61.300 -0.023 0.000 1.433 508 I CB -0.210 37.751 38.000 -0.065 0.000 1.354 508 I HN 0.282 nan 8.210 nan 0.000 0.579 509 Q N 5.470 125.214 119.800 -0.094 0.000 2.337 509 Q HA 0.002 4.577 4.340 0.392 0.000 0.270 509 Q C 0.806 176.781 176.000 -0.042 0.000 1.002 509 Q CA -0.439 55.325 55.803 -0.065 0.000 0.888 509 Q CB 0.879 29.524 28.738 -0.156 0.000 1.222 509 Q HN 0.504 nan 8.270 nan 0.000 0.400 510 Q N 1.675 121.539 119.800 0.106 0.000 2.135 510 Q HA -0.214 4.361 4.340 0.392 0.000 0.204 510 Q C 1.982 178.069 176.000 0.145 0.000 0.981 510 Q CA 1.696 57.608 55.803 0.181 0.000 0.856 510 Q CB -0.244 28.588 28.738 0.156 0.000 0.902 510 Q HN 0.814 nan 8.270 nan 0.000 0.425 511 H N -0.396 118.720 119.070 0.078 0.000 2.422 511 H HA -0.086 4.706 4.556 0.393 0.000 0.298 511 H C 1.861 177.218 175.328 0.048 0.000 1.098 511 H CA 0.951 57.030 56.048 0.051 0.000 1.315 511 H CB -0.234 29.551 29.762 0.038 0.000 1.382 511 H HN 0.111 nan 8.280 nan 0.000 0.523 512 I N 0.710 121.040 120.570 -0.401 0.000 2.142 512 I HA -0.268 4.137 4.170 0.392 0.000 0.240 512 I C 2.424 178.449 176.117 -0.154 0.000 1.078 512 I CA 0.991 62.093 61.300 -0.330 0.000 1.343 512 I CB -1.499 36.190 38.000 -0.517 0.000 1.046 512 I HN 0.289 nan 8.210 nan 0.000 0.405 513 W N 1.379 122.646 121.300 -0.055 0.000 2.342 513 W HA -0.213 4.683 4.660 0.395 0.000 0.297 513 W C 2.455 178.992 176.519 0.031 0.000 1.213 513 W CA 0.685 58.024 57.345 -0.009 0.000 1.251 513 W CB -0.547 28.900 29.460 -0.020 0.000 1.136 513 W HN 0.196 nan 8.180 nan 0.000 0.526 514 N N 0.338 119.192 118.700 0.257 0.000 2.289 514 N HA -0.160 4.815 4.740 0.392 0.000 0.184 514 N C 1.630 177.271 175.510 0.218 0.000 1.016 514 N CA 1.965 55.125 53.050 0.183 0.000 0.872 514 N CB -0.769 37.782 38.487 0.108 0.000 0.973 514 N HN 0.382 nan 8.380 nan 0.000 0.433 515 M N -1.615 118.116 119.600 0.218 0.000 2.514 515 M HA 0.169 4.884 4.480 0.392 0.000 0.258 515 M C 1.084 177.646 176.300 0.437 0.000 1.119 515 M CA 1.038 56.526 55.300 0.315 0.000 1.111 515 M CB -0.069 32.655 32.600 0.206 0.000 1.390 515 M HN -0.104 nan 8.290 nan 0.000 0.475 516 L N 0.819 122.228 121.223 0.310 0.000 2.591 516 L HA 0.226 4.801 4.340 0.392 0.000 0.228 516 L C 0.137 177.247 176.870 0.401 0.000 1.133 516 L CA -0.235 54.795 54.840 0.317 0.000 0.880 516 L CB -0.598 41.568 42.059 0.179 0.000 1.033 516 L HN 0.333 nan 8.230 nan 0.000 0.450 517 N N 0.426 119.311 118.700 0.310 0.000 2.443 517 N HA 0.398 5.374 4.740 0.392 0.000 0.293 517 N C -2.448 172.860 175.510 -0.337 0.000 1.159 517 N CA -1.401 51.693 53.050 0.074 0.000 0.904 517 N CB 1.476 40.005 38.487 0.070 0.000 1.214 517 N HN -0.185 nan 8.380 nan 0.000 0.513 518 P HA 0.288 nan 4.420 nan 0.000 0.274 518 P C -2.654 174.359 177.300 -0.477 0.000 1.256 518 P CA -1.113 61.296 63.100 -1.152 0.000 0.795 518 P CB -0.533 30.696 31.700 -0.785 0.000 1.038 519 P HA -0.041 nan 4.420 nan 0.000 0.264 519 P C 0.838 178.088 177.300 -0.083 0.000 1.183 519 P CA 0.526 63.572 63.100 -0.089 0.000 0.763 519 P CB -0.041 31.640 31.700 -0.033 0.000 0.807 520 A N 4.307 127.106 122.820 -0.036 0.000 2.032 520 A HA -0.241 4.314 4.320 0.392 0.000 0.221 520 A C 1.864 179.430 177.584 -0.031 0.000 1.165 520 A CA 1.481 53.498 52.037 -0.033 0.000 0.645 520 A CB -0.750 18.242 19.000 -0.013 0.000 0.807 520 A HN 0.539 nan 8.150 nan 0.000 0.453 521 E N 0.042 120.229 120.200 -0.021 0.000 2.038 521 E HA -0.152 4.433 4.350 0.392 0.000 0.195 521 E C 2.206 178.789 176.600 -0.028 0.000 1.000 521 E CA 1.466 57.857 56.400 -0.015 0.000 0.803 521 E CB -0.977 28.722 29.700 -0.002 0.000 0.750 521 E HN 0.434 nan 8.360 nan 0.000 0.448 522 V N 1.811 121.697 119.914 -0.047 0.000 2.287 522 V HA -0.264 4.091 4.120 0.392 0.000 0.248 522 V C 2.481 178.542 176.094 -0.055 0.000 1.053 522 V CA 2.362 64.628 62.300 -0.057 0.000 1.027 522 V CB -1.171 30.594 31.823 -0.096 0.000 0.646 522 V HN 0.291 nan 8.190 nan 0.000 0.447 523 T N -0.396 114.118 114.554 -0.067 0.000 2.720 523 T HA -0.205 4.380 4.350 0.392 0.000 0.268 523 T C 1.935 176.612 174.700 -0.038 0.000 1.037 523 T CA 2.101 64.167 62.100 -0.057 0.000 1.144 523 T CB -0.471 68.359 68.868 -0.063 0.000 0.864 523 T HN 0.579 nan 8.240 nan 0.000 0.444 524 T N 1.882 116.417 114.554 -0.031 0.000 2.777 524 T HA -0.037 4.548 4.350 0.392 0.000 0.266 524 T C 2.011 176.701 174.700 -0.017 0.000 1.040 524 T CA 0.974 63.061 62.100 -0.021 0.000 1.141 524 T CB -0.164 68.695 68.868 -0.016 0.000 0.868 524 T HN 0.399 nan 8.240 nan 0.000 0.444 525 K N 1.388 121.778 120.400 -0.017 0.000 2.097 525 K HA -0.085 4.470 4.320 0.392 0.000 0.206 525 K C 2.720 179.313 176.600 -0.011 0.000 1.049 525 K CA 1.572 57.852 56.287 -0.012 0.000 0.933 525 K CB -0.178 32.316 32.500 -0.010 0.000 0.717 525 K HN 0.436 nan 8.250 nan 0.000 0.442 526 S N 0.683 116.374 115.700 -0.016 0.000 2.453 526 S HA -0.117 4.588 4.470 0.392 0.000 0.231 526 S C 1.764 176.358 174.600 -0.010 0.000 1.005 526 S CA 0.417 58.608 58.200 -0.014 0.000 0.949 526 S CB -0.078 63.109 63.200 -0.022 0.000 0.774 526 S HN 0.145 nan 8.310 nan 0.000 0.510 527 Q N 1.850 121.643 119.800 -0.012 0.000 2.012 527 Q HA -0.142 4.433 4.340 0.392 0.000 0.211 527 Q C 2.248 178.247 176.000 -0.002 0.000 1.009 527 Q CA 2.086 57.884 55.803 -0.009 0.000 0.866 527 Q CB -0.959 27.773 28.738 -0.011 0.000 0.945 527 Q HN 0.641 nan 8.270 nan 0.000 0.414 528 I N 0.702 121.271 120.570 -0.000 0.000 2.127 528 I HA -0.253 4.152 4.170 0.392 0.000 0.241 528 I C -0.633 175.490 176.117 0.010 0.000 1.075 528 I CA 1.314 62.617 61.300 0.004 0.000 1.334 528 I CB -1.518 36.484 38.000 0.003 0.000 1.040 528 I HN 0.175 nan 8.210 nan 0.000 0.405 529 P HA -0.178 nan 4.420 nan 0.000 0.216 529 P C 1.957 179.273 177.300 0.026 0.000 1.153 529 P CA 1.477 64.589 63.100 0.020 0.000 0.858 529 P CB 0.023 31.732 31.700 0.014 0.000 0.789 530 L N -0.652 120.580 121.223 0.014 0.000 2.083 530 L HA -0.186 4.389 4.340 0.392 0.000 0.209 530 L C 2.614 179.500 176.870 0.026 0.000 1.083 530 L CA 1.997 56.846 54.840 0.014 0.000 0.752 530 L CB -1.040 41.018 42.059 -0.002 0.000 0.899 530 L HN 0.132 nan 8.230 nan 0.000 0.433 531 S N -0.238 115.474 115.700 0.020 0.000 2.368 531 S HA -0.230 4.475 4.470 0.392 0.000 0.225 531 S C 1.979 176.599 174.600 0.034 0.000 1.030 531 S CA 1.103 59.316 58.200 0.022 0.000 0.999 531 S CB -0.244 62.963 63.200 0.012 0.000 0.844 531 S HN 0.354 nan 8.310 nan 0.000 0.459 532 K N 0.476 120.900 120.400 0.039 0.000 2.148 532 K HA 0.160 4.715 4.320 0.392 0.000 0.204 532 K C 2.036 178.688 176.600 0.086 0.000 1.050 532 K CA 1.318 57.632 56.287 0.046 0.000 0.942 532 K CB -0.318 32.205 32.500 0.039 0.000 0.724 532 K HN 0.457 nan 8.250 nan 0.000 0.446 533 I N 1.087 121.733 120.570 0.126 0.000 2.353 533 I HA -0.254 4.151 4.170 0.392 0.000 0.248 533 I C 2.446 178.709 176.117 0.243 0.000 1.119 533 I CA 1.026 62.478 61.300 0.253 0.000 1.417 533 I CB -0.072 38.029 38.000 0.167 0.000 1.078 533 I HN 0.122 nan 8.210 nan 0.000 0.421 534 K N 0.498 120.971 120.400 0.122 0.000 2.147 534 K HA -0.211 4.344 4.320 0.392 0.000 0.205 534 K C 2.094 178.744 176.600 0.083 0.000 1.049 534 K CA 1.935 58.278 56.287 0.093 0.000 0.936 534 K CB -0.046 32.482 32.500 0.048 0.000 0.722 534 K HN 0.384 nan 8.250 nan 0.000 0.446 535 T N -1.458 113.132 114.554 0.060 0.000 3.035 535 T HA 0.049 4.634 4.350 0.392 0.000 0.259 535 T C 1.835 176.532 174.700 -0.005 0.000 1.078 535 T CA 0.272 62.387 62.100 0.025 0.000 1.132 535 T CB -0.030 68.843 68.868 0.008 0.000 0.900 535 T HN 0.168 nan 8.240 nan 0.000 0.480 536 L N -0.875 120.336 121.223 -0.020 0.000 2.179 536 L HA 0.344 4.919 4.340 0.392 0.000 0.208 536 L C 0.161 176.826 176.870 -0.341 0.000 1.096 536 L CA 0.518 55.239 54.840 -0.199 0.000 0.779 536 L CB -0.050 41.835 42.059 -0.291 0.000 0.922 536 L HN 0.225 nan 8.230 nan 0.000 0.443 537 F N 1.517 121.469 119.950 0.003 0.000 2.307 537 F HA 0.310 5.072 4.527 0.392 0.000 0.369 537 F C -1.817 173.986 175.800 0.004 0.000 1.076 537 F CA -2.644 55.359 58.000 0.005 0.000 1.149 537 F CB 0.224 39.225 39.000 0.002 0.000 1.410 537 F HN -0.146 nan 8.300 nan 0.000 0.481 538 P HA 0.139 nan 4.420 nan 0.000 0.265 538 P C -0.867 176.490 177.300 0.095 0.000 1.193 538 P CA 0.169 63.320 63.100 0.084 0.000 0.765 538 P CB 1.455 33.185 31.700 0.049 0.000 0.823 539 L N 4.425 125.687 121.223 0.065 0.000 2.439 539 L HA 0.601 5.176 4.340 0.392 0.000 0.270 539 L C -0.079 176.808 176.870 0.027 0.000 0.972 539 L CA -0.613 54.255 54.840 0.045 0.000 0.836 539 L CB 2.135 44.216 42.059 0.036 0.000 1.255 539 L HN 0.389 nan 8.230 nan 0.000 0.404 540 I N 1.811 122.394 120.570 0.022 0.000 2.692 540 I HA 0.284 4.689 4.170 0.392 0.000 0.293 540 I C -0.636 175.486 176.117 0.009 0.000 1.200 540 I CA -0.299 61.010 61.300 0.014 0.000 1.036 540 I CB 2.763 40.773 38.000 0.016 0.000 1.258 540 I HN 0.624 nan 8.210 nan 0.000 0.421 541 E N 5.483 125.685 120.200 0.004 0.000 2.344 541 E HA 0.373 4.958 4.350 0.392 0.000 0.270 541 E C -0.022 176.580 176.600 0.003 0.000 1.021 541 E CA -0.378 56.022 56.400 0.001 0.000 0.887 541 E CB 1.003 30.701 29.700 -0.003 0.000 0.997 541 E HN 0.608 nan 8.360 nan 0.000 0.429 542 A N 3.416 126.237 122.820 0.002 0.000 2.498 542 A HA -0.005 4.551 4.320 0.392 0.000 0.239 542 A C 0.704 178.289 177.584 0.002 0.000 1.068 542 A CA -0.038 52.001 52.037 0.004 0.000 0.766 542 A CB 0.371 19.374 19.000 0.004 0.000 1.003 542 A HN 0.537 nan 8.150 nan 0.000 0.497 543 K N 1.237 121.639 120.400 0.003 0.000 2.365 543 K HA 0.145 4.700 4.320 0.392 0.000 0.195 543 K C 0.414 177.015 176.600 0.001 0.000 1.079 543 K CA 0.869 57.157 56.287 0.001 0.000 0.979 543 K CB 0.173 32.675 32.500 0.002 0.000 0.929 543 K HN 0.705 nan 8.250 nan 0.000 0.523 544 K N 1.017 121.418 120.400 0.002 0.000 2.393 544 K HA 0.270 4.825 4.320 0.392 0.000 0.241 544 K C -0.183 176.417 176.600 0.001 0.000 1.055 544 K CA -0.845 55.443 56.287 0.002 0.000 0.951 544 K CB 1.260 33.762 32.500 0.003 0.000 1.285 544 K HN -0.116 nan 8.250 nan 0.000 0.500 545 K N 0.000 120.400 120.400 -0.000 0.000 2.780 545 K HA 0.000 4.555 4.320 0.392 0.000 0.191 545 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 545 K CB 0.000 32.500 32.500 0.001 0.000 1.064 545 K HN 0.000 nan 8.250 nan 0.000 0.543