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 1uxu_1_A DATA FIRST_RESID 3 DATA SEQUENCE AGLLEGVIKE KGGVPVYPSY LAGEWGGSGQ EIEVKSPIDL ATIAKVISPS DATA SEQUENCE REEVERTLDV LFKRGRWSAR DMPGTERLAV LRKAADIIER NLDVFAEVLV DATA SEQUENCE MNAGKPKSAA VGEVKAAVDR LRLAELDLKK IGGDYIPGDW TYDTLETEGL DATA SEQUENCE VRREPLGVVA AITPFNYPLF DAVNKITYSF IYGNAVVVKP SISDPLPAAM DATA SEQUENCE AVKALLDAGF PPDAIALLNL PGKEAEKIVA DDRVAAVSFT GSTEVGERVV DATA SEQUENCE KVGGVKQYVM ELGGGDPAIV LEDADLDLAA DKIARGIYSY AGQRCDAIKL DATA SEQUENCE VLAERPVYGK LVEEVAKRLS SLRVGDPRDP TVDVGPLISP SAVDEMMAAI DATA SEQUENCE EDAVEKGGRV LAGGRRLGPT YVQPTFVEAP ADRVKDMVLY KREVFAPVAL DATA SEQUENCE AVEVKDLDQA IELANGRPYG LDAAVFGRDV VKIRRAVRLL EVGAIYINDM DATA SEQUENCE PRHGIGYYPF GGRKKSGVFR EGIGYAVEAV TAYKTIVFNY KGKGVWKYE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.503 177.584 -0.135 0.000 1.274 3 A CA 0.000 51.959 52.037 -0.130 0.000 0.836 3 A CB 0.000 18.948 19.000 -0.086 0.000 0.831 4 G N -1.431 107.307 108.800 -0.103 0.000 2.527 4 G HA2 0.014 3.974 3.960 0.001 0.000 0.262 4 G HA3 0.014 3.974 3.960 0.001 0.000 0.262 4 G C 0.684 175.527 174.900 -0.095 0.000 1.153 4 G CA 1.085 46.131 45.100 -0.090 0.000 0.954 4 G HN 2.216 nan 8.290 nan 0.000 0.552 5 L N -0.466 120.698 121.223 -0.097 0.000 2.552 5 L HA 0.533 4.874 4.340 0.001 0.000 0.227 5 L C 2.165 178.941 176.870 -0.156 0.000 1.146 5 L CA 1.228 56.017 54.840 -0.084 0.000 0.858 5 L CB -0.426 41.619 42.059 -0.024 0.000 0.969 5 L HN 0.376 nan 8.230 nan 0.000 0.451 6 L N -0.426 120.664 121.223 -0.221 0.000 2.685 6 L HA 0.162 4.503 4.340 0.001 0.000 0.233 6 L C 1.938 178.619 176.870 -0.316 0.000 1.173 6 L CA -0.131 54.503 54.840 -0.343 0.000 0.961 6 L CB -0.022 41.777 42.059 -0.433 0.000 1.217 6 L HN 0.227 nan 8.230 nan 0.000 0.478 7 E N 1.707 121.779 120.200 -0.214 0.000 2.054 7 E HA -0.261 4.089 4.350 0.001 0.000 0.225 7 E C 1.918 178.409 176.600 -0.181 0.000 1.048 7 E CA 2.191 58.490 56.400 -0.167 0.000 0.899 7 E CB -0.412 29.220 29.700 -0.114 0.000 0.801 7 E HN 0.332 nan 8.360 nan 0.000 0.495 8 G N -1.240 107.460 108.800 -0.168 0.000 3.026 8 G HA2 0.074 4.035 3.960 0.001 0.000 0.208 8 G HA3 0.074 4.035 3.960 0.001 0.000 0.208 8 G C 1.123 175.896 174.900 -0.212 0.000 1.169 8 G CA 0.614 45.625 45.100 -0.148 0.000 0.788 8 G HN 0.199 nan 8.290 nan 0.000 0.533 9 V N 0.631 120.335 119.914 -0.350 0.000 2.484 9 V HA 0.224 4.345 4.120 0.001 0.000 0.236 9 V C 1.473 177.317 176.094 -0.416 0.000 1.062 9 V CA 0.121 62.111 62.300 -0.517 0.000 1.081 9 V CB -0.342 30.900 31.823 -0.968 0.000 0.751 9 V HN 0.197 nan 8.190 nan 0.000 0.484 10 I N 1.659 121.947 120.570 -0.471 0.000 2.710 10 I HA 0.028 4.199 4.170 0.001 0.000 0.286 10 I C 0.158 176.130 176.117 -0.240 0.000 1.181 10 I CA 0.636 61.674 61.300 -0.438 0.000 1.430 10 I CB 0.192 37.866 38.000 -0.543 0.000 1.367 10 I HN 0.238 nan 8.210 nan 0.000 0.577 11 K N 5.841 126.146 120.400 -0.159 0.000 2.293 11 K HA 0.293 4.613 4.320 0.001 0.000 0.267 11 K C -0.580 175.984 176.600 -0.060 0.000 1.010 11 K CA -0.558 55.677 56.287 -0.086 0.000 0.875 11 K CB 1.131 33.604 32.500 -0.044 0.000 1.106 11 K HN 0.368 nan 8.250 nan 0.000 0.450 12 E N 2.436 122.602 120.200 -0.056 0.000 2.515 12 E HA -0.012 4.338 4.350 0.001 0.000 0.315 12 E C -0.553 176.036 176.600 -0.019 0.000 1.523 12 E CA -0.021 56.359 56.400 -0.034 0.000 1.704 12 E CB -0.025 29.652 29.700 -0.038 0.000 1.395 12 E HN 0.225 nan 8.360 nan 0.000 0.490 13 K N 0.682 121.076 120.400 -0.011 0.000 2.383 13 K HA 0.242 4.563 4.320 0.001 0.000 0.286 13 K C 1.066 177.668 176.600 0.003 0.000 1.051 13 K CA 0.617 56.903 56.287 -0.003 0.000 0.974 13 K CB 0.276 32.779 32.500 0.004 0.000 0.968 13 K HN 0.378 nan 8.250 nan 0.000 0.475 14 G N 3.661 112.462 108.800 0.001 0.000 2.846 14 G HA2 -0.381 3.579 3.960 0.001 0.000 0.317 14 G HA3 -0.381 3.579 3.960 0.001 0.000 0.317 14 G C 0.691 175.592 174.900 0.002 0.000 1.210 14 G CA 0.269 45.371 45.100 0.003 0.000 0.972 14 G HN 0.818 nan 8.290 nan 0.000 0.567 15 G N -0.638 108.165 108.800 0.006 0.000 2.707 15 G HA2 0.581 4.541 3.960 0.001 0.000 0.198 15 G HA3 0.581 4.541 3.960 0.001 0.000 0.198 15 G C 0.602 175.508 174.900 0.009 0.000 1.065 15 G CA 1.526 46.629 45.100 0.005 0.000 0.763 15 G HN 1.974 nan 8.290 nan 0.000 0.625 16 V N -0.940 118.984 119.914 0.016 0.000 2.769 16 V HA 0.749 4.870 4.120 0.001 0.000 0.312 16 V C -2.670 173.448 176.094 0.039 0.000 1.058 16 V CA -2.922 59.394 62.300 0.027 0.000 0.952 16 V CB 2.155 33.995 31.823 0.029 0.000 1.019 16 V HN 0.013 nan 8.190 nan 0.000 0.445 17 P HA 0.158 nan 4.420 nan 0.000 0.267 17 P C -0.581 176.807 177.300 0.146 0.000 1.205 17 P CA 0.174 63.319 63.100 0.075 0.000 0.765 17 P CB 1.144 32.912 31.700 0.114 0.000 0.828 18 V N 5.621 125.585 119.914 0.083 0.000 2.313 18 V HA 0.155 4.275 4.120 0.001 0.000 0.278 18 V C -0.271 175.894 176.094 0.117 0.000 1.017 18 V CA -0.546 61.827 62.300 0.123 0.000 0.823 18 V CB -0.085 31.774 31.823 0.060 0.000 1.010 18 V HN 0.362 nan 8.190 nan 0.000 0.443 19 Y N 7.781 128.077 120.300 -0.007 0.000 2.404 19 Y HA 0.372 4.923 4.550 0.001 0.000 0.344 19 Y C -1.706 174.237 175.900 0.070 0.000 0.995 19 Y CA -2.514 55.588 58.100 0.002 0.000 1.201 19 Y CB 0.846 39.312 38.460 0.011 0.000 1.151 19 Y HN 0.437 nan 8.280 nan 0.000 0.517 20 P HA 0.221 nan 4.420 nan 0.000 0.280 20 P C -0.515 177.033 177.300 0.414 0.000 1.272 20 P CA -0.521 62.738 63.100 0.265 0.000 0.819 20 P CB 1.503 33.347 31.700 0.240 0.000 1.122 21 S N -0.181 115.697 115.700 0.297 0.000 2.617 21 S HA 0.233 4.704 4.470 0.001 0.000 0.269 21 S C -0.568 174.141 174.600 0.181 0.000 1.292 21 S CA -0.071 58.269 58.200 0.234 0.000 1.010 21 S CB -0.135 63.124 63.200 0.099 0.000 0.944 21 S HN 0.408 nan 8.310 nan 0.000 0.536 22 Y N 2.342 122.501 120.300 -0.234 0.000 2.385 22 Y HA 0.392 4.943 4.550 0.001 0.000 0.341 22 Y C -0.131 175.560 175.900 -0.348 0.000 0.965 22 Y CA -0.734 56.974 58.100 -0.653 0.000 1.180 22 Y CB 0.151 37.838 38.460 -1.288 0.000 1.139 22 Y HN 0.510 nan 8.280 nan 0.000 0.502 23 L N 6.900 127.651 121.223 -0.787 0.000 2.968 23 L HA 0.353 4.694 4.340 0.001 0.000 0.235 23 L C 0.882 177.381 176.870 -0.617 0.000 1.323 23 L CA -0.069 54.453 54.840 -0.530 0.000 1.159 23 L CB -0.796 41.086 42.059 -0.295 0.000 1.523 23 L HN 0.978 nan 8.230 nan 0.000 0.468 24 A N 0.398 122.698 122.820 -0.867 0.000 2.578 24 A HA -0.035 4.285 4.320 0.001 0.000 0.298 24 A C 1.171 178.519 177.584 -0.394 0.000 1.472 24 A CA 0.837 52.594 52.037 -0.466 0.000 0.734 24 A CB -1.674 17.223 19.000 -0.171 0.000 1.091 24 A HN 0.931 nan 8.150 nan 0.000 0.426 25 G N -1.878 106.559 108.800 -0.605 0.000 3.675 25 G HA2 0.273 4.233 3.960 0.001 0.000 0.206 25 G HA3 0.273 4.233 3.960 0.001 0.000 0.206 25 G C -0.212 174.616 174.900 -0.120 0.000 1.086 25 G CA 0.634 45.631 45.100 -0.173 0.000 0.894 25 G HN 1.144 nan 8.290 nan 0.000 0.412 26 E N -0.506 119.487 120.200 -0.345 0.000 2.308 26 E HA 0.585 4.936 4.350 0.001 0.000 0.275 26 E C -1.374 175.146 176.600 -0.133 0.000 0.890 26 E CA -0.710 55.644 56.400 -0.075 0.000 0.754 26 E CB 1.284 30.973 29.700 -0.018 0.000 1.207 26 E HN 0.279 nan 8.360 nan 0.000 0.426 27 W N 2.091 123.470 121.300 0.130 0.000 2.202 27 W HA 0.570 5.231 4.660 0.001 0.000 0.332 27 W C 1.091 177.634 176.519 0.040 0.000 1.263 27 W CA 0.991 58.426 57.345 0.151 0.000 1.223 27 W CB 1.125 30.686 29.460 0.167 0.000 1.128 27 W HN 0.664 nan 8.180 nan 0.000 0.573 28 G N -0.077 108.881 108.800 0.265 0.000 2.452 28 G HA2 0.514 4.474 3.960 0.001 0.000 0.224 28 G HA3 0.514 4.474 3.960 0.001 0.000 0.224 28 G C -0.521 174.442 174.900 0.104 0.000 1.208 28 G CA 0.170 45.358 45.100 0.146 0.000 0.946 28 G HN 1.338 nan 8.290 nan 0.000 0.481 29 G N -1.967 106.868 108.800 0.058 0.000 2.453 29 G HA2 0.518 4.478 3.960 0.001 0.000 0.665 29 G HA3 0.518 4.478 3.960 0.001 0.000 0.665 29 G C -0.023 174.901 174.900 0.040 0.000 1.411 29 G CA 0.676 45.803 45.100 0.045 0.000 0.889 29 G HN 2.183 nan 8.290 nan 0.000 0.651 30 S N 0.189 115.906 115.700 0.028 0.000 2.835 30 S HA 0.673 5.144 4.470 0.001 0.000 0.248 30 S C 0.832 175.446 174.600 0.023 0.000 1.070 30 S CA 0.675 58.890 58.200 0.025 0.000 1.090 30 S CB 0.555 63.767 63.200 0.019 0.000 0.978 30 S HN 1.968 nan 8.310 nan 0.000 0.510 31 G N 1.226 110.043 108.800 0.027 0.000 2.753 31 G HA2 0.558 4.518 3.960 0.001 0.000 0.285 31 G HA3 0.558 4.518 3.960 0.001 0.000 0.285 31 G C -0.391 174.526 174.900 0.028 0.000 1.344 31 G CA -1.014 44.101 45.100 0.025 0.000 1.050 31 G HN 0.633 nan 8.290 nan 0.000 0.532 32 Q N -0.197 119.619 119.800 0.025 0.000 2.333 32 Q HA 0.102 4.442 4.340 0.001 0.000 0.299 32 Q C -0.622 175.397 176.000 0.032 0.000 1.067 32 Q CA 0.599 56.417 55.803 0.026 0.000 0.943 32 Q CB 0.769 29.521 28.738 0.022 0.000 1.233 32 Q HN 0.463 nan 8.270 nan 0.000 0.401 33 E N 2.361 122.579 120.200 0.031 0.000 2.283 33 E HA 0.511 4.862 4.350 0.001 0.000 0.271 33 E C -0.522 176.097 176.600 0.031 0.000 1.031 33 E CA -0.606 55.816 56.400 0.037 0.000 0.868 33 E CB 1.201 30.923 29.700 0.037 0.000 1.094 33 E HN 0.510 nan 8.360 nan 0.000 0.401 34 I N 1.393 121.982 120.570 0.032 0.000 2.619 34 I HA 0.175 4.346 4.170 0.001 0.000 0.292 34 I C -0.187 175.939 176.117 0.015 0.000 1.100 34 I CA -0.680 60.633 61.300 0.022 0.000 1.043 34 I CB 2.152 40.165 38.000 0.022 0.000 1.239 34 I HN 0.350 nan 8.210 nan 0.000 0.420 35 E N 3.800 124.005 120.200 0.008 0.000 2.354 35 E HA 0.327 4.678 4.350 0.001 0.000 0.269 35 E C -1.092 175.500 176.600 -0.013 0.000 1.036 35 E CA -0.338 56.063 56.400 0.000 0.000 0.876 35 E CB 1.842 31.542 29.700 0.001 0.000 1.009 35 E HN 0.215 nan 8.360 nan 0.000 0.416 36 V N 4.594 124.493 119.914 -0.026 0.000 2.350 36 V HA 0.193 4.314 4.120 0.001 0.000 0.285 36 V C -0.149 175.922 176.094 -0.039 0.000 1.014 36 V CA -0.615 61.658 62.300 -0.045 0.000 0.831 36 V CB 1.045 32.815 31.823 -0.089 0.000 1.000 36 V HN 0.557 nan 8.190 nan 0.000 0.433 37 K N 2.180 122.560 120.400 -0.033 0.000 2.139 37 K HA 0.671 4.992 4.320 0.001 0.000 0.243 37 K C -0.036 176.547 176.600 -0.029 0.000 0.983 37 K CA -0.493 55.779 56.287 -0.026 0.000 0.890 37 K CB 1.829 34.316 32.500 -0.022 0.000 1.090 37 K HN 0.587 nan 8.250 nan 0.000 0.445 38 S N 1.326 117.015 115.700 -0.018 0.000 2.475 38 S HA 0.287 4.758 4.470 0.001 0.000 0.298 38 S C -1.786 172.808 174.600 -0.010 0.000 1.119 38 S CA -1.831 56.361 58.200 -0.012 0.000 1.085 38 S CB 0.987 64.187 63.200 0.000 0.000 1.028 38 S HN 0.418 nan 8.310 nan 0.000 0.489 39 P HA 0.014 nan 4.420 nan 0.000 0.230 39 P C 1.395 178.698 177.300 0.005 0.000 1.158 39 P CA 0.668 63.746 63.100 -0.035 0.000 0.769 39 P CB 0.005 31.660 31.700 -0.075 0.000 0.807 40 I N 1.278 121.868 120.570 0.033 0.000 2.315 40 I HA -0.173 3.998 4.170 0.001 0.000 0.248 40 I C 0.952 177.144 176.117 0.125 0.000 1.117 40 I CA 1.886 63.246 61.300 0.100 0.000 1.404 40 I CB -0.434 37.614 38.000 0.081 0.000 1.071 40 I HN 0.090 nan 8.210 nan 0.000 0.419 41 D N -0.834 119.607 120.400 0.068 0.000 2.672 41 D HA 0.049 4.690 4.640 0.001 0.000 0.287 41 D C 0.886 177.204 176.300 0.030 0.000 1.559 41 D CA -0.475 53.556 54.000 0.052 0.000 0.796 41 D CB -0.804 40.016 40.800 0.035 0.000 1.181 41 D HN 0.071 nan 8.370 nan 0.000 0.458 42 L N -0.437 120.801 121.223 0.024 0.000 4.269 42 L HA -0.278 4.062 4.340 0.001 0.000 0.431 42 L C 0.030 176.902 176.870 0.003 0.000 1.139 42 L CA 0.839 55.684 54.840 0.008 0.000 0.982 42 L CB -0.878 41.187 42.059 0.010 0.000 1.915 42 L HN 0.438 nan 8.230 nan 0.000 1.015 43 A N -0.771 122.052 122.820 0.005 0.000 2.304 43 A HA 0.620 4.941 4.320 0.001 0.000 0.301 43 A C 0.502 178.085 177.584 -0.002 0.000 1.132 43 A CA 0.174 52.213 52.037 0.002 0.000 0.819 43 A CB 0.500 19.503 19.000 0.005 0.000 1.094 43 A HN 0.217 nan 8.150 nan 0.000 0.492 44 T N 2.425 116.977 114.554 -0.002 0.000 2.769 44 T HA 0.275 4.625 4.350 0.001 0.000 0.293 44 T C 1.288 175.986 174.700 -0.003 0.000 0.931 44 T CA 0.515 62.612 62.100 -0.005 0.000 1.139 44 T CB -0.346 68.522 68.868 -0.000 0.000 0.881 44 T HN 0.568 nan 8.240 nan 0.000 0.532 45 I N 0.440 121.003 120.570 -0.011 0.000 3.968 45 I HA 0.679 4.850 4.170 0.001 0.000 0.328 45 I C 0.631 176.747 176.117 -0.002 0.000 1.290 45 I CA -0.445 60.850 61.300 -0.008 0.000 1.163 45 I CB 0.108 38.097 38.000 -0.018 0.000 1.024 45 I HN 0.573 nan 8.210 nan 0.000 0.413 46 A N 0.733 123.547 122.820 -0.009 0.000 2.415 46 A HA 0.666 4.986 4.320 0.001 0.000 0.294 46 A C -1.593 175.996 177.584 0.009 0.000 1.019 46 A CA -0.855 51.192 52.037 0.016 0.000 0.603 46 A CB 0.934 19.914 19.000 -0.034 0.000 1.382 46 A HN 0.145 nan 8.150 nan 0.000 0.483 47 K N -0.427 120.006 120.400 0.053 0.000 2.482 47 K HA 0.708 5.028 4.320 0.001 0.000 0.257 47 K C -1.258 175.395 176.600 0.087 0.000 0.969 47 K CA -0.731 55.585 56.287 0.049 0.000 0.842 47 K CB 2.663 35.196 32.500 0.055 0.000 1.359 47 K HN 1.209 nan 8.250 nan 0.000 0.441 48 V N -0.993 118.961 119.914 0.068 0.000 2.735 48 V HA 0.597 4.718 4.120 0.001 0.000 0.310 48 V C -0.415 175.735 176.094 0.094 0.000 1.061 48 V CA -1.033 61.330 62.300 0.105 0.000 0.913 48 V CB 1.509 33.376 31.823 0.073 0.000 1.005 48 V HN 0.641 nan 8.190 nan 0.000 0.428 49 I N 4.091 124.730 120.570 0.115 0.000 2.304 49 I HA 0.406 4.576 4.170 0.001 0.000 0.291 49 I C 0.853 177.020 176.117 0.084 0.000 1.018 49 I CA -0.039 61.315 61.300 0.090 0.000 1.260 49 I CB 1.564 39.620 38.000 0.094 0.000 1.390 49 I HN 0.930 nan 8.210 nan 0.000 0.475 50 S N 8.277 124.013 115.700 0.061 0.000 2.601 50 S HA 0.513 4.984 4.470 0.001 0.000 0.271 50 S C -2.376 172.249 174.600 0.042 0.000 1.305 50 S CA -1.247 56.984 58.200 0.051 0.000 1.022 50 S CB 1.139 64.363 63.200 0.040 0.000 0.940 50 S HN 0.381 nan 8.310 nan 0.000 0.525 51 P HA 0.226 nan 4.420 nan 0.000 0.277 51 P C -0.139 177.170 177.300 0.015 0.000 1.240 51 P CA -0.469 62.643 63.100 0.019 0.000 0.798 51 P CB 1.025 32.729 31.700 0.006 0.000 0.979 52 S N 2.085 117.792 115.700 0.010 0.000 2.624 52 S HA 0.254 4.724 4.470 0.001 0.000 0.263 52 S C 1.439 176.042 174.600 0.004 0.000 1.287 52 S CA -0.553 57.652 58.200 0.009 0.000 0.990 52 S CB 0.734 63.939 63.200 0.008 0.000 0.950 52 S HN 0.343 nan 8.310 nan 0.000 0.561 53 R N 0.714 121.216 120.500 0.004 0.000 2.091 53 R HA -0.119 4.221 4.340 0.001 0.000 0.238 53 R C 2.325 178.624 176.300 -0.003 0.000 1.136 53 R CA 2.022 58.122 56.100 0.001 0.000 0.959 53 R CB -0.452 29.849 30.300 0.002 0.000 0.856 53 R HN 0.786 nan 8.270 nan 0.000 0.437 54 E N 0.238 120.436 120.200 -0.002 0.000 2.153 54 E HA -0.202 4.149 4.350 0.001 0.000 0.194 54 E C 1.746 178.341 176.600 -0.009 0.000 0.988 54 E CA 1.159 57.556 56.400 -0.004 0.000 0.811 54 E CB 0.087 29.785 29.700 -0.002 0.000 0.746 54 E HN 0.450 nan 8.360 nan 0.000 0.466 55 E N 0.009 120.203 120.200 -0.010 0.000 2.158 55 E HA -0.097 4.254 4.350 0.001 0.000 0.191 55 E C 2.134 178.719 176.600 -0.025 0.000 0.982 55 E CA 0.569 56.958 56.400 -0.020 0.000 0.823 55 E CB 0.230 29.919 29.700 -0.018 0.000 0.766 55 E HN 0.064 nan 8.360 nan 0.000 0.468 56 V N 1.587 121.491 119.914 -0.016 0.000 2.307 56 V HA -0.248 3.872 4.120 0.001 0.000 0.245 56 V C 2.417 178.501 176.094 -0.017 0.000 1.045 56 V CA 2.062 64.353 62.300 -0.016 0.000 1.024 56 V CB -0.376 31.443 31.823 -0.007 0.000 0.651 56 V HN 0.215 nan 8.190 nan 0.000 0.449 57 E N 0.993 121.184 120.200 -0.014 0.000 2.058 57 E HA -0.271 4.079 4.350 0.001 0.000 0.194 57 E C 2.326 178.920 176.600 -0.010 0.000 0.997 57 E CA 1.933 58.325 56.400 -0.013 0.000 0.801 57 E CB -0.411 29.282 29.700 -0.011 0.000 0.746 57 E HN 0.463 nan 8.360 nan 0.000 0.450 58 R N -0.731 119.762 120.500 -0.013 0.000 2.092 58 R HA -0.080 4.261 4.340 0.001 0.000 0.231 58 R C 2.069 178.360 176.300 -0.016 0.000 1.119 58 R CA 1.821 57.914 56.100 -0.011 0.000 0.970 58 R CB -0.386 29.903 30.300 -0.018 0.000 0.864 58 R HN 0.236 nan 8.270 nan 0.000 0.440 59 T N 1.460 115.994 114.554 -0.033 0.000 2.708 59 T HA -0.098 4.252 4.350 0.001 0.000 0.266 59 T C 1.793 176.488 174.700 -0.009 0.000 1.037 59 T CA 1.290 63.362 62.100 -0.047 0.000 1.146 59 T CB -0.129 68.696 68.868 -0.071 0.000 0.865 59 T HN 0.166 nan 8.240 nan 0.000 0.435 60 L N 0.874 122.097 121.223 0.000 0.000 2.046 60 L HA -0.142 4.198 4.340 0.001 0.000 0.208 60 L C 2.568 179.477 176.870 0.066 0.000 1.077 60 L CA 1.550 56.403 54.840 0.021 0.000 0.747 60 L CB -0.563 41.491 42.059 -0.009 0.000 0.896 60 L HN 0.275 nan 8.230 nan 0.000 0.432 61 D N -0.336 120.096 120.400 0.052 0.000 2.117 61 D HA -0.160 4.480 4.640 0.001 0.000 0.197 61 D C 2.076 178.452 176.300 0.127 0.000 0.987 61 D CA 1.083 55.141 54.000 0.097 0.000 0.829 61 D CB 0.179 41.014 40.800 0.058 0.000 0.961 61 D HN 0.025 nan 8.370 nan 0.000 0.460 62 V N 0.405 120.363 119.914 0.073 0.000 2.307 62 V HA -0.192 3.928 4.120 0.001 0.000 0.245 62 V C 2.665 178.814 176.094 0.090 0.000 1.045 62 V CA 1.227 63.566 62.300 0.066 0.000 1.024 62 V CB -0.553 31.279 31.823 0.015 0.000 0.651 62 V HN 0.316 nan 8.190 nan 0.000 0.449 63 L N -1.246 120.030 121.223 0.088 0.000 2.043 63 L HA -0.232 4.109 4.340 0.001 0.000 0.212 63 L C 2.378 179.326 176.870 0.130 0.000 1.075 63 L CA 1.964 56.863 54.840 0.098 0.000 0.752 63 L CB -0.579 41.533 42.059 0.088 0.000 0.891 63 L HN 0.351 nan 8.230 nan 0.000 0.432 64 F N 0.689 120.649 119.950 0.016 0.000 2.098 64 F HA -0.141 4.387 4.527 0.001 0.000 0.294 64 F C 2.446 178.286 175.800 0.067 0.000 1.107 64 F CA 1.521 59.530 58.000 0.016 0.000 1.234 64 F CB -0.059 38.951 39.000 0.016 0.000 1.002 64 F HN -0.168 nan 8.300 nan 0.000 0.472 65 K N -0.658 119.825 120.400 0.138 0.000 2.228 65 K HA 0.005 4.325 4.320 0.001 0.000 0.202 65 K C 1.885 178.582 176.600 0.161 0.000 1.051 65 K CA 0.826 57.173 56.287 0.099 0.000 0.960 65 K CB 0.190 32.781 32.500 0.151 0.000 0.743 65 K HN 0.194 nan 8.250 nan 0.000 0.458 66 R N -1.213 119.368 120.500 0.136 0.000 2.302 66 R HA 0.117 4.458 4.340 0.001 0.000 0.187 66 R C 2.334 178.715 176.300 0.135 0.000 0.904 66 R CA 0.762 56.960 56.100 0.162 0.000 1.105 66 R CB -0.648 29.716 30.300 0.107 0.000 1.239 66 R HN 0.184 nan 8.270 nan 0.000 0.620 67 G N 2.309 111.159 108.800 0.084 0.000 2.491 67 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 67 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 67 G C 1.518 176.420 174.900 0.004 0.000 1.180 67 G CA 0.784 45.927 45.100 0.072 0.000 0.774 67 G HN 0.211 nan 8.290 nan 0.000 0.562 68 R N -0.657 119.767 120.500 -0.127 0.000 2.103 68 R HA -0.156 4.185 4.340 0.001 0.000 0.242 68 R C 2.444 178.492 176.300 -0.420 0.000 1.142 68 R CA 1.812 57.707 56.100 -0.342 0.000 0.960 68 R CB -0.431 29.492 30.300 -0.628 0.000 0.858 68 R HN 0.599 nan 8.270 nan 0.000 0.439 69 W N 0.235 121.499 121.300 -0.060 0.000 2.418 69 W HA -0.034 4.626 4.660 0.001 0.000 0.292 69 W C 2.560 179.064 176.519 -0.025 0.000 1.213 69 W CA 0.633 57.948 57.345 -0.050 0.000 1.283 69 W CB -0.206 29.217 29.460 -0.060 0.000 1.119 69 W HN 0.009 nan 8.180 nan 0.000 0.542 70 S N 0.444 116.243 115.700 0.164 0.000 2.368 70 S HA -0.146 4.324 4.470 0.001 0.000 0.224 70 S C 2.021 176.663 174.600 0.069 0.000 1.029 70 S CA 1.359 59.627 58.200 0.113 0.000 0.988 70 S CB -0.858 62.404 63.200 0.104 0.000 0.838 70 S HN 0.266 nan 8.310 nan 0.000 0.462 71 A N 1.979 124.831 122.820 0.053 0.000 1.855 71 A HA -0.070 4.250 4.320 0.001 0.000 0.215 71 A C 2.111 179.647 177.584 -0.078 0.000 1.191 71 A CA 1.532 53.595 52.037 0.044 0.000 0.613 71 A CB -0.578 18.473 19.000 0.085 0.000 0.829 71 A HN 0.411 nan 8.150 nan 0.000 0.442 72 R N -0.477 119.969 120.500 -0.091 0.000 2.081 72 R HA -0.134 4.206 4.340 0.001 0.000 0.235 72 R C 0.762 177.046 176.300 -0.027 0.000 1.131 72 R CA 1.689 57.725 56.100 -0.106 0.000 0.960 72 R CB -0.243 29.944 30.300 -0.187 0.000 0.856 72 R HN 0.386 nan 8.270 nan 0.000 0.436 73 D N 0.226 120.660 120.400 0.057 0.000 2.363 73 D HA -0.071 4.569 4.640 0.001 0.000 0.226 73 D C 0.297 176.611 176.300 0.024 0.000 1.020 73 D CA 0.475 54.521 54.000 0.077 0.000 0.892 73 D CB 0.110 40.995 40.800 0.142 0.000 0.900 73 D HN 0.302 nan 8.370 nan 0.000 0.531 74 M N 2.499 122.090 119.600 -0.015 0.000 2.084 74 M HA 0.244 4.724 4.480 0.001 0.000 0.351 74 M C -2.516 173.735 176.300 -0.082 0.000 1.240 74 M CA -1.688 53.592 55.300 -0.034 0.000 1.083 74 M CB 1.529 34.113 32.600 -0.027 0.000 1.593 74 M HN -0.316 nan 8.290 nan 0.000 0.463 75 P HA 0.030 nan 4.420 nan 0.000 0.267 75 P C 0.498 177.731 177.300 -0.111 0.000 1.200 75 P CA 0.353 63.411 63.100 -0.070 0.000 0.772 75 P CB 0.476 32.152 31.700 -0.039 0.000 0.855 76 G N 1.497 110.223 108.800 -0.124 0.000 2.469 76 G HA2 -0.310 3.650 3.960 0.001 0.000 0.220 76 G HA3 -0.310 3.650 3.960 0.001 0.000 0.220 76 G C 1.613 176.444 174.900 -0.115 0.000 1.136 76 G CA 1.406 46.412 45.100 -0.158 0.000 0.759 76 G HN 0.583 nan 8.290 nan 0.000 0.562 77 T N -0.303 114.209 114.554 -0.071 0.000 2.803 77 T HA -0.123 4.227 4.350 0.001 0.000 0.269 77 T C 2.151 176.829 174.700 -0.037 0.000 1.052 77 T CA 2.014 64.087 62.100 -0.046 0.000 1.136 77 T CB -0.180 68.671 68.868 -0.029 0.000 0.864 77 T HN 0.556 nan 8.240 nan 0.000 0.467 78 E N -0.360 119.816 120.200 -0.041 0.000 2.112 78 E HA -0.023 4.328 4.350 0.001 0.000 0.190 78 E C 2.535 179.134 176.600 -0.002 0.000 0.979 78 E CA 0.369 56.760 56.400 -0.016 0.000 0.814 78 E CB 0.085 29.779 29.700 -0.011 0.000 0.762 78 E HN 0.445 nan 8.360 nan 0.000 0.460 79 R N 0.106 120.567 120.500 -0.066 0.000 2.091 79 R HA -0.162 4.179 4.340 0.001 0.000 0.238 79 R C 2.325 178.658 176.300 0.054 0.000 1.136 79 R CA 0.907 56.976 56.100 -0.051 0.000 0.959 79 R CB -0.283 29.699 30.300 -0.531 0.000 0.856 79 R HN 0.165 nan 8.270 nan 0.000 0.437 80 L N 0.603 121.811 121.223 -0.025 0.000 2.046 80 L HA -0.116 4.224 4.340 0.001 0.000 0.208 80 L C 2.408 179.297 176.870 0.033 0.000 1.077 80 L CA 1.836 56.676 54.840 -0.000 0.000 0.747 80 L CB -0.893 41.149 42.059 -0.028 0.000 0.896 80 L HN 0.159 nan 8.230 nan 0.000 0.432 81 A N -1.327 121.510 122.820 0.028 0.000 1.902 81 A HA -0.169 4.151 4.320 0.001 0.000 0.217 81 A C 2.358 179.974 177.584 0.052 0.000 1.181 81 A CA 1.943 53.999 52.037 0.032 0.000 0.623 81 A CB -0.985 18.030 19.000 0.024 0.000 0.818 81 A HN 0.227 nan 8.150 nan 0.000 0.443 82 V N 0.244 120.206 119.914 0.079 0.000 2.287 82 V HA -0.294 3.826 4.120 0.001 0.000 0.248 82 V C 2.593 178.745 176.094 0.096 0.000 1.053 82 V CA 2.139 64.494 62.300 0.093 0.000 1.027 82 V CB -0.795 31.100 31.823 0.120 0.000 0.646 82 V HN 0.584 nan 8.190 nan 0.000 0.447 83 L N -0.783 120.515 121.223 0.125 0.000 2.046 83 L HA -0.164 4.177 4.340 0.001 0.000 0.208 83 L C 2.778 179.681 176.870 0.055 0.000 1.077 83 L CA 1.596 56.497 54.840 0.102 0.000 0.747 83 L CB -0.641 41.488 42.059 0.116 0.000 0.896 83 L HN 0.236 nan 8.230 nan 0.000 0.432 84 R N 0.122 120.650 120.500 0.046 0.000 2.096 84 R HA -0.183 4.157 4.340 0.001 0.000 0.235 84 R C 2.318 178.633 176.300 0.025 0.000 1.127 84 R CA 1.195 57.313 56.100 0.030 0.000 0.968 84 R CB -0.208 30.108 30.300 0.025 0.000 0.861 84 R HN 0.109 nan 8.270 nan 0.000 0.440 85 K N 1.185 121.603 120.400 0.031 0.000 2.057 85 K HA -0.035 4.286 4.320 0.001 0.000 0.206 85 K C 1.853 178.466 176.600 0.022 0.000 1.050 85 K CA 1.666 57.969 56.287 0.027 0.000 0.935 85 K CB -0.372 32.147 32.500 0.033 0.000 0.715 85 K HN 0.103 nan 8.250 nan 0.000 0.439 86 A N 0.661 123.496 122.820 0.025 0.000 1.940 86 A HA -0.062 4.258 4.320 0.001 0.000 0.219 86 A C 2.380 179.952 177.584 -0.020 0.000 1.176 86 A CA 2.097 54.140 52.037 0.009 0.000 0.631 86 A CB -1.087 17.919 19.000 0.011 0.000 0.814 86 A HN 0.443 nan 8.150 nan 0.000 0.446 87 A N 0.179 122.991 122.820 -0.014 0.000 1.883 87 A HA -0.216 4.105 4.320 0.001 0.000 0.217 87 A C 1.802 179.367 177.584 -0.032 0.000 1.186 87 A CA 1.933 53.952 52.037 -0.032 0.000 0.624 87 A CB -0.685 18.310 19.000 -0.007 0.000 0.822 87 A HN 0.462 nan 8.150 nan 0.000 0.444 88 D N 0.053 120.449 120.400 -0.007 0.000 2.116 88 D HA -0.159 4.482 4.640 0.001 0.000 0.193 88 D C 1.858 178.161 176.300 0.004 0.000 0.998 88 D CA 1.387 55.388 54.000 0.001 0.000 0.836 88 D CB -0.392 40.415 40.800 0.011 0.000 0.951 88 D HN 0.542 nan 8.370 nan 0.000 0.449 89 I N 0.583 121.159 120.570 0.010 0.000 2.179 89 I HA -0.240 3.930 4.170 0.001 0.000 0.242 89 I C 2.426 178.567 176.117 0.041 0.000 1.088 89 I CA 0.786 62.108 61.300 0.036 0.000 1.357 89 I CB -0.161 37.870 38.000 0.051 0.000 1.051 89 I HN -0.041 nan 8.210 nan 0.000 0.409 90 I N 0.466 120.999 120.570 -0.062 0.000 2.226 90 I HA -0.303 3.867 4.170 0.001 0.000 0.245 90 I C 2.609 178.643 176.117 -0.139 0.000 1.100 90 I CA 1.456 62.594 61.300 -0.270 0.000 1.374 90 I CB -0.393 37.253 38.000 -0.591 0.000 1.057 90 I HN 0.298 nan 8.210 nan 0.000 0.413 91 E N 1.668 121.821 120.200 -0.077 0.000 2.077 91 E HA -0.267 4.083 4.350 0.001 0.000 0.193 91 E C 2.312 178.925 176.600 0.022 0.000 0.989 91 E CA 1.353 57.737 56.400 -0.027 0.000 0.800 91 E CB 0.020 29.710 29.700 -0.017 0.000 0.746 91 E HN 0.513 nan 8.360 nan 0.000 0.452 92 R N -0.220 120.302 120.500 0.037 0.000 2.189 92 R HA 0.045 4.386 4.340 0.001 0.000 0.218 92 R C 1.049 177.399 176.300 0.084 0.000 1.074 92 R CA 1.084 57.215 56.100 0.051 0.000 0.991 92 R CB -0.147 30.178 30.300 0.042 0.000 0.883 92 R HN 0.028 nan 8.270 nan 0.000 0.457 93 N N 1.133 119.919 118.700 0.144 0.000 2.320 93 N HA 0.051 4.791 4.740 0.001 0.000 0.237 93 N C 1.049 176.746 175.510 0.311 0.000 1.129 93 N CA -0.083 53.100 53.050 0.221 0.000 0.854 93 N CB 0.635 39.320 38.487 0.330 0.000 1.083 93 N HN 0.247 nan 8.380 nan 0.000 0.504 94 L N 0.968 122.304 121.223 0.187 0.000 1.956 94 L HA -0.250 4.090 4.340 0.001 0.000 0.216 94 L C 1.487 178.460 176.870 0.172 0.000 1.073 94 L CA 1.822 56.763 54.840 0.167 0.000 0.762 94 L CB -0.117 41.988 42.059 0.076 0.000 0.889 94 L HN 0.072 nan 8.230 nan 0.000 0.433 95 D N -0.539 119.924 120.400 0.105 0.000 2.149 95 D HA -0.204 4.437 4.640 0.001 0.000 0.194 95 D C 2.179 178.521 176.300 0.070 0.000 1.001 95 D CA 1.859 55.903 54.000 0.072 0.000 0.849 95 D CB -0.417 40.410 40.800 0.045 0.000 0.939 95 D HN 0.348 nan 8.370 nan 0.000 0.449 96 V N 0.232 120.187 119.914 0.068 0.000 2.427 96 V HA -0.195 3.925 4.120 0.001 0.000 0.248 96 V C 2.229 178.301 176.094 -0.038 0.000 1.051 96 V CA 1.184 63.480 62.300 -0.007 0.000 1.048 96 V CB -0.739 31.045 31.823 -0.066 0.000 0.666 96 V HN 0.021 nan 8.190 nan 0.000 0.456 97 F N 1.064 121.022 119.950 0.015 0.000 2.113 97 F HA -0.058 4.470 4.527 0.001 0.000 0.297 97 F C 2.532 178.337 175.800 0.009 0.000 1.103 97 F CA 1.558 59.569 58.000 0.018 0.000 1.248 97 F CB -0.737 38.277 39.000 0.023 0.000 0.999 97 F HN 0.072 nan 8.300 nan 0.000 0.475 98 A N -0.039 122.894 122.820 0.188 0.000 1.877 98 A HA -0.217 4.104 4.320 0.001 0.000 0.216 98 A C 2.087 179.699 177.584 0.047 0.000 1.186 98 A CA 1.888 53.982 52.037 0.094 0.000 0.620 98 A CB -0.860 18.182 19.000 0.070 0.000 0.822 98 A HN 0.433 nan 8.150 nan 0.000 0.443 99 E N -0.425 119.796 120.200 0.034 0.000 2.070 99 E HA -0.168 4.182 4.350 0.001 0.000 0.197 99 E C 1.944 178.544 176.600 0.001 0.000 1.004 99 E CA 1.537 57.944 56.400 0.011 0.000 0.805 99 E CB -0.333 29.368 29.700 0.002 0.000 0.744 99 E HN 0.407 nan 8.360 nan 0.000 0.451 100 V N 1.343 121.250 119.914 -0.011 0.000 2.515 100 V HA -0.219 3.902 4.120 0.001 0.000 0.250 100 V C 2.229 178.318 176.094 -0.009 0.000 1.058 100 V CA 1.228 63.513 62.300 -0.024 0.000 1.064 100 V CB -0.361 31.427 31.823 -0.060 0.000 0.675 100 V HN 0.255 nan 8.190 nan 0.000 0.461 101 L N -0.688 120.541 121.223 0.010 0.000 2.027 101 L HA -0.123 4.218 4.340 0.001 0.000 0.206 101 L C 2.514 179.372 176.870 -0.020 0.000 1.074 101 L CA 1.139 55.976 54.840 -0.005 0.000 0.745 101 L CB -0.563 41.489 42.059 -0.011 0.000 0.898 101 L HN 0.176 nan 8.230 nan 0.000 0.433 102 V N -0.511 119.396 119.914 -0.012 0.000 2.282 102 V HA -0.350 3.770 4.120 0.001 0.000 0.249 102 V C 2.559 178.660 176.094 0.011 0.000 1.057 102 V CA 1.754 64.053 62.300 -0.003 0.000 1.032 102 V CB -0.411 31.416 31.823 0.006 0.000 0.645 102 V HN 0.382 nan 8.190 nan 0.000 0.447 103 M N -0.533 119.070 119.600 0.006 0.000 2.123 103 M HA -0.104 4.377 4.480 0.001 0.000 0.263 103 M C 2.099 178.401 176.300 0.003 0.000 1.069 103 M CA 1.659 56.963 55.300 0.007 0.000 1.133 103 M CB -1.549 31.050 32.600 -0.001 0.000 1.356 103 M HN 0.491 nan 8.290 nan 0.000 0.415 104 N N -0.483 118.213 118.700 -0.006 0.000 2.250 104 N HA -0.029 4.711 4.740 0.001 0.000 0.181 104 N C 1.341 176.864 175.510 0.022 0.000 1.017 104 N CA 0.979 54.023 53.050 -0.010 0.000 0.866 104 N CB 0.300 38.767 38.487 -0.034 0.000 0.985 104 N HN 0.259 nan 8.380 nan 0.000 0.429 105 A N -0.374 122.473 122.820 0.044 0.000 2.197 105 A HA 0.372 4.692 4.320 0.001 0.000 0.210 105 A C 1.319 179.006 177.584 0.173 0.000 1.180 105 A CA 0.722 52.831 52.037 0.121 0.000 0.846 105 A CB 0.052 19.098 19.000 0.077 0.000 0.884 105 A HN 0.356 nan 8.150 nan 0.000 0.487 106 G N -0.193 108.664 108.800 0.095 0.000 2.137 106 G HA2 -0.268 3.692 3.960 0.001 0.000 0.237 106 G HA3 -0.268 3.692 3.960 0.001 0.000 0.237 106 G C 0.107 175.105 174.900 0.165 0.000 1.002 106 G CA 0.561 45.719 45.100 0.097 0.000 0.702 106 G HN 0.717 nan 8.290 nan 0.000 0.515 107 K N 0.806 121.254 120.400 0.080 0.000 2.234 107 K HA 0.505 4.825 4.320 0.001 0.000 0.282 107 K C -2.032 174.564 176.600 -0.006 0.000 1.039 107 K CA -2.054 54.217 56.287 -0.028 0.000 0.928 107 K CB 0.992 33.263 32.500 -0.381 0.000 1.039 107 K HN 0.006 nan 8.250 nan 0.000 0.470 108 P HA -0.095 nan 4.420 nan 0.000 0.269 108 P C -0.180 177.118 177.300 -0.003 0.000 1.205 108 P CA 0.030 63.147 63.100 0.028 0.000 0.780 108 P CB 0.608 32.338 31.700 0.050 0.000 0.858 109 K N 2.332 122.736 120.400 0.007 0.000 2.009 109 K HA -0.178 4.142 4.320 0.001 0.000 0.210 109 K C 1.984 178.580 176.600 -0.005 0.000 1.049 109 K CA 2.464 58.752 56.287 0.002 0.000 0.929 109 K CB -1.093 31.413 32.500 0.010 0.000 0.714 109 K HN 0.499 nan 8.250 nan 0.000 0.440 110 S N -0.086 115.614 115.700 -0.001 0.000 2.370 110 S HA -0.167 4.303 4.470 0.001 0.000 0.226 110 S C 2.220 176.806 174.600 -0.022 0.000 1.033 110 S CA 1.275 59.472 58.200 -0.005 0.000 1.011 110 S CB -0.780 62.422 63.200 0.003 0.000 0.852 110 S HN 0.365 nan 8.310 nan 0.000 0.457 111 A N 2.047 124.846 122.820 -0.036 0.000 1.930 111 A HA 0.371 4.691 4.320 0.001 0.000 0.217 111 A C 2.550 180.072 177.584 -0.103 0.000 1.175 111 A CA 1.659 53.649 52.037 -0.078 0.000 0.627 111 A CB -1.443 17.490 19.000 -0.112 0.000 0.815 111 A HN 0.900 nan 8.150 nan 0.000 0.443 112 A N -0.566 122.200 122.820 -0.090 0.000 1.902 112 A HA 0.004 4.324 4.320 0.001 0.000 0.217 112 A C 2.194 179.766 177.584 -0.021 0.000 1.181 112 A CA 1.759 53.752 52.037 -0.073 0.000 0.623 112 A CB -0.845 18.127 19.000 -0.046 0.000 0.818 112 A HN 0.375 nan 8.150 nan 0.000 0.443 113 V N -0.135 119.773 119.914 -0.010 0.000 2.427 113 V HA -0.141 3.980 4.120 0.001 0.000 0.248 113 V C 2.769 178.862 176.094 -0.002 0.000 1.051 113 V CA 1.761 64.065 62.300 0.007 0.000 1.048 113 V CB -1.279 30.549 31.823 0.007 0.000 0.666 113 V HN 0.615 nan 8.190 nan 0.000 0.456 114 G N -0.604 108.184 108.800 -0.019 0.000 2.418 114 G HA2 -0.296 3.665 3.960 0.001 0.000 0.217 114 G HA3 -0.296 3.665 3.960 0.001 0.000 0.217 114 G C 1.517 176.405 174.900 -0.020 0.000 1.158 114 G CA 0.969 46.053 45.100 -0.027 0.000 0.771 114 G HN 0.572 nan 8.290 nan 0.000 0.545 115 E N -0.064 120.131 120.200 -0.008 0.000 2.077 115 E HA -0.106 4.244 4.350 0.001 0.000 0.193 115 E C 2.634 179.284 176.600 0.083 0.000 0.989 115 E CA 1.125 57.553 56.400 0.048 0.000 0.800 115 E CB -0.080 29.651 29.700 0.052 0.000 0.746 115 E HN 0.246 nan 8.360 nan 0.000 0.452 116 V N 1.337 121.282 119.914 0.050 0.000 2.343 116 V HA -0.253 3.868 4.120 0.001 0.000 0.247 116 V C 2.239 178.336 176.094 0.005 0.000 1.051 116 V CA 2.054 64.366 62.300 0.021 0.000 1.036 116 V CB -0.427 31.409 31.823 0.022 0.000 0.654 116 V HN 0.232 nan 8.190 nan 0.000 0.451 117 K N 0.101 120.507 120.400 0.010 0.000 2.211 117 K HA -0.069 4.251 4.320 0.001 0.000 0.203 117 K C 2.253 178.871 176.600 0.031 0.000 1.050 117 K CA 1.253 57.544 56.287 0.007 0.000 0.945 117 K CB -0.315 32.184 32.500 -0.001 0.000 0.732 117 K HN 0.498 nan 8.250 nan 0.000 0.451 118 A N 1.523 124.368 122.820 0.041 0.000 1.873 118 A HA -0.067 4.254 4.320 0.001 0.000 0.215 118 A C 2.386 180.143 177.584 0.288 0.000 1.186 118 A CA 1.635 53.709 52.037 0.062 0.000 0.616 118 A CB -0.663 18.218 19.000 -0.199 0.000 0.823 118 A HN 0.296 nan 8.150 nan 0.000 0.442 119 A N -0.475 122.545 122.820 0.332 0.000 1.908 119 A HA -0.054 4.266 4.320 0.001 0.000 0.218 119 A C 2.248 179.880 177.584 0.081 0.000 1.181 119 A CA 1.960 54.138 52.037 0.234 0.000 0.627 119 A CB -1.010 18.041 19.000 0.084 0.000 0.818 119 A HN 0.395 nan 8.150 nan 0.000 0.445 120 V N 0.572 120.503 119.914 0.028 0.000 2.295 120 V HA -0.239 3.881 4.120 0.001 0.000 0.246 120 V C 2.199 178.315 176.094 0.038 0.000 1.049 120 V CA 2.325 64.622 62.300 -0.004 0.000 1.024 120 V CB -0.818 30.989 31.823 -0.027 0.000 0.648 120 V HN 0.509 nan 8.190 nan 0.000 0.447 121 D N -0.303 120.137 120.400 0.067 0.000 2.117 121 D HA -0.179 4.461 4.640 0.001 0.000 0.197 121 D C 2.292 178.656 176.300 0.107 0.000 0.987 121 D CA 1.236 55.282 54.000 0.078 0.000 0.829 121 D CB -0.292 40.555 40.800 0.078 0.000 0.961 121 D HN 0.219 nan 8.370 nan 0.000 0.460 122 R N 0.719 121.316 120.500 0.163 0.000 2.083 122 R HA -0.048 4.292 4.340 0.001 0.000 0.237 122 R C 2.316 178.669 176.300 0.089 0.000 1.137 122 R CA 0.997 57.200 56.100 0.171 0.000 0.951 122 R CB -0.776 29.662 30.300 0.229 0.000 0.851 122 R HN 0.184 nan 8.270 nan 0.000 0.434 123 L N -0.412 120.845 121.223 0.056 0.000 2.046 123 L HA -0.066 4.274 4.340 0.001 0.000 0.208 123 L C 2.730 179.624 176.870 0.039 0.000 1.077 123 L CA 1.645 56.507 54.840 0.035 0.000 0.747 123 L CB -0.369 41.698 42.059 0.013 0.000 0.896 123 L HN 0.189 nan 8.230 nan 0.000 0.432 124 R N 0.099 120.623 120.500 0.039 0.000 2.189 124 R HA -0.038 4.303 4.340 0.001 0.000 0.218 124 R C 1.546 177.869 176.300 0.038 0.000 1.074 124 R CA 0.770 56.891 56.100 0.035 0.000 0.991 124 R CB 0.080 30.399 30.300 0.032 0.000 0.883 124 R HN 0.330 nan 8.270 nan 0.000 0.457 125 L N -0.230 121.024 121.223 0.051 0.000 2.741 125 L HA 0.268 4.609 4.340 0.001 0.000 0.237 125 L C 1.625 178.517 176.870 0.037 0.000 1.178 125 L CA -0.251 54.620 54.840 0.051 0.000 0.973 125 L CB 0.590 42.696 42.059 0.077 0.000 1.255 125 L HN 0.142 nan 8.230 nan 0.000 0.498 126 A N 0.777 123.612 122.820 0.026 0.000 2.076 126 A HA -0.195 4.125 4.320 0.001 0.000 0.220 126 A C 2.264 179.833 177.584 -0.026 0.000 1.160 126 A CA 1.558 53.594 52.037 -0.001 0.000 0.653 126 A CB -0.260 18.733 19.000 -0.012 0.000 0.801 126 A HN 0.630 nan 8.150 nan 0.000 0.455 127 E N 0.497 120.689 120.200 -0.013 0.000 2.204 127 E HA -0.172 4.178 4.350 0.001 0.000 0.195 127 E C 1.724 178.314 176.600 -0.015 0.000 0.990 127 E CA 1.182 57.570 56.400 -0.020 0.000 0.821 127 E CB -0.563 29.132 29.700 -0.008 0.000 0.750 127 E HN 0.639 nan 8.360 nan 0.000 0.477 128 L N 1.372 122.591 121.223 -0.008 0.000 2.201 128 L HA -0.114 4.226 4.340 0.001 0.000 0.212 128 L C 1.921 178.781 176.870 -0.016 0.000 1.105 128 L CA 1.091 55.920 54.840 -0.018 0.000 0.775 128 L CB -0.433 41.608 42.059 -0.030 0.000 0.913 128 L HN 0.078 nan 8.230 nan 0.000 0.440 129 D N 0.397 120.796 120.400 -0.001 0.000 2.351 129 D HA -0.109 4.531 4.640 0.001 0.000 0.216 129 D C 2.102 178.442 176.300 0.066 0.000 0.968 129 D CA 0.899 54.922 54.000 0.038 0.000 0.899 129 D CB 0.185 40.999 40.800 0.023 0.000 0.907 129 D HN 0.421 nan 8.370 nan 0.000 0.514 130 L N 0.972 122.207 121.223 0.020 0.000 2.478 130 L HA -0.076 4.264 4.340 0.001 0.000 0.223 130 L C 2.481 179.357 176.870 0.010 0.000 1.140 130 L CA 0.391 55.250 54.840 0.031 0.000 0.842 130 L CB -0.273 41.787 42.059 0.001 0.000 0.953 130 L HN 0.023 nan 8.230 nan 0.000 0.452 131 K N -0.000 120.391 120.400 -0.015 0.000 2.211 131 K HA -0.152 4.168 4.320 0.001 0.000 0.204 131 K C 0.823 177.386 176.600 -0.063 0.000 1.047 131 K CA 1.107 57.370 56.287 -0.040 0.000 0.935 131 K CB -0.089 32.376 32.500 -0.058 0.000 0.728 131 K HN 0.063 nan 8.250 nan 0.000 0.452 132 K N 0.791 121.145 120.400 -0.077 0.000 2.814 132 K HA 0.181 4.501 4.320 0.001 0.000 0.213 132 K C 0.689 177.241 176.600 -0.080 0.000 1.113 132 K CA -0.080 56.133 56.287 -0.123 0.000 1.145 132 K CB 0.340 32.697 32.500 -0.239 0.000 0.948 132 K HN 0.196 nan 8.250 nan 0.000 0.464 133 I N -0.220 120.339 120.570 -0.018 0.000 3.081 133 I HA 0.065 4.235 4.170 0.001 0.000 0.274 133 I C 1.113 177.227 176.117 -0.005 0.000 1.178 133 I CA 0.277 61.583 61.300 0.010 0.000 1.460 133 I CB 0.128 38.163 38.000 0.058 0.000 1.137 133 I HN 0.226 nan 8.210 nan 0.000 0.443 134 G N 0.087 108.885 108.800 -0.004 0.000 2.794 134 G HA2 0.348 4.309 3.960 0.001 0.000 0.249 134 G HA3 0.348 4.309 3.960 0.001 0.000 0.249 134 G C 0.205 175.115 174.900 0.017 0.000 1.236 134 G CA 0.119 45.224 45.100 0.007 0.000 0.880 134 G HN 0.494 nan 8.290 nan 0.000 0.586 135 G N -1.488 107.330 108.800 0.030 0.000 3.075 135 G HA2 0.596 4.556 3.960 0.001 0.000 0.253 135 G HA3 0.596 4.556 3.960 0.001 0.000 0.253 135 G C -1.372 173.560 174.900 0.054 0.000 1.353 135 G CA -0.599 44.529 45.100 0.048 0.000 1.051 135 G HN 0.504 nan 8.290 nan 0.000 0.553 136 D N -0.801 119.635 120.400 0.059 0.000 2.619 136 D HA 0.284 4.924 4.640 0.001 0.000 0.241 136 D C -1.562 174.821 176.300 0.139 0.000 1.087 136 D CA -0.126 53.921 54.000 0.079 0.000 0.851 136 D CB 2.670 43.492 40.800 0.037 0.000 1.474 136 D HN 0.355 nan 8.370 nan 0.000 0.478 137 Y N 1.542 121.862 120.300 0.033 0.000 2.334 137 Y HA 0.437 4.987 4.550 0.001 0.000 0.336 137 Y C -0.368 175.563 175.900 0.052 0.000 0.960 137 Y CA -0.805 57.328 58.100 0.056 0.000 1.164 137 Y CB 0.843 39.334 38.460 0.053 0.000 1.155 137 Y HN 0.236 nan 8.280 nan 0.000 0.478 138 I N 9.328 130.118 120.570 0.367 0.000 2.359 138 I HA 0.274 4.445 4.170 0.001 0.000 0.284 138 I C -2.196 174.038 176.117 0.196 0.000 1.018 138 I CA -2.198 59.218 61.300 0.193 0.000 1.173 138 I CB 1.196 39.272 38.000 0.127 0.000 1.326 138 I HN 0.425 nan 8.210 nan 0.000 0.462 139 P HA 0.098 nan 4.420 nan 0.000 0.271 139 P C 0.583 177.933 177.300 0.083 0.000 1.218 139 P CA -0.131 63.011 63.100 0.071 0.000 0.780 139 P CB 1.344 33.085 31.700 0.068 0.000 0.901 140 G N 1.159 109.916 108.800 -0.072 0.000 3.233 140 G HA2 -0.036 3.924 3.960 0.001 0.000 0.234 140 G HA3 -0.036 3.924 3.960 0.001 0.000 0.234 140 G C 0.600 175.355 174.900 -0.242 0.000 1.137 140 G CA -0.183 44.859 45.100 -0.096 0.000 0.763 140 G HN 0.598 nan 8.290 nan 0.000 0.549 141 D N -0.380 119.753 120.400 -0.446 0.000 2.325 141 D HA -0.030 4.611 4.640 0.001 0.000 0.234 141 D C 0.569 176.344 176.300 -0.876 0.000 1.122 141 D CA -0.548 53.046 54.000 -0.677 0.000 0.850 141 D CB -0.242 40.078 40.800 -0.800 0.000 0.921 141 D HN 0.491 nan 8.370 nan 0.000 0.513 142 W N 0.788 121.965 121.300 -0.204 0.000 3.316 142 W HA 0.266 4.926 4.660 0.001 0.000 0.327 142 W C 0.278 176.693 176.519 -0.173 0.000 1.232 142 W CA -0.287 56.953 57.345 -0.175 0.000 1.805 142 W CB 0.755 30.142 29.460 -0.123 0.000 1.090 142 W HN -0.225 nan 8.180 nan 0.000 0.654 143 T N -0.965 113.507 114.554 -0.136 0.000 3.041 143 T HA 0.070 4.420 4.350 0.001 0.000 0.321 143 T C -0.108 174.490 174.700 -0.170 0.000 1.184 143 T CA -0.609 61.430 62.100 -0.102 0.000 1.050 143 T CB 1.054 69.921 68.868 -0.001 0.000 1.159 143 T HN -0.198 nan 8.240 nan 0.000 0.469 144 Y N 1.378 121.647 120.300 -0.052 0.000 2.224 144 Y HA -0.087 4.463 4.550 0.001 0.000 0.289 144 Y C 2.258 178.129 175.900 -0.048 0.000 1.146 144 Y CA 1.467 59.531 58.100 -0.061 0.000 1.182 144 Y CB -0.015 38.419 38.460 -0.044 0.000 0.983 144 Y HN 0.683 nan 8.280 nan 0.000 0.524 145 D N -0.960 119.508 120.400 0.114 0.000 2.218 145 D HA -0.133 4.508 4.640 0.001 0.000 0.204 145 D C 1.754 178.070 176.300 0.026 0.000 0.976 145 D CA 1.738 55.775 54.000 0.063 0.000 0.853 145 D CB -0.082 40.747 40.800 0.048 0.000 0.939 145 D HN 0.379 nan 8.370 nan 0.000 0.481 146 T N -2.297 112.254 114.554 -0.005 0.000 3.105 146 T HA 0.190 4.540 4.350 0.001 0.000 0.253 146 T C 0.632 175.283 174.700 -0.082 0.000 1.047 146 T CA -0.639 61.444 62.100 -0.028 0.000 0.944 146 T CB -0.104 68.751 68.868 -0.022 0.000 1.016 146 T HN -0.118 nan 8.240 nan 0.000 0.544 147 L N 2.624 123.789 121.223 -0.097 0.000 2.559 147 L HA 0.114 4.455 4.340 0.001 0.000 0.282 147 L C 1.012 177.804 176.870 -0.129 0.000 1.232 147 L CA 1.061 55.801 54.840 -0.166 0.000 0.885 147 L CB -0.634 41.377 42.059 -0.080 0.000 1.131 147 L HN 0.515 nan 8.230 nan 0.000 0.498 148 E N 0.222 120.253 120.200 -0.283 0.000 2.971 148 E HA -0.239 4.112 4.350 0.001 0.000 0.278 148 E C 0.023 176.692 176.600 0.116 0.000 1.009 148 E CA 0.901 57.258 56.400 -0.071 0.000 0.862 148 E CB -1.330 28.499 29.700 0.215 0.000 1.436 148 E HN 0.748 nan 8.360 nan 0.000 0.434 149 T N -0.315 114.212 114.554 -0.045 0.000 2.926 149 T HA 0.576 4.926 4.350 0.001 0.000 0.289 149 T C -0.829 173.948 174.700 0.129 0.000 1.054 149 T CA -0.494 61.670 62.100 0.107 0.000 1.015 149 T CB 2.109 71.004 68.868 0.044 0.000 1.167 149 T HN 0.142 nan 8.240 nan 0.000 0.526 150 E N -0.657 119.712 120.200 0.282 0.000 2.363 150 E HA 0.524 4.875 4.350 0.001 0.000 0.281 150 E C -1.199 175.641 176.600 0.399 0.000 0.953 150 E CA -0.795 55.829 56.400 0.373 0.000 0.778 150 E CB 2.019 32.073 29.700 0.589 0.000 1.220 150 E HN 0.761 nan 8.360 nan 0.000 0.431 151 G N 1.905 110.914 108.800 0.348 0.000 2.482 151 G HA2 0.644 4.605 3.960 0.001 0.000 0.317 151 G HA3 0.644 4.605 3.960 0.001 0.000 0.317 151 G C -1.485 173.573 174.900 0.264 0.000 1.241 151 G CA -0.351 44.910 45.100 0.268 0.000 0.967 151 G HN 0.192 nan 8.290 nan 0.000 0.482 152 L N 1.830 123.160 121.223 0.178 0.000 2.381 152 L HA 0.544 4.884 4.340 0.001 0.000 0.274 152 L C -0.593 176.311 176.870 0.056 0.000 0.988 152 L CA -0.783 54.103 54.840 0.077 0.000 0.824 152 L CB 1.689 43.792 42.059 0.074 0.000 1.263 152 L HN 0.268 nan 8.230 nan 0.000 0.410 153 V N 5.386 125.323 119.914 0.038 0.000 2.409 153 V HA 0.641 4.761 4.120 0.001 0.000 0.291 153 V C 0.102 176.242 176.094 0.076 0.000 1.020 153 V CA -0.734 61.583 62.300 0.028 0.000 0.848 153 V CB 1.950 33.738 31.823 -0.059 0.000 0.990 153 V HN 0.861 nan 8.190 nan 0.000 0.430 154 R N 4.334 124.898 120.500 0.107 0.000 2.855 154 R HA 0.741 5.082 4.340 0.001 0.000 0.266 154 R C -1.033 175.332 176.300 0.108 0.000 1.034 154 R CA -1.073 55.083 56.100 0.093 0.000 0.944 154 R CB 2.232 32.559 30.300 0.044 0.000 1.219 154 R HN 0.539 nan 8.270 nan 0.000 0.474 155 R N 0.413 120.924 120.500 0.019 0.000 2.573 155 R HA 0.334 4.675 4.340 0.001 0.000 0.272 155 R C -0.754 175.505 176.300 -0.068 0.000 1.009 155 R CA -0.647 55.406 56.100 -0.079 0.000 1.059 155 R CB 1.578 31.750 30.300 -0.214 0.000 1.112 155 R HN 0.644 nan 8.270 nan 0.000 0.517 156 E N 1.836 121.980 120.200 -0.094 0.000 2.356 156 E HA 0.358 4.709 4.350 0.001 0.000 0.275 156 E C -2.563 173.982 176.600 -0.092 0.000 0.904 156 E CA -2.374 53.983 56.400 -0.072 0.000 0.757 156 E CB 2.463 32.133 29.700 -0.049 0.000 1.232 156 E HN 0.277 nan 8.360 nan 0.000 0.442 157 P HA 0.046 nan 4.420 nan 0.000 0.272 157 P C 0.417 177.663 177.300 -0.090 0.000 1.223 157 P CA 0.077 63.136 63.100 -0.070 0.000 0.784 157 P CB 1.033 32.690 31.700 -0.072 0.000 0.923 158 L N 0.647 121.828 121.223 -0.071 0.000 2.179 158 L HA 0.100 4.441 4.340 0.001 0.000 0.208 158 L C 1.809 178.640 176.870 -0.066 0.000 1.096 158 L CA 1.845 56.645 54.840 -0.066 0.000 0.779 158 L CB -0.646 41.378 42.059 -0.059 0.000 0.922 158 L HN 0.756 nan 8.230 nan 0.000 0.443 159 G N -1.088 107.669 108.800 -0.072 0.000 1.649 159 G HA2 -0.158 3.803 3.960 0.001 0.000 0.099 159 G HA3 -0.158 3.803 3.960 0.001 0.000 0.099 159 G C -0.646 174.242 174.900 -0.019 0.000 1.449 159 G CA -0.242 44.804 45.100 -0.090 0.000 1.238 159 G HN -0.159 nan 8.290 nan 0.000 0.398 160 V N 1.973 121.917 119.914 0.049 0.000 2.347 160 V HA 0.636 4.757 4.120 0.001 0.000 0.280 160 V C 0.158 176.276 176.094 0.040 0.000 1.021 160 V CA -0.613 61.727 62.300 0.066 0.000 0.847 160 V CB 1.295 33.188 31.823 0.117 0.000 0.990 160 V HN 0.618 nan 8.190 nan 0.000 0.444 161 V N 4.295 124.235 119.914 0.044 0.000 2.394 161 V HA 0.680 4.801 4.120 0.001 0.000 0.282 161 V C 0.585 176.697 176.094 0.031 0.000 1.031 161 V CA -0.536 61.784 62.300 0.034 0.000 0.881 161 V CB 1.612 33.471 31.823 0.060 0.000 0.982 161 V HN 0.951 nan 8.190 nan 0.000 0.451 162 A N 4.225 127.060 122.820 0.024 0.000 2.276 162 A HA 0.791 5.111 4.320 0.001 0.000 0.300 162 A C 0.327 177.942 177.584 0.051 0.000 1.235 162 A CA -0.210 51.848 52.037 0.036 0.000 0.867 162 A CB 0.575 19.601 19.000 0.043 0.000 1.137 162 A HN 1.267 nan 8.150 nan 0.000 0.527 163 A N 3.819 126.656 122.820 0.030 0.000 2.256 163 A HA 0.643 4.963 4.320 0.001 0.000 0.317 163 A C -0.362 177.240 177.584 0.029 0.000 1.318 163 A CA -0.323 51.724 52.037 0.016 0.000 0.894 163 A CB -0.016 18.953 19.000 -0.052 0.000 1.165 163 A HN 0.745 nan 8.150 nan 0.000 0.525 164 I N 2.317 122.925 120.570 0.064 0.000 2.321 164 I HA 0.303 4.474 4.170 0.001 0.000 0.291 164 I C 0.211 176.268 176.117 -0.099 0.000 0.998 164 I CA -0.084 61.243 61.300 0.045 0.000 1.227 164 I CB 2.004 40.133 38.000 0.215 0.000 1.368 164 I HN 0.493 nan 8.210 nan 0.000 0.466 165 T N 7.531 122.035 114.554 -0.083 0.000 2.888 165 T HA 0.474 4.825 4.350 0.001 0.000 0.284 165 T C -2.357 172.284 174.700 -0.099 0.000 1.017 165 T CA -1.205 60.837 62.100 -0.096 0.000 1.022 165 T CB 2.053 70.906 68.868 -0.026 0.000 1.013 165 T HN 0.406 nan 8.240 nan 0.000 0.465 166 P HA 0.292 nan 4.420 nan 0.000 0.284 166 P C 0.455 177.782 177.300 0.046 0.000 1.292 166 P CA -0.622 62.433 63.100 -0.075 0.000 0.800 166 P CB 0.709 32.314 31.700 -0.158 0.000 1.188 167 F N 0.350 120.346 119.950 0.076 0.000 2.569 167 F HA 0.057 4.584 4.527 0.001 0.000 0.295 167 F C 1.553 177.448 175.800 0.160 0.000 1.115 167 F CA 0.616 58.678 58.000 0.104 0.000 1.450 167 F CB -1.517 37.542 39.000 0.098 0.000 1.107 167 F HN 0.100 nan 8.300 nan 0.000 0.563 168 N N -0.304 118.070 118.700 -0.544 0.000 2.459 168 N HA -0.168 4.572 4.740 0.001 0.000 0.181 168 N C -0.495 174.863 175.510 -0.254 0.000 1.046 168 N CA 0.871 53.789 53.050 -0.219 0.000 0.904 168 N CB -0.614 37.779 38.487 -0.158 0.000 0.964 168 N HN 0.495 nan 8.380 nan 0.000 0.444 169 Y N 0.299 120.597 120.300 -0.002 0.000 2.512 169 Y HA 0.337 4.887 4.550 0.001 0.000 0.326 169 Y C -1.792 174.152 175.900 0.074 0.000 1.008 169 Y CA -1.792 56.336 58.100 0.046 0.000 1.139 169 Y CB 1.527 40.063 38.460 0.127 0.000 1.137 169 Y HN -0.054 nan 8.280 nan 0.000 0.630 170 P HA -0.218 nan 4.420 nan 0.000 0.217 170 P C 1.459 178.834 177.300 0.125 0.000 1.148 170 P CA 1.294 64.464 63.100 0.117 0.000 0.828 170 P CB 0.836 32.593 31.700 0.096 0.000 0.783 171 L N -1.314 120.003 121.223 0.156 0.000 2.116 171 L HA 0.113 4.454 4.340 0.001 0.000 0.200 171 L C 2.595 179.557 176.870 0.153 0.000 1.084 171 L CA 1.276 56.215 54.840 0.165 0.000 0.766 171 L CB -1.769 40.408 42.059 0.196 0.000 0.930 171 L HN -0.226 nan 8.230 nan 0.000 0.453 172 F N 1.110 121.129 119.950 0.116 0.000 2.091 172 F HA -0.297 4.231 4.527 0.001 0.000 0.299 172 F C 2.154 177.995 175.800 0.069 0.000 1.103 172 F CA 2.271 60.330 58.000 0.097 0.000 1.228 172 F CB -0.509 38.578 39.000 0.145 0.000 0.984 172 F HN 0.263 nan 8.300 nan 0.000 0.477 173 D N 0.242 120.674 120.400 0.054 0.000 2.149 173 D HA -0.169 4.471 4.640 0.001 0.000 0.198 173 D C 2.344 178.542 176.300 -0.170 0.000 0.990 173 D CA 1.469 55.428 54.000 -0.068 0.000 0.839 173 D CB -0.640 40.207 40.800 0.079 0.000 0.948 173 D HN 0.410 nan 8.370 nan 0.000 0.460 174 A N 0.306 123.060 122.820 -0.110 0.000 1.898 174 A HA -0.101 4.219 4.320 0.001 0.000 0.216 174 A C 2.518 179.981 177.584 -0.203 0.000 1.181 174 A CA 1.051 53.014 52.037 -0.124 0.000 0.620 174 A CB -0.658 18.311 19.000 -0.051 0.000 0.819 174 A HN 0.141 nan 8.150 nan 0.000 0.442 175 V N 0.899 120.676 119.914 -0.228 0.000 2.358 175 V HA -0.245 3.875 4.120 0.001 0.000 0.246 175 V C 2.466 178.355 176.094 -0.341 0.000 1.047 175 V CA 2.297 64.448 62.300 -0.250 0.000 1.035 175 V CB -1.075 30.621 31.823 -0.211 0.000 0.658 175 V HN 0.725 nan 8.190 nan 0.000 0.452 176 N N 0.644 119.010 118.700 -0.557 0.000 2.025 176 N HA -0.196 4.544 4.740 0.001 0.000 0.194 176 N C 1.808 176.997 175.510 -0.535 0.000 1.044 176 N CA 1.841 54.582 53.050 -0.516 0.000 0.851 176 N CB -0.226 37.844 38.487 -0.694 0.000 1.036 176 N HN 0.424 nan 8.380 nan 0.000 0.422 177 K N -0.225 119.808 120.400 -0.611 0.000 2.097 177 K HA -0.032 4.288 4.320 0.001 0.000 0.206 177 K C 2.095 178.296 176.600 -0.664 0.000 1.049 177 K CA 1.087 56.815 56.287 -0.932 0.000 0.933 177 K CB -0.126 32.105 32.500 -0.447 0.000 0.717 177 K HN 0.279 nan 8.250 nan 0.000 0.442 178 I N 0.618 120.976 120.570 -0.354 0.000 2.252 178 I HA -0.255 3.915 4.170 0.001 0.000 0.245 178 I C 2.149 178.237 176.117 -0.048 0.000 1.102 178 I CA 1.183 62.383 61.300 -0.167 0.000 1.385 178 I CB -0.333 37.565 38.000 -0.170 0.000 1.064 178 I HN 0.177 nan 8.210 nan 0.000 0.414 179 T N 0.767 115.259 114.554 -0.103 0.000 2.622 179 T HA -0.236 4.114 4.350 0.001 0.000 0.266 179 T C 1.785 176.523 174.700 0.064 0.000 1.047 179 T CA 2.170 64.284 62.100 0.025 0.000 1.159 179 T CB -0.529 68.336 68.868 -0.006 0.000 0.863 179 T HN 0.502 nan 8.240 nan 0.000 0.422 180 Y N 1.430 121.749 120.300 0.032 0.000 2.352 180 Y HA 0.147 4.698 4.550 0.001 0.000 0.292 180 Y C 2.375 178.341 175.900 0.110 0.000 1.136 180 Y CA 0.350 58.477 58.100 0.044 0.000 1.227 180 Y CB -1.085 37.446 38.460 0.117 0.000 0.991 180 Y HN 0.053 nan 8.280 nan 0.000 0.545 181 S N 0.492 116.330 115.700 0.230 0.000 2.357 181 S HA -0.104 4.367 4.470 0.001 0.000 0.221 181 S C 1.660 176.392 174.600 0.221 0.000 1.031 181 S CA 1.165 59.520 58.200 0.259 0.000 0.982 181 S CB -0.766 62.511 63.200 0.128 0.000 0.853 181 S HN 0.539 nan 8.310 nan 0.000 0.458 182 F N 2.114 122.091 119.950 0.045 0.000 2.206 182 F HA 0.048 4.575 4.527 0.001 0.000 0.298 182 F C 1.838 177.569 175.800 -0.114 0.000 1.090 182 F CA 0.353 58.354 58.000 0.001 0.000 1.323 182 F CB -0.453 38.603 39.000 0.094 0.000 1.028 182 F HN 0.099 nan 8.300 nan 0.000 0.492 183 I N -0.122 120.266 120.570 -0.303 0.000 2.335 183 I HA -0.311 3.859 4.170 0.001 0.000 0.251 183 I C 1.370 177.099 176.117 -0.647 0.000 1.129 183 I CA 1.741 62.693 61.300 -0.580 0.000 1.402 183 I CB -0.752 36.901 38.000 -0.579 0.000 1.069 183 I HN 0.177 nan 8.210 nan 0.000 0.424 184 Y N 0.452 120.655 120.300 -0.161 0.000 2.466 184 Y HA 0.428 4.978 4.550 0.001 0.000 0.272 184 Y C 1.857 177.648 175.900 -0.182 0.000 1.169 184 Y CA 0.120 58.132 58.100 -0.146 0.000 1.285 184 Y CB -0.263 38.147 38.460 -0.084 0.000 1.078 184 Y HN 0.235 nan 8.280 nan 0.000 0.523 185 G N -0.279 108.415 108.800 -0.178 0.000 2.148 185 G HA2 -0.231 3.730 3.960 0.001 0.000 0.203 185 G HA3 -0.231 3.730 3.960 0.001 0.000 0.203 185 G C -0.061 174.780 174.900 -0.098 0.000 0.993 185 G CA -0.495 44.493 45.100 -0.187 0.000 0.661 185 G HN 0.265 nan 8.290 nan 0.000 0.518 186 N N 0.472 119.170 118.700 -0.004 0.000 2.476 186 N HA 0.672 5.413 4.740 0.001 0.000 0.275 186 N C 0.417 176.013 175.510 0.143 0.000 1.190 186 N CA 0.449 53.525 53.050 0.043 0.000 0.977 186 N CB 1.578 40.115 38.487 0.083 0.000 1.200 186 N HN 0.590 nan 8.380 nan 0.000 0.515 187 A N 0.403 123.290 122.820 0.112 0.000 2.282 187 A HA 0.689 5.009 4.320 0.001 0.000 0.319 187 A C -0.435 177.242 177.584 0.156 0.000 1.121 187 A CA -0.491 51.651 52.037 0.175 0.000 0.836 187 A CB 0.741 19.804 19.000 0.105 0.000 1.146 187 A HN 0.365 nan 8.150 nan 0.000 0.494 188 V N 0.471 120.476 119.914 0.153 0.000 2.841 188 V HA 0.511 4.631 4.120 0.001 0.000 0.310 188 V C -0.757 175.349 176.094 0.019 0.000 1.090 188 V CA -0.633 61.711 62.300 0.073 0.000 0.930 188 V CB 1.737 33.588 31.823 0.047 0.000 1.014 188 V HN 0.657 nan 8.190 nan 0.000 0.425 189 V N 3.925 123.845 119.914 0.010 0.000 2.334 189 V HA 0.466 4.587 4.120 0.001 0.000 0.281 189 V C -0.112 175.975 176.094 -0.012 0.000 1.016 189 V CA -0.616 61.683 62.300 -0.003 0.000 0.832 189 V CB 1.433 33.262 31.823 0.010 0.000 0.999 189 V HN 0.621 nan 8.190 nan 0.000 0.439 190 V N 4.750 124.646 119.914 -0.030 0.000 2.439 190 V HA 0.522 4.643 4.120 0.001 0.000 0.282 190 V C 0.249 176.344 176.094 0.001 0.000 1.039 190 V CA -0.549 61.734 62.300 -0.028 0.000 0.913 190 V CB 1.763 33.553 31.823 -0.056 0.000 0.983 190 V HN 0.710 nan 8.190 nan 0.000 0.460 191 K N 6.712 127.121 120.400 0.015 0.000 2.626 191 K HA 0.425 4.745 4.320 0.001 0.000 0.223 191 K C -2.763 173.856 176.600 0.033 0.000 0.992 191 K CA -2.098 54.210 56.287 0.034 0.000 1.024 191 K CB 2.029 34.560 32.500 0.052 0.000 1.225 191 K HN 0.402 nan 8.250 nan 0.000 0.498 192 P HA 0.088 nan 4.420 nan 0.000 0.276 192 P C -0.169 177.161 177.300 0.050 0.000 1.252 192 P CA -0.404 62.718 63.100 0.037 0.000 0.802 192 P CB 0.916 32.642 31.700 0.044 0.000 1.035 193 S N 0.649 116.387 115.700 0.062 0.000 2.537 193 S HA 0.014 4.484 4.470 0.001 0.000 0.286 193 S C 1.314 175.955 174.600 0.068 0.000 1.299 193 S CA -0.458 57.793 58.200 0.085 0.000 1.067 193 S CB -0.738 62.550 63.200 0.146 0.000 0.864 193 S HN 0.320 nan 8.310 nan 0.000 0.494 194 I N 5.268 125.872 120.570 0.057 0.000 3.334 194 I HA -0.005 4.166 4.170 0.001 0.000 0.282 194 I C 2.236 178.366 176.117 0.021 0.000 1.313 194 I CA 0.872 62.194 61.300 0.036 0.000 1.396 194 I CB -0.479 37.542 38.000 0.034 0.000 1.054 194 I HN 0.765 nan 8.210 nan 0.000 0.495 195 S N 0.728 116.449 115.700 0.035 0.000 2.414 195 S HA -0.051 4.420 4.470 0.001 0.000 0.227 195 S C 0.423 175.029 174.600 0.009 0.000 1.022 195 S CA 1.225 59.430 58.200 0.009 0.000 0.958 195 S CB -0.143 63.059 63.200 0.003 0.000 0.797 195 S HN 0.628 nan 8.310 nan 0.000 0.493 196 D N -0.610 119.814 120.400 0.039 0.000 3.118 196 D HA 0.193 4.833 4.640 0.001 0.000 0.259 196 D C -2.495 173.812 176.300 0.012 0.000 1.292 196 D CA -0.944 53.067 54.000 0.018 0.000 0.784 196 D CB 0.377 41.216 40.800 0.065 0.000 1.413 196 D HN 0.207 nan 8.370 nan 0.000 0.583 197 P HA 0.059 nan 4.420 nan 0.000 0.245 197 P C 1.529 178.804 177.300 -0.043 0.000 1.206 197 P CA -0.082 63.012 63.100 -0.009 0.000 0.781 197 P CB 0.752 32.453 31.700 0.001 0.000 0.994 198 L N 0.117 121.245 121.223 -0.159 0.000 2.017 198 L HA -0.064 4.276 4.340 0.001 0.000 0.208 198 L C -0.252 176.601 176.870 -0.029 0.000 1.073 198 L CA 1.863 56.550 54.840 -0.256 0.000 0.745 198 L CB -2.612 39.165 42.059 -0.470 0.000 0.894 198 L HN 0.034 nan 8.230 nan 0.000 0.432 199 P HA -0.159 nan 4.420 nan 0.000 0.218 199 P C 1.507 178.902 177.300 0.158 0.000 1.148 199 P CA 1.712 64.873 63.100 0.100 0.000 0.822 199 P CB 0.015 31.787 31.700 0.119 0.000 0.784 200 A N 0.043 122.931 122.820 0.114 0.000 1.898 200 A HA -0.095 4.225 4.320 0.001 0.000 0.216 200 A C 2.316 179.993 177.584 0.154 0.000 1.181 200 A CA 1.986 54.088 52.037 0.109 0.000 0.620 200 A CB -1.595 17.448 19.000 0.072 0.000 0.819 200 A HN 0.183 nan 8.150 nan 0.000 0.442 201 A N -0.343 122.598 122.820 0.201 0.000 1.883 201 A HA -0.182 4.138 4.320 0.001 0.000 0.217 201 A C 2.266 180.008 177.584 0.263 0.000 1.186 201 A CA 1.981 54.216 52.037 0.330 0.000 0.624 201 A CB -0.591 18.660 19.000 0.419 0.000 0.822 201 A HN 0.541 nan 8.150 nan 0.000 0.444 202 M N -0.625 119.080 119.600 0.176 0.000 2.159 202 M HA -0.131 4.349 4.480 0.001 0.000 0.263 202 M C 2.496 178.982 176.300 0.310 0.000 1.063 202 M CA 1.367 56.725 55.300 0.097 0.000 1.110 202 M CB -0.396 32.059 32.600 -0.242 0.000 1.374 202 M HN 0.494 nan 8.290 nan 0.000 0.411 203 A N -0.094 122.925 122.820 0.332 0.000 1.873 203 A HA -0.087 4.233 4.320 0.001 0.000 0.215 203 A C 2.252 179.882 177.584 0.076 0.000 1.186 203 A CA 1.478 53.647 52.037 0.219 0.000 0.616 203 A CB -0.993 18.074 19.000 0.112 0.000 0.823 203 A HN 0.258 nan 8.150 nan 0.000 0.442 204 V N 0.550 120.492 119.914 0.046 0.000 2.255 204 V HA -0.302 3.819 4.120 0.001 0.000 0.247 204 V C 2.623 178.697 176.094 -0.032 0.000 1.051 204 V CA 2.613 64.859 62.300 -0.090 0.000 1.018 204 V CB -0.685 31.079 31.823 -0.099 0.000 0.641 204 V HN 0.657 nan 8.190 nan 0.000 0.445 205 K N 1.001 121.520 120.400 0.198 0.000 2.074 205 K HA -0.174 4.146 4.320 0.001 0.000 0.209 205 K C 2.038 178.686 176.600 0.080 0.000 1.048 205 K CA 1.998 58.406 56.287 0.203 0.000 0.926 205 K CB -0.865 31.697 32.500 0.104 0.000 0.713 205 K HN 0.411 nan 8.250 nan 0.000 0.444 206 A N 0.425 123.305 122.820 0.100 0.000 1.933 206 A HA -0.108 4.212 4.320 0.001 0.000 0.218 206 A C 2.264 179.862 177.584 0.024 0.000 1.175 206 A CA 1.678 53.766 52.037 0.086 0.000 0.628 206 A CB -0.657 18.427 19.000 0.139 0.000 0.814 206 A HN 0.332 nan 8.150 nan 0.000 0.444 207 L N -0.794 120.410 121.223 -0.033 0.000 2.056 207 L HA -0.162 4.179 4.340 0.001 0.000 0.207 207 L C 2.573 179.430 176.870 -0.021 0.000 1.078 207 L CA 1.037 55.840 54.840 -0.061 0.000 0.749 207 L CB -0.493 41.418 42.059 -0.248 0.000 0.901 207 L HN 0.369 nan 8.230 nan 0.000 0.433 208 L N -0.507 120.664 121.223 -0.088 0.000 2.046 208 L HA -0.250 4.091 4.340 0.001 0.000 0.208 208 L C 2.211 179.094 176.870 0.022 0.000 1.077 208 L CA 1.147 55.956 54.840 -0.052 0.000 0.747 208 L CB -0.651 41.320 42.059 -0.147 0.000 0.896 208 L HN 0.279 nan 8.230 nan 0.000 0.432 209 D N 0.181 120.599 120.400 0.029 0.000 2.178 209 D HA -0.151 4.489 4.640 0.001 0.000 0.201 209 D C 2.113 178.437 176.300 0.040 0.000 0.980 209 D CA 1.424 55.447 54.000 0.039 0.000 0.842 209 D CB -0.023 40.800 40.800 0.038 0.000 0.948 209 D HN 0.328 nan 8.370 nan 0.000 0.472 210 A N -0.554 122.291 122.820 0.042 0.000 2.167 210 A HA 0.358 4.678 4.320 0.001 0.000 0.214 210 A C 1.777 179.392 177.584 0.053 0.000 1.151 210 A CA 1.357 53.422 52.037 0.046 0.000 0.735 210 A CB -0.052 18.977 19.000 0.048 0.000 0.802 210 A HN 0.291 nan 8.150 nan 0.000 0.467 211 G N -2.399 106.438 108.800 0.062 0.000 2.175 211 G HA2 -0.186 3.775 3.960 0.001 0.000 0.182 211 G HA3 -0.186 3.775 3.960 0.001 0.000 0.182 211 G C 0.011 174.950 174.900 0.065 0.000 1.003 211 G CA -0.142 44.994 45.100 0.060 0.000 0.666 211 G HN 0.524 nan 8.290 nan 0.000 0.506 212 F N 2.778 122.659 119.950 -0.115 0.000 2.602 212 F HA 0.449 4.976 4.527 0.001 0.000 0.385 212 F C -1.443 174.281 175.800 -0.127 0.000 1.063 212 F CA -1.486 56.375 58.000 -0.231 0.000 1.233 212 F CB 0.509 39.291 39.000 -0.363 0.000 1.067 212 F HN -0.040 nan 8.300 nan 0.000 0.564 213 P HA -0.084 nan 4.420 nan 0.000 0.253 213 P C -1.892 175.554 177.300 0.243 0.000 1.159 213 P CA -0.504 62.645 63.100 0.081 0.000 0.779 213 P CB 0.091 31.800 31.700 0.015 0.000 0.745 214 P HA -0.204 nan 4.420 nan 0.000 0.221 214 P C 0.465 177.899 177.300 0.225 0.000 1.145 214 P CA 1.587 64.818 63.100 0.219 0.000 0.795 214 P CB 0.084 31.890 31.700 0.177 0.000 0.775 215 D N -1.097 119.398 120.400 0.159 0.000 2.363 215 D HA 0.170 4.811 4.640 0.001 0.000 0.214 215 D C 1.328 177.707 176.300 0.132 0.000 1.093 215 D CA -0.107 53.958 54.000 0.108 0.000 0.837 215 D CB -0.534 40.312 40.800 0.077 0.000 0.948 215 D HN 0.111 nan 8.370 nan 0.000 0.507 216 A N 0.261 123.207 122.820 0.209 0.000 2.387 216 A HA 0.453 4.773 4.320 0.001 0.000 0.234 216 A C 0.506 178.281 177.584 0.318 0.000 1.253 216 A CA -0.335 51.855 52.037 0.254 0.000 0.894 216 A CB -0.055 19.103 19.000 0.263 0.000 0.963 216 A HN 0.341 nan 8.150 nan 0.000 0.508 217 I N -1.390 119.300 120.570 0.201 0.000 2.894 217 I HA 0.691 4.861 4.170 0.001 0.000 0.302 217 I C -1.192 174.958 176.117 0.055 0.000 1.188 217 I CA -0.968 60.341 61.300 0.016 0.000 1.014 217 I CB 2.185 39.931 38.000 -0.424 0.000 1.242 217 I HN 0.075 nan 8.210 nan 0.000 0.430 218 A N 5.795 128.610 122.820 -0.008 0.000 2.572 218 A HA 0.828 5.148 4.320 0.001 0.000 0.295 218 A C -2.233 175.331 177.584 -0.034 0.000 1.072 218 A CA -0.488 51.535 52.037 -0.023 0.000 0.691 218 A CB 1.912 20.872 19.000 -0.066 0.000 1.291 218 A HN 0.668 nan 8.150 nan 0.000 0.404 219 L N 1.797 123.000 121.223 -0.033 0.000 2.457 219 L HA 0.615 4.955 4.340 0.001 0.000 0.266 219 L C -1.764 175.115 176.870 0.014 0.000 0.979 219 L CA -0.056 54.779 54.840 -0.008 0.000 0.857 219 L CB 1.023 43.085 42.059 0.006 0.000 1.213 219 L HN 0.581 nan 8.230 nan 0.000 0.418 220 L N 4.628 125.861 121.223 0.017 0.000 2.280 220 L HA 0.522 4.863 4.340 0.001 0.000 0.287 220 L C 0.118 177.016 176.870 0.047 0.000 1.023 220 L CA -0.552 54.304 54.840 0.026 0.000 0.819 220 L CB 1.219 43.285 42.059 0.012 0.000 1.212 220 L HN 0.523 nan 8.230 nan 0.000 0.420 221 N N 5.303 124.040 118.700 0.062 0.000 3.245 221 N HA 0.260 5.001 4.740 0.001 0.000 0.296 221 N C -0.534 175.006 175.510 0.050 0.000 1.254 221 N CA 0.095 53.183 53.050 0.063 0.000 1.190 221 N CB 0.332 38.867 38.487 0.080 0.000 1.460 221 N HN 0.487 nan 8.380 nan 0.000 0.538 222 L N 2.065 123.315 121.223 0.045 0.000 2.312 222 L HA 0.435 4.776 4.340 0.001 0.000 0.281 222 L C -1.905 174.992 176.870 0.045 0.000 1.070 222 L CA -1.719 53.146 54.840 0.041 0.000 0.805 222 L CB 1.481 43.563 42.059 0.038 0.000 1.174 222 L HN 0.039 nan 8.230 nan 0.000 0.434 223 P HA 0.156 nan 4.420 nan 0.000 0.288 223 P C 0.542 177.871 177.300 0.048 0.000 1.267 223 P CA -0.018 63.107 63.100 0.043 0.000 0.815 223 P CB 1.696 33.417 31.700 0.034 0.000 0.989 224 G N 4.938 113.773 108.800 0.058 0.000 2.787 224 G HA2 -0.416 3.545 3.960 0.001 0.000 0.374 224 G HA3 -0.416 3.545 3.960 0.001 0.000 0.374 224 G C 1.145 176.082 174.900 0.061 0.000 1.003 224 G CA 1.868 47.008 45.100 0.066 0.000 0.833 224 G HN 0.788 nan 8.290 nan 0.000 0.824 225 K N 0.946 121.374 120.400 0.047 0.000 2.515 225 K HA 0.074 4.394 4.320 0.001 0.000 0.196 225 K C 1.877 178.496 176.600 0.033 0.000 1.038 225 K CA 1.717 58.026 56.287 0.037 0.000 0.967 225 K CB 0.011 32.527 32.500 0.027 0.000 0.780 225 K HN 0.529 nan 8.250 nan 0.000 0.483 226 E N 1.019 121.240 120.200 0.035 0.000 2.208 226 E HA -0.094 4.257 4.350 0.001 0.000 0.193 226 E C 1.924 178.544 176.600 0.033 0.000 0.988 226 E CA 1.059 57.477 56.400 0.030 0.000 0.828 226 E CB 0.001 29.718 29.700 0.029 0.000 0.763 226 E HN 0.550 nan 8.360 nan 0.000 0.478 227 A N 1.277 124.124 122.820 0.045 0.000 2.168 227 A HA -0.145 4.175 4.320 0.001 0.000 0.215 227 A C 1.838 179.450 177.584 0.047 0.000 1.152 227 A CA 0.700 52.768 52.037 0.052 0.000 0.716 227 A CB -0.313 18.732 19.000 0.075 0.000 0.794 227 A HN 0.167 nan 8.150 nan 0.000 0.465 228 E N 0.120 120.343 120.200 0.038 0.000 2.153 228 E HA -0.200 4.150 4.350 0.001 0.000 0.194 228 E C 1.739 178.350 176.600 0.019 0.000 0.988 228 E CA 1.165 57.582 56.400 0.028 0.000 0.811 228 E CB -0.122 29.590 29.700 0.019 0.000 0.746 228 E HN 0.600 nan 8.360 nan 0.000 0.466 229 K N 0.381 120.790 120.400 0.015 0.000 2.103 229 K HA -0.137 4.184 4.320 0.001 0.000 0.207 229 K C 2.056 178.658 176.600 0.002 0.000 1.048 229 K CA 0.988 57.278 56.287 0.005 0.000 0.930 229 K CB -0.030 32.472 32.500 0.004 0.000 0.716 229 K HN 0.164 nan 8.250 nan 0.000 0.444 230 I N 0.138 120.716 120.570 0.012 0.000 2.233 230 I HA -0.231 3.940 4.170 0.001 0.000 0.243 230 I C 2.168 178.292 176.117 0.011 0.000 1.093 230 I CA 0.803 62.109 61.300 0.010 0.000 1.380 230 I CB -0.234 37.780 38.000 0.023 0.000 1.067 230 I HN -0.093 nan 8.210 nan 0.000 0.413 231 V N 1.316 121.248 119.914 0.030 0.000 2.287 231 V HA -0.301 3.820 4.120 0.001 0.000 0.248 231 V C 2.547 178.653 176.094 0.020 0.000 1.053 231 V CA 2.136 64.460 62.300 0.040 0.000 1.027 231 V CB -0.980 30.881 31.823 0.063 0.000 0.646 231 V HN 0.519 nan 8.190 nan 0.000 0.447 232 A N -1.186 121.640 122.820 0.011 0.000 2.206 232 A HA -0.064 4.256 4.320 0.001 0.000 0.211 232 A C 1.188 178.758 177.584 -0.023 0.000 1.158 232 A CA 0.340 52.377 52.037 -0.000 0.000 0.761 232 A CB -0.395 18.604 19.000 -0.001 0.000 0.801 232 A HN 0.549 nan 8.150 nan 0.000 0.473 233 D N 0.109 120.488 120.400 -0.034 0.000 2.350 233 D HA 0.045 4.685 4.640 0.001 0.000 0.249 233 D C -0.376 175.869 176.300 -0.092 0.000 1.119 233 D CA -0.222 53.740 54.000 -0.064 0.000 0.886 233 D CB 0.694 41.454 40.800 -0.066 0.000 1.195 233 D HN 0.113 nan 8.370 nan 0.000 0.437 234 D N 3.022 123.350 120.400 -0.121 0.000 2.350 234 D HA -0.088 4.553 4.640 0.001 0.000 0.216 234 D C 1.395 177.559 176.300 -0.227 0.000 0.968 234 D CA 0.586 54.498 54.000 -0.146 0.000 0.894 234 D CB 0.249 40.966 40.800 -0.138 0.000 0.909 234 D HN 0.344 nan 8.370 nan 0.000 0.520 235 R N -0.297 120.023 120.500 -0.301 0.000 2.297 235 R HA 0.116 4.456 4.340 0.001 0.000 0.197 235 R C 0.294 176.532 176.300 -0.103 0.000 0.943 235 R CA 0.074 55.915 56.100 -0.432 0.000 1.038 235 R CB 0.521 30.463 30.300 -0.597 0.000 0.957 235 R HN -0.077 nan 8.270 nan 0.000 0.484 236 V N 1.222 121.086 119.914 -0.084 0.000 2.334 236 V HA 0.264 4.384 4.120 0.001 0.000 0.267 236 V C 0.824 176.879 176.094 -0.065 0.000 1.040 236 V CA -0.167 62.109 62.300 -0.041 0.000 0.866 236 V CB 1.061 32.861 31.823 -0.039 0.000 1.019 236 V HN 0.249 nan 8.190 nan 0.000 0.468 237 A N 4.197 126.990 122.820 -0.044 0.000 2.178 237 A HA 0.714 5.034 4.320 0.001 0.000 0.211 237 A C 1.007 178.502 177.584 -0.148 0.000 1.157 237 A CA 0.895 52.886 52.037 -0.076 0.000 0.780 237 A CB 0.157 19.137 19.000 -0.032 0.000 0.828 237 A HN 1.118 nan 8.150 nan 0.000 0.476 238 A N -1.541 121.192 122.820 -0.146 0.000 2.604 238 A HA 0.604 4.925 4.320 0.001 0.000 0.295 238 A C -1.477 176.016 177.584 -0.152 0.000 1.067 238 A CA -0.353 51.558 52.037 -0.209 0.000 0.683 238 A CB 1.135 20.058 19.000 -0.127 0.000 1.281 238 A HN 0.487 nan 8.150 nan 0.000 0.407 239 V N 1.161 120.967 119.914 -0.181 0.000 2.569 239 V HA 0.619 4.739 4.120 0.001 0.000 0.301 239 V C 0.002 176.175 176.094 0.131 0.000 1.044 239 V CA -0.390 61.919 62.300 0.015 0.000 0.874 239 V CB 1.747 33.629 31.823 0.099 0.000 1.002 239 V HN 1.006 nan 8.190 nan 0.000 0.424 240 S N 5.700 121.499 115.700 0.165 0.000 2.461 240 S HA 0.678 5.149 4.470 0.001 0.000 0.322 240 S C -1.120 173.631 174.600 0.253 0.000 1.063 240 S CA -0.351 57.979 58.200 0.217 0.000 1.120 240 S CB 0.127 63.462 63.200 0.224 0.000 0.968 240 S HN 0.554 nan 8.310 nan 0.000 0.467 241 F N 4.071 124.092 119.950 0.118 0.000 2.507 241 F HA 0.642 5.169 4.527 0.001 0.000 0.325 241 F C -0.402 175.457 175.800 0.098 0.000 1.116 241 F CA -0.220 57.839 58.000 0.099 0.000 0.930 241 F CB 2.116 41.172 39.000 0.095 0.000 1.146 241 F HN 0.400 nan 8.300 nan 0.000 0.447 242 T N 4.576 118.829 114.554 -0.502 0.000 2.890 242 T HA 0.758 5.109 4.350 0.001 0.000 0.295 242 T C -0.230 174.010 174.700 -0.767 0.000 0.993 242 T CA -0.457 61.459 62.100 -0.307 0.000 0.979 242 T CB 1.120 69.936 68.868 -0.087 0.000 0.967 242 T HN 1.050 nan 8.240 nan 0.000 0.441 243 G N 1.685 110.217 108.800 -0.446 0.000 2.428 243 G HA2 0.569 4.529 3.960 0.001 0.000 0.305 243 G HA3 0.569 4.529 3.960 0.001 0.000 0.305 243 G C -0.733 174.248 174.900 0.135 0.000 1.260 243 G CA -0.469 44.473 45.100 -0.263 0.000 0.853 243 G HN 0.829 nan 8.290 nan 0.000 0.480 244 S N -0.811 114.999 115.700 0.184 0.000 2.617 244 S HA 0.456 4.926 4.470 0.001 0.000 0.269 244 S C 1.333 176.042 174.600 0.182 0.000 1.292 244 S CA 0.816 59.080 58.200 0.107 0.000 1.010 244 S CB 1.366 64.597 63.200 0.053 0.000 0.944 244 S HN 0.678 nan 8.310 nan 0.000 0.536 245 T N 1.138 115.774 114.554 0.137 0.000 2.665 245 T HA -0.178 4.173 4.350 0.001 0.000 0.268 245 T C 1.628 176.362 174.700 0.058 0.000 1.035 245 T CA 1.997 64.174 62.100 0.127 0.000 1.151 245 T CB -0.562 68.419 68.868 0.189 0.000 0.862 245 T HN 0.858 nan 8.240 nan 0.000 0.438 246 E N 0.169 120.406 120.200 0.062 0.000 2.077 246 E HA -0.121 4.230 4.350 0.001 0.000 0.193 246 E C 2.176 178.771 176.600 -0.008 0.000 0.989 246 E CA 1.013 57.428 56.400 0.025 0.000 0.800 246 E CB -0.019 29.705 29.700 0.040 0.000 0.746 246 E HN 0.281 nan 8.360 nan 0.000 0.452 247 V N 0.414 120.346 119.914 0.030 0.000 2.453 247 V HA -0.124 3.996 4.120 0.001 0.000 0.247 247 V C 2.364 178.282 176.094 -0.294 0.000 1.048 247 V CA 1.640 63.933 62.300 -0.010 0.000 1.049 247 V CB -0.755 31.192 31.823 0.206 0.000 0.672 247 V HN 0.483 nan 8.190 nan 0.000 0.457 248 G N -0.077 108.488 108.800 -0.391 0.000 2.446 248 G HA2 -0.346 3.615 3.960 0.001 0.000 0.217 248 G HA3 -0.346 3.615 3.960 0.001 0.000 0.217 248 G C 1.480 176.123 174.900 -0.429 0.000 1.168 248 G CA 1.228 45.902 45.100 -0.709 0.000 0.771 248 G HN 0.525 nan 8.290 nan 0.000 0.551 249 E N 0.395 120.454 120.200 -0.234 0.000 2.058 249 E HA -0.172 4.179 4.350 0.001 0.000 0.194 249 E C 2.481 178.970 176.600 -0.186 0.000 0.997 249 E CA 1.390 57.681 56.400 -0.181 0.000 0.801 249 E CB -0.228 29.411 29.700 -0.101 0.000 0.746 249 E HN 0.307 nan 8.360 nan 0.000 0.450 250 R N -0.160 120.244 120.500 -0.160 0.000 2.096 250 R HA -0.074 4.267 4.340 0.001 0.000 0.235 250 R C 2.145 178.355 176.300 -0.151 0.000 1.127 250 R CA 1.566 57.593 56.100 -0.122 0.000 0.968 250 R CB -0.864 29.388 30.300 -0.079 0.000 0.861 250 R HN 0.185 nan 8.270 nan 0.000 0.440 251 V N -0.278 119.488 119.914 -0.247 0.000 2.287 251 V HA -0.234 3.886 4.120 0.001 0.000 0.248 251 V C 2.290 178.272 176.094 -0.187 0.000 1.053 251 V CA 1.912 64.077 62.300 -0.225 0.000 1.027 251 V CB -0.391 31.181 31.823 -0.418 0.000 0.646 251 V HN 0.212 nan 8.190 nan 0.000 0.447 252 V N -0.389 119.315 119.914 -0.349 0.000 2.427 252 V HA -0.236 3.885 4.120 0.001 0.000 0.248 252 V C 2.346 178.338 176.094 -0.169 0.000 1.051 252 V CA 1.809 63.848 62.300 -0.435 0.000 1.048 252 V CB -0.737 30.725 31.823 -0.602 0.000 0.666 252 V HN 0.534 nan 8.190 nan 0.000 0.456 253 K N -0.404 119.914 120.400 -0.137 0.000 2.283 253 K HA -0.065 4.255 4.320 0.001 0.000 0.202 253 K C 1.950 178.529 176.600 -0.036 0.000 1.048 253 K CA 0.960 57.203 56.287 -0.074 0.000 0.948 253 K CB -0.085 32.374 32.500 -0.070 0.000 0.742 253 K HN 0.353 nan 8.250 nan 0.000 0.458 254 V N -0.062 119.834 119.914 -0.030 0.000 2.575 254 V HA -0.035 4.085 4.120 0.001 0.000 0.242 254 V C 2.212 178.320 176.094 0.024 0.000 1.045 254 V CA 1.814 64.111 62.300 -0.005 0.000 1.065 254 V CB 0.038 31.858 31.823 -0.006 0.000 0.717 254 V HN 0.404 nan 8.190 nan 0.000 0.467 255 G N -0.713 108.127 108.800 0.066 0.000 2.421 255 G HA2 0.302 4.262 3.960 0.001 0.000 0.217 255 G HA3 0.302 4.262 3.960 0.001 0.000 0.217 255 G C 1.048 176.019 174.900 0.118 0.000 1.143 255 G CA 1.058 46.233 45.100 0.124 0.000 0.784 255 G HN 0.912 nan 8.290 nan 0.000 0.541 256 G N -0.944 107.927 108.800 0.119 0.000 2.539 256 G HA2 -0.213 3.748 3.960 0.001 0.000 0.256 256 G HA3 -0.213 3.748 3.960 0.001 0.000 0.256 256 G C 0.035 175.022 174.900 0.145 0.000 1.233 256 G CA -0.098 45.055 45.100 0.088 0.000 0.936 256 G HN 0.885 nan 8.290 nan 0.000 0.571 257 V N 2.060 122.018 119.914 0.074 0.000 2.450 257 V HA 0.517 4.638 4.120 0.001 0.000 0.281 257 V C 0.684 176.767 176.094 -0.018 0.000 1.019 257 V CA 1.439 63.773 62.300 0.056 0.000 1.062 257 V CB 0.210 32.047 31.823 0.022 0.000 0.979 257 V HN 0.855 nan 8.190 nan 0.000 0.477 258 K N 3.295 123.641 120.400 -0.091 0.000 2.735 258 K HA 0.351 4.672 4.320 0.001 0.000 0.295 258 K C -1.401 174.935 176.600 -0.441 0.000 1.052 258 K CA -1.028 55.070 56.287 -0.314 0.000 0.853 258 K CB 1.639 33.812 32.500 -0.544 0.000 1.535 258 K HN 0.527 nan 8.250 nan 0.000 0.383 259 Q N 0.852 120.383 119.800 -0.448 0.000 2.259 259 Q HA 0.370 4.711 4.340 0.001 0.000 0.249 259 Q C -1.129 174.506 176.000 -0.607 0.000 0.914 259 Q CA -0.069 55.486 55.803 -0.413 0.000 0.904 259 Q CB 0.714 29.282 28.738 -0.284 0.000 1.213 259 Q HN 0.372 nan 8.270 nan 0.000 0.428 260 Y N -0.655 119.417 120.300 -0.380 0.000 2.553 260 Y HA 0.482 5.033 4.550 0.001 0.000 0.347 260 Y C -0.596 175.060 175.900 -0.407 0.000 1.019 260 Y CA -1.019 56.907 58.100 -0.291 0.000 1.032 260 Y CB 2.017 40.352 38.460 -0.209 0.000 1.284 260 Y HN 0.267 nan 8.280 nan 0.000 0.466 261 V N 2.809 122.755 119.914 0.053 0.000 2.524 261 V HA 0.502 4.622 4.120 0.001 0.000 0.297 261 V C -0.785 175.427 176.094 0.196 0.000 1.035 261 V CA -0.937 61.422 62.300 0.098 0.000 0.867 261 V CB 1.450 33.348 31.823 0.126 0.000 1.004 261 V HN 0.626 nan 8.190 nan 0.000 0.426 262 M N 3.665 123.380 119.600 0.192 0.000 2.085 262 M HA 0.519 5.000 4.480 0.001 0.000 0.309 262 M C -0.538 175.895 176.300 0.223 0.000 0.947 262 M CA -0.378 55.062 55.300 0.234 0.000 0.918 262 M CB 1.757 34.430 32.600 0.123 0.000 1.504 262 M HN 0.574 nan 8.290 nan 0.000 0.420 263 E N 4.613 124.961 120.200 0.247 0.000 2.035 263 E HA 0.326 4.677 4.350 0.001 0.000 0.271 263 E C 0.272 177.005 176.600 0.222 0.000 0.953 263 E CA -0.158 56.370 56.400 0.213 0.000 0.777 263 E CB 1.382 31.211 29.700 0.215 0.000 1.104 263 E HN 0.681 nan 8.360 nan 0.000 0.408 264 L N 1.632 122.979 121.223 0.207 0.000 2.700 264 L HA 0.185 4.525 4.340 0.001 0.000 0.234 264 L C 1.322 178.255 176.870 0.105 0.000 1.156 264 L CA -0.086 54.866 54.840 0.187 0.000 0.946 264 L CB -0.269 41.907 42.059 0.193 0.000 1.216 264 L HN 0.680 nan 8.230 nan 0.000 0.493 265 G N 1.156 110.017 108.800 0.102 0.000 2.634 265 G HA2 -0.097 3.863 3.960 0.001 0.000 0.309 265 G HA3 -0.097 3.863 3.960 0.001 0.000 0.309 265 G C 0.525 175.353 174.900 -0.119 0.000 1.265 265 G CA 0.147 45.263 45.100 0.027 0.000 0.998 265 G HN 0.988 nan 8.290 nan 0.000 0.551 266 G N -2.631 105.950 108.800 -0.365 0.000 2.655 266 G HA2 0.524 4.484 3.960 0.001 0.000 0.680 266 G HA3 0.524 4.484 3.960 0.001 0.000 0.680 266 G C 0.706 175.370 174.900 -0.393 0.000 1.302 266 G CA 0.550 45.042 45.100 -1.014 0.000 0.872 266 G HN 2.418 nan 8.290 nan 0.000 0.540 267 G N -1.139 107.479 108.800 -0.302 0.000 2.531 267 G HA2 0.611 4.572 3.960 0.001 0.000 0.281 267 G HA3 0.611 4.572 3.960 0.001 0.000 0.281 267 G C -1.137 173.765 174.900 0.004 0.000 1.382 267 G CA 0.286 45.347 45.100 -0.065 0.000 1.045 267 G HN 0.743 nan 8.290 nan 0.000 0.533 268 D N -0.127 120.287 120.400 0.022 0.000 2.738 268 D HA 0.505 5.145 4.640 0.001 0.000 0.237 268 D C -2.474 173.863 176.300 0.062 0.000 1.123 268 D CA -0.801 53.227 54.000 0.047 0.000 0.856 268 D CB 2.893 43.707 40.800 0.023 0.000 1.552 268 D HN 0.109 nan 8.370 nan 0.000 0.480 269 P HA 0.588 nan 4.420 nan 0.000 0.290 269 P C -1.616 175.754 177.300 0.117 0.000 1.283 269 P CA -0.691 62.472 63.100 0.105 0.000 0.869 269 P CB 1.853 33.616 31.700 0.106 0.000 1.100 270 A N 3.262 126.172 122.820 0.150 0.000 2.343 270 A HA 0.719 5.040 4.320 0.001 0.000 0.316 270 A C -0.527 177.185 177.584 0.213 0.000 1.104 270 A CA -0.851 51.303 52.037 0.195 0.000 0.768 270 A CB 0.699 19.851 19.000 0.253 0.000 1.213 270 A HN 0.454 nan 8.150 nan 0.000 0.456 271 I N 2.389 123.088 120.570 0.215 0.000 2.404 271 I HA 0.417 4.587 4.170 0.001 0.000 0.293 271 I C -0.845 175.428 176.117 0.260 0.000 0.992 271 I CA -0.890 60.527 61.300 0.196 0.000 1.149 271 I CB 2.094 40.172 38.000 0.130 0.000 1.315 271 I HN 0.315 nan 8.210 nan 0.000 0.446 272 V N 7.111 127.159 119.914 0.223 0.000 2.378 272 V HA 0.406 4.526 4.120 0.001 0.000 0.288 272 V C 0.199 176.385 176.094 0.154 0.000 1.016 272 V CA -0.590 61.839 62.300 0.214 0.000 0.840 272 V CB 1.343 33.247 31.823 0.135 0.000 0.994 272 V HN 0.500 nan 8.190 nan 0.000 0.431 273 L N 3.626 124.936 121.223 0.145 0.000 2.421 273 L HA 0.359 4.700 4.340 0.001 0.000 0.263 273 L C 1.826 178.748 176.870 0.087 0.000 1.122 273 L CA -0.430 54.471 54.840 0.103 0.000 0.804 273 L CB 0.848 42.959 42.059 0.087 0.000 1.150 273 L HN 0.844 nan 8.230 nan 0.000 0.457 274 E N 0.379 120.621 120.200 0.070 0.000 2.331 274 E HA -0.237 4.113 4.350 0.001 0.000 0.199 274 E C 0.261 176.891 176.600 0.051 0.000 1.008 274 E CA 1.418 57.853 56.400 0.058 0.000 0.843 274 E CB -0.175 29.554 29.700 0.048 0.000 0.761 274 E HN 0.774 nan 8.360 nan 0.000 0.507 275 D N 0.759 121.192 120.400 0.055 0.000 2.424 275 D HA 0.227 4.867 4.640 0.001 0.000 0.220 275 D C 0.185 176.521 176.300 0.060 0.000 1.150 275 D CA -0.234 53.795 54.000 0.049 0.000 0.831 275 D CB 0.199 41.024 40.800 0.041 0.000 0.981 275 D HN 0.275 nan 8.370 nan 0.000 0.500 276 A N 0.378 123.243 122.820 0.076 0.000 2.332 276 A HA 0.265 4.586 4.320 0.001 0.000 0.258 276 A C 0.208 177.828 177.584 0.060 0.000 1.087 276 A CA -0.474 51.623 52.037 0.101 0.000 0.802 276 A CB 0.364 19.451 19.000 0.147 0.000 1.042 276 A HN 0.161 nan 8.150 nan 0.000 0.489 277 D N 1.926 122.365 120.400 0.066 0.000 2.344 277 D HA 0.158 4.799 4.640 0.001 0.000 0.253 277 D C 0.955 177.241 176.300 -0.023 0.000 1.255 277 D CA -0.032 53.984 54.000 0.027 0.000 0.894 277 D CB 0.348 41.173 40.800 0.041 0.000 1.067 277 D HN 0.454 nan 8.370 nan 0.000 0.492 278 L N 2.909 124.111 121.223 -0.036 0.000 2.201 278 L HA -0.131 4.210 4.340 0.001 0.000 0.212 278 L C 1.717 178.524 176.870 -0.106 0.000 1.105 278 L CA 0.658 55.450 54.840 -0.079 0.000 0.775 278 L CB -0.151 41.877 42.059 -0.051 0.000 0.913 278 L HN 0.350 nan 8.230 nan 0.000 0.440 279 D N 0.355 120.712 120.400 -0.071 0.000 2.097 279 D HA -0.169 4.472 4.640 0.001 0.000 0.197 279 D C 2.127 178.369 176.300 -0.096 0.000 0.984 279 D CA 1.073 55.031 54.000 -0.071 0.000 0.826 279 D CB -0.129 40.647 40.800 -0.040 0.000 0.973 279 D HN 0.172 nan 8.370 nan 0.000 0.460 280 L N 1.356 122.531 121.223 -0.080 0.000 2.012 280 L HA -0.145 4.195 4.340 0.001 0.000 0.210 280 L C 2.215 178.943 176.870 -0.237 0.000 1.073 280 L CA 2.120 56.914 54.840 -0.077 0.000 0.748 280 L CB -0.853 41.216 42.059 0.016 0.000 0.891 280 L HN -0.027 nan 8.230 nan 0.000 0.431 281 A N -0.305 122.259 122.820 -0.428 0.000 1.865 281 A HA -0.158 4.162 4.320 0.001 0.000 0.217 281 A C 2.481 179.704 177.584 -0.603 0.000 1.191 281 A CA 2.328 53.782 52.037 -0.973 0.000 0.623 281 A CB -1.409 17.104 19.000 -0.813 0.000 0.826 281 A HN 0.645 nan 8.150 nan 0.000 0.444 282 A N -0.127 122.492 122.820 -0.335 0.000 1.883 282 A HA -0.218 4.102 4.320 0.001 0.000 0.217 282 A C 1.868 179.336 177.584 -0.194 0.000 1.186 282 A CA 2.333 54.232 52.037 -0.229 0.000 0.624 282 A CB -0.766 18.143 19.000 -0.150 0.000 0.822 282 A HN 0.590 nan 8.150 nan 0.000 0.444 283 D N -0.472 119.832 120.400 -0.160 0.000 2.078 283 D HA -0.171 4.470 4.640 0.001 0.000 0.193 283 D C 1.883 178.117 176.300 -0.110 0.000 0.990 283 D CA 1.632 55.570 54.000 -0.102 0.000 0.827 283 D CB -0.071 40.687 40.800 -0.070 0.000 0.975 283 D HN 0.180 nan 8.370 nan 0.000 0.451 284 K N 0.180 120.504 120.400 -0.127 0.000 2.057 284 K HA -0.076 4.245 4.320 0.001 0.000 0.207 284 K C 2.461 179.004 176.600 -0.094 0.000 1.049 284 K CA 0.683 56.931 56.287 -0.065 0.000 0.931 284 K CB -0.589 31.969 32.500 0.096 0.000 0.714 284 K HN 0.394 nan 8.250 nan 0.000 0.440 285 I N 0.987 121.455 120.570 -0.170 0.000 2.252 285 I HA -0.247 3.924 4.170 0.001 0.000 0.245 285 I C 2.459 178.468 176.117 -0.181 0.000 1.102 285 I CA 1.018 62.233 61.300 -0.142 0.000 1.385 285 I CB -0.401 37.491 38.000 -0.179 0.000 1.064 285 I HN 0.047 nan 8.210 nan 0.000 0.414 286 A N 1.211 123.921 122.820 -0.183 0.000 1.865 286 A HA -0.238 4.083 4.320 0.001 0.000 0.217 286 A C 2.395 179.890 177.584 -0.148 0.000 1.191 286 A CA 1.707 53.669 52.037 -0.125 0.000 0.623 286 A CB -0.654 18.325 19.000 -0.036 0.000 0.826 286 A HN 0.326 nan 8.150 nan 0.000 0.444 287 R N -0.994 119.356 120.500 -0.251 0.000 2.083 287 R HA -0.124 4.216 4.340 0.001 0.000 0.237 287 R C 2.389 178.358 176.300 -0.551 0.000 1.137 287 R CA 1.235 56.970 56.100 -0.608 0.000 0.951 287 R CB -0.818 29.270 30.300 -0.354 0.000 0.851 287 R HN 0.536 nan 8.270 nan 0.000 0.434 288 G N 1.285 109.902 108.800 -0.304 0.000 2.450 288 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 288 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 288 G C 1.461 176.228 174.900 -0.222 0.000 1.130 288 G CA 0.614 45.571 45.100 -0.239 0.000 0.760 288 G HN 0.183 nan 8.290 nan 0.000 0.557 289 I N -0.425 120.023 120.570 -0.204 0.000 2.286 289 I HA -0.080 4.091 4.170 0.001 0.000 0.245 289 I C 2.449 178.509 176.117 -0.095 0.000 1.104 289 I CA 1.283 62.505 61.300 -0.131 0.000 1.397 289 I CB -0.150 37.770 38.000 -0.134 0.000 1.072 289 I HN 0.453 nan 8.210 nan 0.000 0.417 290 Y N -0.291 119.934 120.300 -0.124 0.000 2.481 290 Y HA 0.363 4.913 4.550 0.001 0.000 0.258 290 Y C 1.244 177.085 175.900 -0.099 0.000 1.103 290 Y CA -0.920 57.112 58.100 -0.113 0.000 1.287 290 Y CB -0.992 37.408 38.460 -0.099 0.000 1.108 290 Y HN -0.187 nan 8.280 nan 0.000 0.529 291 S N 2.740 118.148 115.700 -0.488 0.000 2.702 291 S HA -0.193 4.277 4.470 0.001 0.000 0.314 291 S C -0.310 174.281 174.600 -0.014 0.000 1.244 291 S CA 0.826 58.882 58.200 -0.241 0.000 1.058 291 S CB -0.714 62.322 63.200 -0.272 0.000 0.783 291 S HN 0.616 nan 8.310 nan 0.000 0.503 292 Y N 1.508 121.760 120.300 -0.080 0.000 3.491 292 Y HA -0.378 4.173 4.550 0.001 0.000 0.215 292 Y C 0.821 176.656 175.900 -0.109 0.000 1.219 292 Y CA 1.103 59.144 58.100 -0.099 0.000 1.485 292 Y CB -2.018 36.346 38.460 -0.161 0.000 1.450 292 Y HN 1.331 nan 8.280 nan 0.000 0.603 293 A N -0.816 121.944 122.820 -0.100 0.000 2.739 293 A HA 0.127 4.447 4.320 0.001 0.000 0.296 293 A C 2.494 179.899 177.584 -0.299 0.000 1.488 293 A CA 1.732 53.655 52.037 -0.190 0.000 0.746 293 A CB -1.897 16.931 19.000 -0.287 0.000 1.047 293 A HN 2.580 nan 8.150 nan 0.000 0.477 294 G N -1.743 106.909 108.800 -0.247 0.000 2.200 294 G HA2 -0.359 3.601 3.960 0.001 0.000 0.267 294 G HA3 -0.359 3.601 3.960 0.001 0.000 0.267 294 G C 0.283 174.802 174.900 -0.635 0.000 0.993 294 G CA 1.111 46.016 45.100 -0.325 0.000 0.701 294 G HN 1.385 nan 8.290 nan 0.000 0.524 295 Q N -0.111 119.234 119.800 -0.759 0.000 2.938 295 Q HA 0.326 4.667 4.340 0.001 0.000 0.343 295 Q C 0.697 176.400 176.000 -0.495 0.000 1.185 295 Q CA 0.104 55.182 55.803 -1.207 0.000 0.939 295 Q CB 0.199 28.407 28.738 -0.884 0.000 1.480 295 Q HN 0.495 nan 8.270 nan 0.000 0.442 296 R N -0.436 119.879 120.500 -0.309 0.000 2.561 296 R HA 0.164 4.505 4.340 0.001 0.000 0.297 296 R C 1.059 177.493 176.300 0.224 0.000 0.969 296 R CA -0.440 55.729 56.100 0.115 0.000 0.879 296 R CB 0.971 31.285 30.300 0.024 0.000 1.178 296 R HN 0.493 nan 8.270 nan 0.000 0.445 297 C N -0.008 119.460 119.300 0.281 0.000 2.396 297 C HA -0.142 4.318 4.460 0.001 0.000 0.277 297 C C 1.274 176.315 174.990 0.085 0.000 1.231 297 C CA 1.314 60.451 59.018 0.197 0.000 1.775 297 C CB -0.743 27.096 27.740 0.165 0.000 2.036 297 C HN 0.865 nan 8.230 nan 0.000 0.484 298 D N 1.442 121.814 120.400 -0.047 0.000 2.491 298 D HA 0.447 5.088 4.640 0.001 0.000 0.228 298 D C 0.465 176.680 176.300 -0.141 0.000 1.183 298 D CA 0.183 54.098 54.000 -0.141 0.000 0.827 298 D CB -0.477 40.074 40.800 -0.416 0.000 0.989 298 D HN 0.763 nan 8.370 nan 0.000 0.494 299 A N 0.747 123.516 122.820 -0.085 0.000 2.477 299 A HA 0.304 4.625 4.320 0.001 0.000 0.246 299 A C 0.544 178.087 177.584 -0.069 0.000 1.078 299 A CA -0.438 51.534 52.037 -0.108 0.000 0.770 299 A CB 0.008 18.930 19.000 -0.131 0.000 1.011 299 A HN 0.402 nan 8.150 nan 0.000 0.494 300 I N 2.808 123.335 120.570 -0.072 0.000 2.598 300 I HA 0.043 4.213 4.170 0.001 0.000 0.284 300 I C 0.901 177.028 176.117 0.016 0.000 1.140 300 I CA 0.310 61.600 61.300 -0.017 0.000 1.420 300 I CB 0.686 38.675 38.000 -0.018 0.000 1.387 300 I HN 0.752 nan 8.210 nan 0.000 0.553 301 K N 5.967 126.401 120.400 0.056 0.000 2.440 301 K HA 0.322 4.643 4.320 0.001 0.000 0.207 301 K C -0.592 176.094 176.600 0.143 0.000 1.112 301 K CA -0.117 56.223 56.287 0.087 0.000 1.036 301 K CB 1.109 33.647 32.500 0.064 0.000 0.935 301 K HN 0.391 nan 8.250 nan 0.000 0.564 302 L N 0.602 121.919 121.223 0.156 0.000 2.526 302 L HA 0.369 4.710 4.340 0.001 0.000 0.263 302 L C -1.798 175.199 176.870 0.213 0.000 0.943 302 L CA -0.728 54.231 54.840 0.200 0.000 0.859 302 L CB 2.275 44.446 42.059 0.186 0.000 1.313 302 L HN -0.234 nan 8.230 nan 0.000 0.406 303 V N 6.027 126.097 119.914 0.260 0.000 2.448 303 V HA 0.576 4.696 4.120 0.001 0.000 0.295 303 V C -0.446 175.794 176.094 0.243 0.000 1.025 303 V CA -0.424 62.034 62.300 0.262 0.000 0.859 303 V CB 1.646 33.688 31.823 0.365 0.000 0.988 303 V HN 0.639 nan 8.190 nan 0.000 0.431 304 L N 4.588 125.941 121.223 0.217 0.000 2.349 304 L HA 0.905 5.246 4.340 0.001 0.000 0.278 304 L C -0.039 176.956 176.870 0.208 0.000 0.996 304 L CA -0.443 54.517 54.840 0.201 0.000 0.825 304 L CB 1.839 43.994 42.059 0.159 0.000 1.243 304 L HN 0.726 nan 8.230 nan 0.000 0.412 305 A N 2.764 125.741 122.820 0.261 0.000 2.393 305 A HA 0.601 4.921 4.320 0.001 0.000 0.306 305 A C -0.567 177.145 177.584 0.213 0.000 1.050 305 A CA -0.641 51.540 52.037 0.241 0.000 0.724 305 A CB 1.044 20.195 19.000 0.252 0.000 1.248 305 A HN 0.705 nan 8.150 nan 0.000 0.424 306 E N 1.773 122.059 120.200 0.143 0.000 2.413 306 E HA 0.033 4.383 4.350 0.001 0.000 0.263 306 E C 0.568 177.235 176.600 0.112 0.000 1.015 306 E CA -0.488 55.971 56.400 0.099 0.000 0.916 306 E CB 0.718 30.465 29.700 0.078 0.000 0.947 306 E HN 0.565 nan 8.360 nan 0.000 0.440 307 R N 2.669 123.208 120.500 0.065 0.000 2.227 307 R HA -0.216 4.124 4.340 0.001 0.000 0.246 307 R C -0.584 175.771 176.300 0.092 0.000 1.119 307 R CA 1.959 58.093 56.100 0.058 0.000 0.930 307 R CB -2.181 28.131 30.300 0.021 0.000 0.912 307 R HN 0.583 nan 8.270 nan 0.000 0.435 308 P HA -0.055 nan 4.420 nan 0.000 0.234 308 P C 1.060 178.401 177.300 0.069 0.000 1.162 308 P CA 1.465 64.602 63.100 0.063 0.000 0.759 308 P CB 0.007 31.734 31.700 0.045 0.000 0.813 309 V N -7.137 112.834 119.914 0.094 0.000 3.392 309 V HA 0.159 4.279 4.120 0.001 0.000 0.285 309 V C 2.201 178.344 176.094 0.082 0.000 1.582 309 V CA -0.355 61.987 62.300 0.070 0.000 1.034 309 V CB -1.180 30.675 31.823 0.054 0.000 0.846 309 V HN -0.154 nan 8.190 nan 0.000 0.431 310 Y N 3.331 123.645 120.300 0.023 0.000 2.151 310 Y HA -0.010 4.540 4.550 0.001 0.000 0.284 310 Y C 2.248 178.163 175.900 0.024 0.000 1.166 310 Y CA 2.482 60.597 58.100 0.026 0.000 1.163 310 Y CB -0.600 37.871 38.460 0.017 0.000 0.974 310 Y HN 0.299 nan 8.280 nan 0.000 0.511 311 G N 0.641 109.483 108.800 0.071 0.000 2.511 311 G HA2 -0.256 3.704 3.960 0.001 0.000 0.216 311 G HA3 -0.256 3.704 3.960 0.001 0.000 0.216 311 G C 1.682 176.533 174.900 -0.082 0.000 1.218 311 G CA 1.104 46.200 45.100 -0.006 0.000 0.788 311 G HN 0.225 nan 8.290 nan 0.000 0.560 312 K N 0.388 120.764 120.400 -0.040 0.000 2.001 312 K HA -0.047 4.274 4.320 0.001 0.000 0.214 312 K C 2.366 178.922 176.600 -0.074 0.000 1.050 312 K CA 0.657 56.918 56.287 -0.044 0.000 0.934 312 K CB -1.222 31.264 32.500 -0.024 0.000 0.718 312 K HN 0.268 nan 8.250 nan 0.000 0.443 313 L N 1.452 122.619 121.223 -0.092 0.000 1.963 313 L HA -0.210 4.130 4.340 0.001 0.000 0.220 313 L C 2.320 179.128 176.870 -0.104 0.000 1.076 313 L CA 1.801 56.578 54.840 -0.105 0.000 0.772 313 L CB -0.908 41.093 42.059 -0.097 0.000 0.892 313 L HN -0.055 nan 8.230 nan 0.000 0.435 314 V N 0.281 120.073 119.914 -0.203 0.000 2.392 314 V HA -0.309 3.811 4.120 0.001 0.000 0.249 314 V C 2.660 178.763 176.094 0.014 0.000 1.059 314 V CA 1.982 64.222 62.300 -0.101 0.000 1.051 314 V CB -0.566 30.945 31.823 -0.520 0.000 0.658 314 V HN 0.560 nan 8.190 nan 0.000 0.455 315 E N -0.151 120.015 120.200 -0.057 0.000 2.017 315 E HA -0.250 4.100 4.350 0.001 0.000 0.193 315 E C 2.303 178.898 176.600 -0.009 0.000 0.997 315 E CA 1.483 57.871 56.400 -0.020 0.000 0.804 315 E CB -0.083 29.598 29.700 -0.032 0.000 0.757 315 E HN 0.534 nan 8.360 nan 0.000 0.448 316 E N 0.237 120.418 120.200 -0.033 0.000 2.058 316 E HA -0.175 4.175 4.350 0.001 0.000 0.194 316 E C 2.304 178.869 176.600 -0.058 0.000 0.997 316 E CA 1.147 57.520 56.400 -0.045 0.000 0.801 316 E CB -0.391 29.271 29.700 -0.063 0.000 0.746 316 E HN 0.214 nan 8.360 nan 0.000 0.450 317 V N 1.499 121.368 119.914 -0.075 0.000 2.392 317 V HA -0.270 3.850 4.120 0.001 0.000 0.249 317 V C 2.416 178.427 176.094 -0.138 0.000 1.059 317 V CA 1.835 64.035 62.300 -0.166 0.000 1.051 317 V CB -0.831 30.800 31.823 -0.320 0.000 0.658 317 V HN 0.262 nan 8.190 nan 0.000 0.455 318 A N 0.164 122.992 122.820 0.012 0.000 1.898 318 A HA -0.151 4.169 4.320 0.001 0.000 0.216 318 A C 2.485 180.074 177.584 0.008 0.000 1.181 318 A CA 2.353 54.436 52.037 0.077 0.000 0.620 318 A CB -0.688 18.409 19.000 0.163 0.000 0.819 318 A HN 0.515 nan 8.150 nan 0.000 0.442 319 K N 0.297 120.693 120.400 -0.007 0.000 2.009 319 K HA -0.168 4.152 4.320 0.001 0.000 0.210 319 K C 2.168 178.745 176.600 -0.039 0.000 1.049 319 K CA 1.746 58.021 56.287 -0.020 0.000 0.929 319 K CB -0.778 31.709 32.500 -0.022 0.000 0.714 319 K HN 0.633 nan 8.250 nan 0.000 0.440 320 R N -0.158 120.311 120.500 -0.052 0.000 2.091 320 R HA 0.026 4.366 4.340 0.001 0.000 0.238 320 R C 2.587 178.835 176.300 -0.086 0.000 1.136 320 R CA 1.577 57.641 56.100 -0.060 0.000 0.959 320 R CB -0.611 29.658 30.300 -0.052 0.000 0.856 320 R HN 0.410 nan 8.270 nan 0.000 0.437 321 L N 0.410 121.579 121.223 -0.089 0.000 2.027 321 L HA -0.155 4.185 4.340 0.001 0.000 0.206 321 L C 2.671 179.479 176.870 -0.103 0.000 1.074 321 L CA 1.549 56.324 54.840 -0.108 0.000 0.745 321 L CB -0.547 41.456 42.059 -0.093 0.000 0.898 321 L HN 0.285 nan 8.230 nan 0.000 0.433 322 S N -0.908 114.757 115.700 -0.058 0.000 2.423 322 S HA -0.132 4.339 4.470 0.001 0.000 0.231 322 S C 1.781 176.343 174.600 -0.063 0.000 1.014 322 S CA 0.852 59.025 58.200 -0.046 0.000 0.965 322 S CB -0.572 62.618 63.200 -0.017 0.000 0.785 322 S HN 0.467 nan 8.310 nan 0.000 0.495 323 S N 0.760 116.416 115.700 -0.073 0.000 2.840 323 S HA 0.360 4.831 4.470 0.001 0.000 0.235 323 S C -0.095 174.441 174.600 -0.107 0.000 0.968 323 S CA -0.678 57.478 58.200 -0.073 0.000 1.026 323 S CB -0.704 62.460 63.200 -0.059 0.000 0.788 323 S HN 0.265 nan 8.310 nan 0.000 0.487 324 L N 2.130 123.266 121.223 -0.144 0.000 2.295 324 L HA 0.484 4.825 4.340 0.001 0.000 0.285 324 L C 0.445 177.232 176.870 -0.138 0.000 1.035 324 L CA -0.361 54.355 54.840 -0.205 0.000 0.806 324 L CB 1.323 43.173 42.059 -0.349 0.000 1.214 324 L HN 0.263 nan 8.230 nan 0.000 0.426 325 R N 2.735 123.165 120.500 -0.116 0.000 2.248 325 R HA 0.489 4.829 4.340 0.001 0.000 0.328 325 R C -1.174 175.098 176.300 -0.046 0.000 1.067 325 R CA -0.330 55.730 56.100 -0.066 0.000 0.924 325 R CB 0.520 30.792 30.300 -0.048 0.000 1.013 325 R HN 0.442 nan 8.270 nan 0.000 0.454 326 V N 4.010 123.916 119.914 -0.013 0.000 2.532 326 V HA 0.778 4.898 4.120 0.001 0.000 0.295 326 V C 0.868 177.022 176.094 0.100 0.000 1.041 326 V CA -0.029 62.304 62.300 0.055 0.000 0.926 326 V CB 1.460 33.331 31.823 0.081 0.000 0.992 326 V HN 1.079 nan 8.190 nan 0.000 0.457 327 G N 2.249 111.184 108.800 0.226 0.000 2.498 327 G HA2 0.450 4.410 3.960 0.001 0.000 0.181 327 G HA3 0.450 4.410 3.960 0.001 0.000 0.181 327 G C -0.722 174.382 174.900 0.340 0.000 1.169 327 G CA 0.049 45.270 45.100 0.200 0.000 0.992 327 G HN 0.795 nan 8.290 nan 0.000 0.490 328 D N 1.658 122.157 120.400 0.165 0.000 2.312 328 D HA 0.601 5.241 4.640 0.001 0.000 0.252 328 D C -0.454 175.913 176.300 0.112 0.000 1.150 328 D CA -0.703 53.396 54.000 0.166 0.000 0.870 328 D CB 0.683 41.533 40.800 0.084 0.000 1.153 328 D HN 0.266 nan 8.370 nan 0.000 0.457 329 P HA -0.272 nan 4.420 nan 0.000 0.218 329 P C 1.159 178.485 177.300 0.045 0.000 1.146 329 P CA 0.924 64.063 63.100 0.065 0.000 0.820 329 P CB 0.223 31.957 31.700 0.056 0.000 0.778 330 R N 0.066 120.591 120.500 0.042 0.000 2.075 330 R HA -0.046 4.294 4.340 0.001 0.000 0.232 330 R C 0.396 176.710 176.300 0.023 0.000 1.126 330 R CA 0.759 56.876 56.100 0.028 0.000 0.963 330 R CB -1.070 29.246 30.300 0.025 0.000 0.858 330 R HN 0.254 nan 8.270 nan 0.000 0.435 331 D N 3.360 123.774 120.400 0.024 0.000 2.402 331 D HA -0.010 4.630 4.640 0.001 0.000 0.268 331 D C -1.521 174.788 176.300 0.015 0.000 1.294 331 D CA -0.853 53.157 54.000 0.016 0.000 0.945 331 D CB 0.709 41.517 40.800 0.014 0.000 1.112 331 D HN 0.115 nan 8.370 nan 0.000 0.517 332 P HA -0.196 nan 4.420 nan 0.000 0.227 332 P C 0.885 178.190 177.300 0.009 0.000 1.145 332 P CA 1.025 64.132 63.100 0.011 0.000 0.769 332 P CB 0.078 31.783 31.700 0.008 0.000 0.769 333 T N -2.967 111.591 114.554 0.006 0.000 2.894 333 T HA 0.035 4.386 4.350 0.001 0.000 0.258 333 T C 1.113 175.812 174.700 -0.002 0.000 1.043 333 T CA -0.007 62.092 62.100 -0.000 0.000 1.141 333 T CB -1.079 67.787 68.868 -0.004 0.000 0.873 333 T HN -0.147 nan 8.240 nan 0.000 0.449 334 V N 3.525 123.444 119.914 0.008 0.000 2.694 334 V HA 0.049 4.169 4.120 0.001 0.000 0.306 334 V C 0.676 176.776 176.094 0.011 0.000 1.054 334 V CA 0.485 62.792 62.300 0.013 0.000 1.161 334 V CB 0.709 32.556 31.823 0.039 0.000 0.916 334 V HN 0.468 nan 8.190 nan 0.000 0.490 335 D N 2.488 122.879 120.400 -0.015 0.000 2.394 335 D HA 0.133 4.773 4.640 0.001 0.000 0.226 335 D C -0.081 176.237 176.300 0.029 0.000 0.990 335 D CA 0.364 54.357 54.000 -0.012 0.000 0.902 335 D CB 0.350 41.058 40.800 -0.152 0.000 1.038 335 D HN 0.384 nan 8.370 nan 0.000 0.499 336 V N 1.015 120.923 119.914 -0.010 0.000 2.409 336 V HA 0.678 4.799 4.120 0.001 0.000 0.291 336 V C 0.752 176.854 176.094 0.014 0.000 1.020 336 V CA -0.768 61.539 62.300 0.012 0.000 0.848 336 V CB 1.368 33.168 31.823 -0.039 0.000 0.990 336 V HN 0.171 nan 8.190 nan 0.000 0.430 337 G N 5.743 114.535 108.800 -0.012 0.000 2.574 337 G HA2 0.628 4.589 3.960 0.001 0.000 0.248 337 G HA3 0.628 4.589 3.960 0.001 0.000 0.248 337 G C -2.595 172.069 174.900 -0.393 0.000 1.422 337 G CA -1.057 43.991 45.100 -0.088 0.000 1.051 337 G HN 0.569 nan 8.290 nan 0.000 0.560 338 P HA 0.414 nan 4.420 nan 0.000 0.280 338 P C -0.925 176.137 177.300 -0.397 0.000 1.272 338 P CA -0.562 62.062 63.100 -0.794 0.000 0.819 338 P CB 1.578 32.808 31.700 -0.784 0.000 1.122 339 L N 0.923 121.944 121.223 -0.336 0.000 2.399 339 L HA 0.203 4.543 4.340 0.001 0.000 0.265 339 L C 1.963 178.703 176.870 -0.217 0.000 1.089 339 L CA -0.202 54.486 54.840 -0.253 0.000 0.802 339 L CB -0.131 41.818 42.059 -0.184 0.000 1.180 339 L HN 0.255 nan 8.230 nan 0.000 0.454 340 I N 0.215 120.636 120.570 -0.248 0.000 2.700 340 I HA -0.106 4.064 4.170 0.001 0.000 0.261 340 I C 0.523 176.490 176.117 -0.251 0.000 1.219 340 I CA 0.880 61.977 61.300 -0.337 0.000 1.463 340 I CB -0.255 37.221 38.000 -0.874 0.000 1.092 340 I HN 0.659 nan 8.210 nan 0.000 0.452 341 S N -2.280 113.313 115.700 -0.178 0.000 2.565 341 S HA 0.401 4.871 4.470 0.001 0.000 0.274 341 S C -2.212 172.348 174.600 -0.068 0.000 1.144 341 S CA -0.781 57.350 58.200 -0.115 0.000 0.849 341 S CB 1.366 64.495 63.200 -0.117 0.000 1.103 341 S HN -0.149 nan 8.310 nan 0.000 0.455 342 P HA -0.131 nan 4.420 nan 0.000 0.216 342 P C 1.637 178.930 177.300 -0.012 0.000 1.150 342 P CA 1.763 64.854 63.100 -0.015 0.000 0.837 342 P CB -0.149 31.549 31.700 -0.004 0.000 0.786 343 S N -0.170 115.521 115.700 -0.015 0.000 2.380 343 S HA -0.218 4.252 4.470 0.001 0.000 0.229 343 S C 2.099 176.702 174.600 0.005 0.000 1.043 343 S CA 1.690 59.888 58.200 -0.004 0.000 1.038 343 S CB -0.970 62.226 63.200 -0.007 0.000 0.872 343 S HN 0.200 nan 8.310 nan 0.000 0.456 344 A N 0.440 123.256 122.820 -0.006 0.000 1.902 344 A HA -0.008 4.312 4.320 0.001 0.000 0.217 344 A C 2.331 179.923 177.584 0.013 0.000 1.181 344 A CA 1.729 53.776 52.037 0.017 0.000 0.623 344 A CB -0.950 18.054 19.000 0.007 0.000 0.818 344 A HN 0.450 nan 8.150 nan 0.000 0.443 345 V N 0.699 120.610 119.914 -0.006 0.000 2.407 345 V HA -0.242 3.879 4.120 0.001 0.000 0.248 345 V C 2.145 178.249 176.094 0.015 0.000 1.055 345 V CA 2.222 64.522 62.300 0.000 0.000 1.049 345 V CB -0.857 30.965 31.823 -0.001 0.000 0.662 345 V HN 0.497 nan 8.190 nan 0.000 0.455 346 D N 0.155 120.564 120.400 0.016 0.000 2.106 346 D HA -0.200 4.441 4.640 0.001 0.000 0.191 346 D C 2.205 178.523 176.300 0.029 0.000 0.997 346 D CA 1.575 55.588 54.000 0.021 0.000 0.834 346 D CB -0.258 40.553 40.800 0.019 0.000 0.956 346 D HN 0.547 nan 8.370 nan 0.000 0.448 347 E N 0.013 120.234 120.200 0.035 0.000 2.118 347 E HA -0.187 4.163 4.350 0.001 0.000 0.195 347 E C 2.098 178.728 176.600 0.049 0.000 0.992 347 E CA 0.671 57.099 56.400 0.046 0.000 0.804 347 E CB -0.165 29.570 29.700 0.059 0.000 0.741 347 E HN 0.286 nan 8.360 nan 0.000 0.458 348 M N 0.132 119.758 119.600 0.043 0.000 2.086 348 M HA -0.205 4.275 4.480 0.001 0.000 0.261 348 M C 1.924 178.248 176.300 0.040 0.000 1.067 348 M CA 1.361 56.686 55.300 0.042 0.000 1.116 348 M CB 0.074 32.691 32.600 0.027 0.000 1.348 348 M HN 0.088 nan 8.290 nan 0.000 0.407 349 M N 0.562 120.182 119.600 0.033 0.000 2.086 349 M HA -0.080 4.401 4.480 0.001 0.000 0.261 349 M C 2.511 178.831 176.300 0.033 0.000 1.067 349 M CA 1.934 57.253 55.300 0.031 0.000 1.116 349 M CB -1.972 30.644 32.600 0.026 0.000 1.348 349 M HN 0.486 nan 8.290 nan 0.000 0.407 350 A N 0.014 122.855 122.820 0.034 0.000 1.978 350 A HA 0.021 4.342 4.320 0.001 0.000 0.220 350 A C 2.379 179.988 177.584 0.041 0.000 1.170 350 A CA 2.011 54.069 52.037 0.035 0.000 0.636 350 A CB -0.809 18.212 19.000 0.035 0.000 0.810 350 A HN 0.502 nan 8.150 nan 0.000 0.448 351 A N -0.397 122.452 122.820 0.048 0.000 2.016 351 A HA 0.117 4.437 4.320 0.001 0.000 0.217 351 A C 2.004 179.621 177.584 0.055 0.000 1.162 351 A CA 1.136 53.207 52.037 0.057 0.000 0.662 351 A CB -0.404 18.637 19.000 0.069 0.000 0.812 351 A HN 0.493 nan 8.150 nan 0.000 0.450 352 I N -0.966 119.633 120.570 0.048 0.000 2.406 352 I HA -0.149 4.022 4.170 0.001 0.000 0.249 352 I C 2.430 178.568 176.117 0.036 0.000 1.122 352 I CA 1.333 62.660 61.300 0.045 0.000 1.431 352 I CB -0.300 37.725 38.000 0.042 0.000 1.087 352 I HN 0.464 nan 8.210 nan 0.000 0.424 353 E N 1.323 121.542 120.200 0.032 0.000 2.072 353 E HA -0.290 4.061 4.350 0.001 0.000 0.191 353 E C 1.951 178.567 176.600 0.026 0.000 0.985 353 E CA 1.417 57.832 56.400 0.026 0.000 0.801 353 E CB -0.015 29.699 29.700 0.024 0.000 0.750 353 E HN 0.369 nan 8.360 nan 0.000 0.452 354 D N 0.006 120.425 120.400 0.032 0.000 2.116 354 D HA -0.229 4.412 4.640 0.001 0.000 0.193 354 D C 1.823 178.141 176.300 0.031 0.000 0.998 354 D CA 1.584 55.603 54.000 0.033 0.000 0.836 354 D CB -0.014 40.812 40.800 0.042 0.000 0.951 354 D HN 0.260 nan 8.370 nan 0.000 0.449 355 A N 0.413 123.255 122.820 0.036 0.000 1.933 355 A HA -0.099 4.221 4.320 0.001 0.000 0.218 355 A C 2.651 180.245 177.584 0.017 0.000 1.175 355 A CA 1.511 53.566 52.037 0.031 0.000 0.628 355 A CB -0.680 18.344 19.000 0.039 0.000 0.814 355 A HN 0.251 nan 8.150 nan 0.000 0.444 356 V N -0.097 119.827 119.914 0.017 0.000 2.307 356 V HA -0.245 3.876 4.120 0.001 0.000 0.245 356 V C 2.325 178.423 176.094 0.007 0.000 1.045 356 V CA 2.151 64.457 62.300 0.010 0.000 1.024 356 V CB -0.897 30.934 31.823 0.012 0.000 0.651 356 V HN 0.620 nan 8.190 nan 0.000 0.449 357 E N 0.067 120.274 120.200 0.010 0.000 2.209 357 E HA -0.204 4.147 4.350 0.001 0.000 0.196 357 E C 1.573 178.176 176.600 0.004 0.000 0.993 357 E CA 0.968 57.373 56.400 0.008 0.000 0.819 357 E CB -0.066 29.641 29.700 0.011 0.000 0.745 357 E HN 0.552 nan 8.360 nan 0.000 0.477 358 K N -0.766 119.636 120.400 0.004 0.000 2.500 358 K HA 0.152 4.472 4.320 0.001 0.000 0.206 358 K C 0.505 177.099 176.600 -0.011 0.000 1.034 358 K CA 0.385 56.670 56.287 -0.003 0.000 1.179 358 K CB 1.037 33.536 32.500 -0.001 0.000 0.884 358 K HN 0.205 nan 8.250 nan 0.000 0.493 359 G N 0.543 109.338 108.800 -0.009 0.000 2.176 359 G HA2 -0.214 3.747 3.960 0.001 0.000 0.232 359 G HA3 -0.214 3.747 3.960 0.001 0.000 0.232 359 G C 0.368 175.259 174.900 -0.015 0.000 0.986 359 G CA -0.383 44.708 45.100 -0.014 0.000 0.643 359 G HN 0.485 nan 8.290 nan 0.000 0.522 360 G N -0.419 108.375 108.800 -0.010 0.000 2.467 360 G HA2 0.561 4.521 3.960 0.001 0.000 0.257 360 G HA3 0.561 4.521 3.960 0.001 0.000 0.257 360 G C -0.111 174.784 174.900 -0.009 0.000 1.227 360 G CA 0.028 45.121 45.100 -0.011 0.000 0.835 360 G HN 0.590 nan 8.290 nan 0.000 0.556 361 R N 1.669 122.159 120.500 -0.017 0.000 2.476 361 R HA 0.417 4.758 4.340 0.001 0.000 0.305 361 R C -0.847 175.441 176.300 -0.019 0.000 0.965 361 R CA -0.633 55.459 56.100 -0.013 0.000 0.867 361 R CB 1.719 32.012 30.300 -0.012 0.000 1.176 361 R HN 0.343 nan 8.270 nan 0.000 0.447 362 V N 6.850 126.763 119.914 -0.002 0.000 2.529 362 V HA 0.017 4.137 4.120 0.001 0.000 0.292 362 V C 1.146 177.247 176.094 0.012 0.000 1.028 362 V CA 0.411 62.718 62.300 0.011 0.000 1.074 362 V CB 1.130 32.969 31.823 0.026 0.000 0.958 362 V HN 0.834 nan 8.190 nan 0.000 0.481 363 L N 4.129 125.364 121.223 0.020 0.000 2.590 363 L HA 0.550 4.891 4.340 0.001 0.000 0.227 363 L C 0.717 177.643 176.870 0.094 0.000 1.099 363 L CA 0.563 55.428 54.840 0.041 0.000 0.872 363 L CB 0.322 42.386 42.059 0.008 0.000 1.088 363 L HN 0.776 nan 8.230 nan 0.000 0.479 364 A N -1.083 121.807 122.820 0.116 0.000 2.594 364 A HA 0.588 4.909 4.320 0.001 0.000 0.296 364 A C 0.074 177.707 177.584 0.081 0.000 1.056 364 A CA -0.001 52.095 52.037 0.098 0.000 0.693 364 A CB 0.457 19.532 19.000 0.125 0.000 1.278 364 A HN 0.244 nan 8.150 nan 0.000 0.408 365 G N 0.602 109.429 108.800 0.045 0.000 2.552 365 G HA2 0.390 4.351 3.960 0.001 0.000 0.265 365 G HA3 0.390 4.351 3.960 0.001 0.000 0.265 365 G C 1.350 176.272 174.900 0.036 0.000 1.234 365 G CA 1.982 47.103 45.100 0.034 0.000 0.944 365 G HN 2.971 nan 8.290 nan 0.000 0.568 366 G N -2.137 106.685 108.800 0.036 0.000 2.284 366 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 366 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 366 G C 0.484 175.400 174.900 0.026 0.000 1.009 366 G CA 1.132 46.252 45.100 0.033 0.000 0.625 366 G HN 1.127 nan 8.290 nan 0.000 0.501 367 R N 1.075 121.588 120.500 0.022 0.000 2.340 367 R HA 0.546 4.887 4.340 0.001 0.000 0.300 367 R C 0.683 176.998 176.300 0.024 0.000 1.069 367 R CA -0.508 55.604 56.100 0.019 0.000 0.984 367 R CB 0.979 31.287 30.300 0.013 0.000 1.003 367 R HN 0.392 nan 8.270 nan 0.000 0.459 368 R N 2.879 123.394 120.500 0.025 0.000 2.531 368 R HA 0.153 4.494 4.340 0.001 0.000 0.273 368 R C 0.207 176.529 176.300 0.036 0.000 1.070 368 R CA -0.149 55.971 56.100 0.034 0.000 1.112 368 R CB 0.560 30.878 30.300 0.030 0.000 1.049 368 R HN 0.633 nan 8.270 nan 0.000 0.508 369 L N 2.019 123.279 121.223 0.061 0.000 3.086 369 L HA 0.443 4.783 4.340 0.001 0.000 0.274 369 L C 0.541 177.427 176.870 0.028 0.000 1.184 369 L CA 0.074 54.938 54.840 0.040 0.000 1.002 369 L CB 1.280 43.369 42.059 0.049 0.000 1.383 369 L HN 0.934 nan 8.230 nan 0.000 0.582 370 G N -0.660 108.184 108.800 0.074 0.000 2.316 370 G HA2 0.156 4.117 3.960 0.001 0.000 0.296 370 G HA3 0.156 4.117 3.960 0.001 0.000 0.296 370 G C -2.618 172.338 174.900 0.094 0.000 1.399 370 G CA -0.428 44.712 45.100 0.066 0.000 0.833 370 G HN -0.349 nan 8.290 nan 0.000 0.565 371 P HA -0.099 nan 4.420 nan 0.000 0.217 371 P C 1.310 178.646 177.300 0.059 0.000 1.148 371 P CA 2.576 65.709 63.100 0.055 0.000 0.828 371 P CB 0.065 31.789 31.700 0.041 0.000 0.783 372 T N -6.865 107.756 114.554 0.113 0.000 3.231 372 T HA 0.252 4.603 4.350 0.001 0.000 0.292 372 T C -0.285 174.398 174.700 -0.029 0.000 1.001 372 T CA -0.504 61.612 62.100 0.025 0.000 0.920 372 T CB -0.587 68.263 68.868 -0.031 0.000 1.140 372 T HN -0.150 nan 8.240 nan 0.000 0.525 373 Y N 1.446 121.731 120.300 -0.026 0.000 2.409 373 Y HA 0.678 5.228 4.550 0.001 0.000 0.343 373 Y C -0.224 175.661 175.900 -0.025 0.000 0.973 373 Y CA -1.056 57.028 58.100 -0.027 0.000 1.064 373 Y CB 2.364 40.811 38.460 -0.023 0.000 1.207 373 Y HN 0.278 nan 8.280 nan 0.000 0.452 374 V N -0.330 119.644 119.914 0.101 0.000 3.178 374 V HA 0.549 4.670 4.120 0.001 0.000 0.302 374 V C -1.258 174.858 176.094 0.037 0.000 1.262 374 V CA -1.409 60.924 62.300 0.055 0.000 1.030 374 V CB 1.881 33.712 31.823 0.014 0.000 1.074 374 V HN 0.707 nan 8.190 nan 0.000 0.438 375 Q N 2.788 122.604 119.800 0.027 0.000 2.261 375 Q HA 0.438 4.778 4.340 0.001 0.000 0.252 375 Q C -2.510 173.492 176.000 0.003 0.000 0.915 375 Q CA -1.825 53.983 55.803 0.009 0.000 0.915 375 Q CB 1.473 30.215 28.738 0.008 0.000 1.204 375 Q HN 0.617 nan 8.270 nan 0.000 0.421 376 P HA -0.037 nan 4.420 nan 0.000 0.267 376 P C -0.873 176.445 177.300 0.029 0.000 1.209 376 P CA 0.174 63.275 63.100 0.002 0.000 0.763 376 P CB 0.597 32.292 31.700 -0.008 0.000 0.816 377 T N 3.975 118.565 114.554 0.059 0.000 2.859 377 T HA 0.450 4.801 4.350 0.001 0.000 0.281 377 T C -0.690 174.142 174.700 0.220 0.000 1.005 377 T CA -0.142 62.023 62.100 0.110 0.000 1.025 377 T CB 0.663 69.585 68.868 0.089 0.000 0.977 377 T HN 0.171 nan 8.240 nan 0.000 0.458 378 F N 3.324 123.284 119.950 0.018 0.000 2.434 378 F HA 0.545 5.073 4.527 0.001 0.000 0.355 378 F C -0.942 174.876 175.800 0.030 0.000 1.115 378 F CA -1.725 56.288 58.000 0.023 0.000 1.010 378 F CB 0.854 39.860 39.000 0.010 0.000 1.234 378 F HN 0.253 nan 8.300 nan 0.000 0.439 379 V N 5.702 125.604 119.914 -0.020 0.000 2.370 379 V HA 0.273 4.394 4.120 0.001 0.000 0.279 379 V C 0.168 176.133 176.094 -0.216 0.000 1.029 379 V CA -0.893 61.350 62.300 -0.095 0.000 0.870 379 V CB 1.381 33.203 31.823 -0.001 0.000 0.984 379 V HN 0.687 nan 8.190 nan 0.000 0.451 380 E N 3.261 123.346 120.200 -0.192 0.000 2.366 380 E HA 0.624 4.975 4.350 0.001 0.000 0.266 380 E C -0.286 176.276 176.600 -0.063 0.000 1.051 380 E CA -0.157 56.161 56.400 -0.135 0.000 0.884 380 E CB 1.152 30.816 29.700 -0.060 0.000 1.006 380 E HN 0.906 nan 8.360 nan 0.000 0.417 381 A N 4.660 127.454 122.820 -0.043 0.000 2.566 381 A HA 0.457 4.777 4.320 0.001 0.000 0.297 381 A C -2.733 174.810 177.584 -0.067 0.000 1.059 381 A CA -1.339 50.672 52.037 -0.044 0.000 0.691 381 A CB 1.692 20.674 19.000 -0.030 0.000 1.282 381 A HN 0.527 nan 8.150 nan 0.000 0.401 382 P HA 0.333 nan 4.420 nan 0.000 0.280 382 P C 0.869 178.110 177.300 -0.097 0.000 1.244 382 P CA 0.380 63.424 63.100 -0.093 0.000 0.784 382 P CB 1.638 33.293 31.700 -0.075 0.000 0.913 383 A N 4.221 126.977 122.820 -0.106 0.000 1.948 383 A HA -0.211 4.109 4.320 0.001 0.000 0.220 383 A C 1.573 179.092 177.584 -0.109 0.000 1.177 383 A CA 1.996 53.970 52.037 -0.104 0.000 0.636 383 A CB -1.196 17.752 19.000 -0.087 0.000 0.815 383 A HN 0.679 nan 8.150 nan 0.000 0.449 384 D N -1.400 118.947 120.400 -0.089 0.000 2.371 384 D HA -0.084 4.556 4.640 0.001 0.000 0.234 384 D C 1.262 177.513 176.300 -0.081 0.000 1.049 384 D CA 0.558 54.511 54.000 -0.078 0.000 0.907 384 D CB -0.184 40.580 40.800 -0.060 0.000 0.891 384 D HN 0.597 nan 8.370 nan 0.000 0.531 385 R N -0.553 119.889 120.500 -0.096 0.000 2.591 385 R HA 0.097 4.437 4.340 0.001 0.000 0.288 385 R C 1.847 178.079 176.300 -0.113 0.000 0.947 385 R CA -0.062 55.986 56.100 -0.086 0.000 1.085 385 R CB 0.347 30.612 30.300 -0.058 0.000 1.618 385 R HN -0.010 nan 8.270 nan 0.000 0.524 386 V N 2.194 122.012 119.914 -0.161 0.000 2.407 386 V HA -0.208 3.913 4.120 0.001 0.000 0.248 386 V C 1.712 177.578 176.094 -0.379 0.000 1.055 386 V CA 1.894 64.070 62.300 -0.208 0.000 1.049 386 V CB -0.160 31.535 31.823 -0.214 0.000 0.662 386 V HN 0.201 nan 8.190 nan 0.000 0.455 387 K N -0.451 119.623 120.400 -0.542 0.000 2.360 387 K HA -0.199 4.121 4.320 0.001 0.000 0.201 387 K C 1.402 177.918 176.600 -0.140 0.000 1.046 387 K CA 1.581 57.498 56.287 -0.616 0.000 0.940 387 K CB -0.177 32.088 32.500 -0.392 0.000 0.748 387 K HN 0.527 nan 8.250 nan 0.000 0.465 388 D N -0.239 120.113 120.400 -0.081 0.000 2.369 388 D HA 0.065 4.706 4.640 0.001 0.000 0.211 388 D C -0.049 176.276 176.300 0.042 0.000 1.077 388 D CA -0.008 53.995 54.000 0.004 0.000 0.842 388 D CB 0.391 41.185 40.800 -0.010 0.000 0.947 388 D HN -0.007 nan 8.370 nan 0.000 0.509 389 M N 0.345 119.976 119.600 0.051 0.000 2.211 389 M HA 0.102 4.583 4.480 0.001 0.000 0.356 389 M C 1.380 177.764 176.300 0.141 0.000 1.216 389 M CA -0.486 54.864 55.300 0.083 0.000 1.134 389 M CB 2.079 34.723 32.600 0.074 0.000 1.564 389 M HN -0.245 nan 8.290 nan 0.000 0.463 390 V N 3.418 123.399 119.914 0.112 0.000 2.324 390 V HA -0.285 3.836 4.120 0.001 0.000 0.250 390 V C 2.132 178.312 176.094 0.144 0.000 1.060 390 V CA 1.870 64.241 62.300 0.118 0.000 1.042 390 V CB -0.668 31.209 31.823 0.090 0.000 0.650 390 V HN 0.813 nan 8.190 nan 0.000 0.450 391 L N -1.626 119.683 121.223 0.143 0.000 2.187 391 L HA -0.227 4.113 4.340 0.001 0.000 0.213 391 L C 2.337 179.323 176.870 0.193 0.000 1.100 391 L CA 1.920 56.851 54.840 0.151 0.000 0.765 391 L CB -0.538 41.603 42.059 0.137 0.000 0.904 391 L HN 0.464 nan 8.230 nan 0.000 0.437 392 Y N 0.647 121.001 120.300 0.089 0.000 2.266 392 Y HA -0.088 4.462 4.550 0.001 0.000 0.294 392 Y C 2.519 178.487 175.900 0.112 0.000 1.127 392 Y CA 1.136 59.293 58.100 0.096 0.000 1.140 392 Y CB 0.112 38.613 38.460 0.069 0.000 1.071 392 Y HN -0.111 nan 8.280 nan 0.000 0.525 393 K N 0.378 120.939 120.400 0.268 0.000 2.209 393 K HA -0.053 4.268 4.320 0.001 0.000 0.204 393 K C 0.445 177.110 176.600 0.109 0.000 1.048 393 K CA 1.008 57.388 56.287 0.156 0.000 0.940 393 K CB 0.039 32.639 32.500 0.166 0.000 0.729 393 K HN 0.212 nan 8.250 nan 0.000 0.451 394 R N 0.296 120.892 120.500 0.160 0.000 2.912 394 R HA 0.232 4.572 4.340 0.001 0.000 0.262 394 R C -0.796 175.648 176.300 0.241 0.000 1.057 394 R CA -0.724 55.510 56.100 0.224 0.000 0.981 394 R CB 1.498 31.895 30.300 0.162 0.000 1.201 394 R HN -0.018 nan 8.270 nan 0.000 0.484 395 E N 1.671 122.009 120.200 0.231 0.000 2.081 395 E HA 0.190 4.541 4.350 0.001 0.000 0.276 395 E C -1.157 175.520 176.600 0.128 0.000 0.950 395 E CA -0.400 56.050 56.400 0.082 0.000 0.776 395 E CB 1.294 30.896 29.700 -0.163 0.000 1.094 395 E HN 0.207 nan 8.360 nan 0.000 0.402 396 V N 6.673 126.667 119.914 0.135 0.000 2.320 396 V HA 0.108 4.228 4.120 0.001 0.000 0.265 396 V C -0.066 176.136 176.094 0.181 0.000 1.048 396 V CA -0.518 61.867 62.300 0.142 0.000 0.865 396 V CB -0.082 31.804 31.823 0.104 0.000 1.043 396 V HN 0.633 nan 8.190 nan 0.000 0.474 397 F N 5.273 125.233 119.950 0.017 0.000 2.604 397 F HA 0.511 5.038 4.527 0.001 0.000 0.337 397 F C 0.716 176.518 175.800 0.004 0.000 1.294 397 F CA 0.144 58.153 58.000 0.014 0.000 1.066 397 F CB -0.388 38.647 39.000 0.059 0.000 1.391 397 F HN 0.636 nan 8.300 nan 0.000 0.652 398 A N 5.770 128.493 122.820 -0.162 0.000 2.490 398 A HA 0.529 4.850 4.320 0.001 0.000 0.292 398 A C -2.888 174.607 177.584 -0.148 0.000 1.047 398 A CA -1.055 50.886 52.037 -0.161 0.000 0.632 398 A CB 0.977 19.948 19.000 -0.048 0.000 1.323 398 A HN 0.169 nan 8.150 nan 0.000 0.448 399 P HA 0.383 nan 4.420 nan 0.000 0.231 399 P C -0.778 176.521 177.300 -0.001 0.000 1.811 399 P CA 0.230 63.294 63.100 -0.058 0.000 1.051 399 P CB 0.278 31.957 31.700 -0.035 0.000 1.951 400 V N 1.948 121.871 119.914 0.016 0.000 2.808 400 V HA 0.831 4.952 4.120 0.001 0.000 0.308 400 V C -1.541 174.620 176.094 0.112 0.000 1.099 400 V CA -0.753 61.592 62.300 0.074 0.000 0.920 400 V CB 2.132 33.997 31.823 0.070 0.000 1.014 400 V HN 0.454 nan 8.190 nan 0.000 0.425 401 A N 6.092 129.034 122.820 0.205 0.000 2.539 401 A HA 0.914 5.235 4.320 0.001 0.000 0.296 401 A C -1.554 176.223 177.584 0.322 0.000 1.073 401 A CA -0.748 51.446 52.037 0.260 0.000 0.700 401 A CB 1.814 20.972 19.000 0.263 0.000 1.296 401 A HN 0.945 nan 8.150 nan 0.000 0.405 402 L N 0.901 122.264 121.223 0.234 0.000 2.343 402 L HA 0.720 5.060 4.340 0.001 0.000 0.275 402 L C 0.510 177.432 176.870 0.087 0.000 1.056 402 L CA -0.405 54.507 54.840 0.120 0.000 0.804 402 L CB 1.807 43.954 42.059 0.146 0.000 1.203 402 L HN 0.846 nan 8.230 nan 0.000 0.440 403 A N 2.770 125.509 122.820 -0.135 0.000 2.343 403 A HA 0.825 5.145 4.320 0.001 0.000 0.316 403 A C -1.098 176.543 177.584 0.095 0.000 1.104 403 A CA -0.483 51.500 52.037 -0.091 0.000 0.768 403 A CB 1.567 20.218 19.000 -0.582 0.000 1.213 403 A HN 0.387 nan 8.150 nan 0.000 0.456 404 V N 2.247 122.291 119.914 0.216 0.000 2.668 404 V HA 0.309 4.429 4.120 0.001 0.000 0.304 404 V C -0.129 175.951 176.094 -0.024 0.000 1.071 404 V CA -0.604 61.734 62.300 0.063 0.000 0.894 404 V CB 1.664 33.510 31.823 0.038 0.000 1.008 404 V HN 1.048 nan 8.190 nan 0.000 0.425 405 E N 3.427 123.328 120.200 -0.499 0.000 2.354 405 E HA 0.596 4.947 4.350 0.001 0.000 0.269 405 E C -0.763 175.700 176.600 -0.228 0.000 1.036 405 E CA -0.355 55.657 56.400 -0.647 0.000 0.876 405 E CB 1.645 30.681 29.700 -1.107 0.000 1.009 405 E HN 0.680 nan 8.360 nan 0.000 0.416 406 V N 1.289 121.145 119.914 -0.097 0.000 3.007 406 V HA 0.364 4.484 4.120 0.001 0.000 0.311 406 V C 0.580 176.661 176.094 -0.021 0.000 1.120 406 V CA -0.610 61.665 62.300 -0.041 0.000 0.980 406 V CB 1.767 33.596 31.823 0.011 0.000 1.033 406 V HN 0.893 nan 8.190 nan 0.000 0.429 407 K N 1.242 121.631 120.400 -0.018 0.000 2.062 407 K HA 0.149 4.469 4.320 0.001 0.000 0.205 407 K C 0.075 176.681 176.600 0.011 0.000 1.051 407 K CA 1.396 57.679 56.287 -0.007 0.000 0.941 407 K CB -0.237 32.256 32.500 -0.011 0.000 0.719 407 K HN 0.955 nan 8.250 nan 0.000 0.440 408 D N -1.338 119.072 120.400 0.017 0.000 2.759 408 D HA 0.024 4.665 4.640 0.001 0.000 0.321 408 D C 0.437 176.757 176.300 0.033 0.000 1.267 408 D CA -0.830 53.185 54.000 0.026 0.000 0.933 408 D CB 0.361 41.173 40.800 0.019 0.000 1.431 408 D HN -0.074 nan 8.370 nan 0.000 0.504 409 L N 0.514 121.758 121.223 0.035 0.000 2.012 409 L HA -0.095 4.245 4.340 0.001 0.000 0.210 409 L C 1.219 178.111 176.870 0.036 0.000 1.073 409 L CA 2.161 57.025 54.840 0.039 0.000 0.748 409 L CB -1.025 41.054 42.059 0.034 0.000 0.891 409 L HN 0.434 nan 8.230 nan 0.000 0.431 410 D N -0.854 119.563 120.400 0.028 0.000 2.149 410 D HA -0.274 4.367 4.640 0.001 0.000 0.198 410 D C 2.050 178.368 176.300 0.029 0.000 0.990 410 D CA 1.578 55.593 54.000 0.026 0.000 0.839 410 D CB -0.030 40.781 40.800 0.018 0.000 0.948 410 D HN 0.613 nan 8.370 nan 0.000 0.460 411 Q N 0.315 120.131 119.800 0.027 0.000 2.083 411 Q HA -0.078 4.262 4.340 0.001 0.000 0.198 411 Q C 2.084 178.111 176.000 0.044 0.000 0.969 411 Q CA 1.269 57.088 55.803 0.027 0.000 0.838 411 Q CB 0.019 28.765 28.738 0.014 0.000 0.900 411 Q HN 0.175 nan 8.270 nan 0.000 0.436 412 A N 1.214 124.065 122.820 0.053 0.000 1.851 412 A HA -0.213 4.107 4.320 0.001 0.000 0.216 412 A C 2.017 179.648 177.584 0.079 0.000 1.195 412 A CA 1.656 53.738 52.037 0.074 0.000 0.622 412 A CB -0.913 18.135 19.000 0.080 0.000 0.831 412 A HN 0.496 nan 8.150 nan 0.000 0.444 413 I N -0.428 120.180 120.570 0.063 0.000 2.151 413 I HA -0.296 3.875 4.170 0.001 0.000 0.243 413 I C 2.687 178.844 176.117 0.066 0.000 1.080 413 I CA 1.890 63.226 61.300 0.059 0.000 1.339 413 I CB -0.456 37.570 38.000 0.043 0.000 1.039 413 I HN 0.531 nan 8.210 nan 0.000 0.409 414 E N 1.625 121.861 120.200 0.060 0.000 2.038 414 E HA -0.229 4.122 4.350 0.001 0.000 0.195 414 E C 2.339 178.998 176.600 0.098 0.000 1.000 414 E CA 1.559 57.997 56.400 0.063 0.000 0.803 414 E CB -0.172 29.555 29.700 0.045 0.000 0.750 414 E HN 0.488 nan 8.360 nan 0.000 0.448 415 L N 0.432 121.721 121.223 0.110 0.000 2.046 415 L HA -0.163 4.178 4.340 0.001 0.000 0.208 415 L C 2.779 179.796 176.870 0.246 0.000 1.077 415 L CA 1.136 56.085 54.840 0.182 0.000 0.747 415 L CB -0.466 41.679 42.059 0.144 0.000 0.896 415 L HN 0.166 nan 8.230 nan 0.000 0.432 416 A N 0.089 123.006 122.820 0.161 0.000 1.877 416 A HA -0.214 4.107 4.320 0.001 0.000 0.216 416 A C 1.957 179.599 177.584 0.096 0.000 1.186 416 A CA 1.895 54.009 52.037 0.128 0.000 0.620 416 A CB -0.554 18.507 19.000 0.101 0.000 0.822 416 A HN 0.438 nan 8.150 nan 0.000 0.443 417 N N 0.088 118.843 118.700 0.091 0.000 2.512 417 N HA -0.057 4.684 4.740 0.001 0.000 0.183 417 N C 1.593 177.146 175.510 0.072 0.000 1.073 417 N CA 0.968 54.058 53.050 0.067 0.000 0.911 417 N CB -0.405 38.115 38.487 0.055 0.000 0.964 417 N HN 0.508 nan 8.380 nan 0.000 0.447 418 G N 0.496 109.381 108.800 0.141 0.000 2.534 418 G HA2 -0.125 3.835 3.960 0.001 0.000 0.217 418 G HA3 -0.125 3.835 3.960 0.001 0.000 0.217 418 G C 0.831 175.787 174.900 0.093 0.000 1.128 418 G CA 0.051 45.275 45.100 0.208 0.000 0.784 418 G HN 0.229 nan 8.290 nan 0.000 0.542 419 R N 0.261 120.680 120.500 -0.135 0.000 2.560 419 R HA 0.206 4.546 4.340 0.001 0.000 0.270 419 R C -1.395 174.800 176.300 -0.174 0.000 1.074 419 R CA -1.451 54.462 56.100 -0.311 0.000 1.140 419 R CB 0.750 30.863 30.300 -0.312 0.000 1.073 419 R HN -0.005 nan 8.270 nan 0.000 0.527 420 P HA -0.084 nan 4.420 nan 0.000 0.237 420 P C -0.590 176.440 177.300 -0.451 0.000 1.178 420 P CA 1.075 63.939 63.100 -0.393 0.000 0.766 420 P CB 0.317 31.695 31.700 -0.536 0.000 0.876 421 Y N 0.188 120.474 120.300 -0.022 0.000 2.458 421 Y HA 0.618 5.168 4.550 0.001 0.000 0.322 421 Y C 1.570 177.480 175.900 0.017 0.000 1.259 421 Y CA -0.274 57.830 58.100 0.006 0.000 1.302 421 Y CB 1.052 39.519 38.460 0.011 0.000 1.314 421 Y HN -0.180 nan 8.280 nan 0.000 0.509 422 G N 0.909 109.842 108.800 0.221 0.000 4.677 422 G HA2 0.280 4.240 3.960 0.001 0.000 0.225 422 G HA3 0.280 4.240 3.960 0.001 0.000 0.225 422 G C -0.422 174.567 174.900 0.150 0.000 0.876 422 G CA -0.170 45.016 45.100 0.143 0.000 0.652 422 G HN 0.537 nan 8.290 nan 0.000 0.481 423 L N 0.113 121.439 121.223 0.172 0.000 2.121 423 L HA 0.527 4.867 4.340 0.001 0.000 0.200 423 L C 0.440 177.434 176.870 0.207 0.000 1.132 423 L CA 1.722 56.679 54.840 0.195 0.000 0.782 423 L CB 0.098 42.280 42.059 0.204 0.000 0.940 423 L HN 0.336 nan 8.230 nan 0.000 0.458 424 D N -1.742 118.779 120.400 0.201 0.000 2.614 424 D HA 0.719 5.359 4.640 0.001 0.000 0.264 424 D C -1.239 175.155 176.300 0.157 0.000 1.092 424 D CA -0.197 53.939 54.000 0.226 0.000 1.071 424 D CB 1.748 42.763 40.800 0.358 0.000 1.443 424 D HN 0.421 nan 8.370 nan 0.000 0.528 425 A N -0.390 122.526 122.820 0.161 0.000 2.606 425 A HA 0.850 5.170 4.320 0.001 0.000 0.293 425 A C -1.711 175.941 177.584 0.114 0.000 1.082 425 A CA -0.654 51.449 52.037 0.110 0.000 0.685 425 A CB 1.613 20.660 19.000 0.078 0.000 1.284 425 A HN 0.718 nan 8.150 nan 0.000 0.408 426 A N 0.213 123.071 122.820 0.063 0.000 2.365 426 A HA 0.784 5.104 4.320 0.001 0.000 0.318 426 A C -1.185 176.344 177.584 -0.092 0.000 1.091 426 A CA -0.558 51.455 52.037 -0.039 0.000 0.763 426 A CB 1.517 20.492 19.000 -0.042 0.000 1.248 426 A HN 1.539 nan 8.150 nan 0.000 0.442 427 V N 2.050 121.808 119.914 -0.259 0.000 2.525 427 V HA 0.474 4.595 4.120 0.001 0.000 0.299 427 V C -1.434 174.450 176.094 -0.350 0.000 1.034 427 V CA -0.243 61.959 62.300 -0.163 0.000 0.863 427 V CB 1.244 33.021 31.823 -0.076 0.000 0.999 427 V HN 0.731 nan 8.190 nan 0.000 0.423 428 F N 2.903 122.875 119.950 0.037 0.000 2.427 428 F HA 0.914 5.441 4.527 0.001 0.000 0.346 428 F C 0.809 176.625 175.800 0.027 0.000 1.120 428 F CA -0.069 57.948 58.000 0.028 0.000 1.033 428 F CB 2.135 41.150 39.000 0.025 0.000 1.126 428 F HN 0.726 nan 8.300 nan 0.000 0.462 429 G N 2.614 111.505 108.800 0.152 0.000 2.313 429 G HA2 0.341 4.301 3.960 0.001 0.000 0.296 429 G HA3 0.341 4.301 3.960 0.001 0.000 0.296 429 G C -0.536 174.401 174.900 0.061 0.000 1.356 429 G CA -0.940 44.221 45.100 0.100 0.000 0.833 429 G HN 0.506 nan 8.290 nan 0.000 0.552 430 R N -0.941 119.586 120.500 0.046 0.000 2.507 430 R HA 0.206 4.546 4.340 0.001 0.000 0.230 430 R C -0.039 176.272 176.300 0.019 0.000 0.897 430 R CA -0.388 55.730 56.100 0.031 0.000 1.006 430 R CB 0.825 31.145 30.300 0.033 0.000 1.341 430 R HN 0.465 nan 8.270 nan 0.000 0.604 431 D N 2.344 122.756 120.400 0.021 0.000 2.382 431 D HA -0.026 4.614 4.640 0.001 0.000 0.259 431 D C 1.576 177.880 176.300 0.007 0.000 1.224 431 D CA 0.084 54.093 54.000 0.014 0.000 0.894 431 D CB 1.656 42.467 40.800 0.017 0.000 1.127 431 D HN -0.047 nan 8.370 nan 0.000 0.487 432 V N 2.861 122.777 119.914 0.003 0.000 2.392 432 V HA -0.237 3.884 4.120 0.001 0.000 0.249 432 V C 2.204 178.296 176.094 -0.004 0.000 1.059 432 V CA 1.144 63.442 62.300 -0.004 0.000 1.051 432 V CB -0.942 30.878 31.823 -0.005 0.000 0.658 432 V HN 0.444 nan 8.190 nan 0.000 0.455 433 V N 0.222 120.136 119.914 -0.000 0.000 2.270 433 V HA -0.228 3.892 4.120 0.001 0.000 0.245 433 V C 2.753 178.848 176.094 0.001 0.000 1.043 433 V CA 2.560 64.860 62.300 0.000 0.000 1.014 433 V CB -0.834 30.991 31.823 0.003 0.000 0.645 433 V HN 0.485 nan 8.190 nan 0.000 0.447 434 K N -0.321 120.083 120.400 0.006 0.000 2.063 434 K HA -0.119 4.201 4.320 0.001 0.000 0.208 434 K C 2.024 178.627 176.600 0.005 0.000 1.048 434 K CA 1.599 57.892 56.287 0.010 0.000 0.928 434 K CB -0.304 32.207 32.500 0.018 0.000 0.713 434 K HN 0.386 nan 8.250 nan 0.000 0.442 435 I N 0.268 120.837 120.570 -0.001 0.000 2.179 435 I HA -0.283 3.887 4.170 0.001 0.000 0.242 435 I C 2.484 178.589 176.117 -0.019 0.000 1.088 435 I CA 0.985 62.277 61.300 -0.013 0.000 1.357 435 I CB -0.109 37.878 38.000 -0.021 0.000 1.051 435 I HN 0.073 nan 8.210 nan 0.000 0.409 436 R N 1.227 121.716 120.500 -0.017 0.000 2.091 436 R HA -0.200 4.140 4.340 0.001 0.000 0.238 436 R C 2.305 178.596 176.300 -0.015 0.000 1.136 436 R CA 1.663 57.752 56.100 -0.020 0.000 0.959 436 R CB -0.500 29.790 30.300 -0.016 0.000 0.856 436 R HN 0.207 nan 8.270 nan 0.000 0.437 437 R N -0.433 120.062 120.500 -0.007 0.000 2.073 437 R HA -0.071 4.269 4.340 0.001 0.000 0.234 437 R C 2.030 178.330 176.300 -0.001 0.000 1.134 437 R CA 1.709 57.807 56.100 -0.002 0.000 0.952 437 R CB -0.502 29.800 30.300 0.004 0.000 0.850 437 R HN 0.292 nan 8.270 nan 0.000 0.433 438 A N 0.168 122.988 122.820 -0.000 0.000 1.908 438 A HA -0.127 4.193 4.320 0.001 0.000 0.218 438 A C 2.300 179.879 177.584 -0.007 0.000 1.181 438 A CA 1.732 53.770 52.037 0.003 0.000 0.627 438 A CB -0.705 18.297 19.000 0.005 0.000 0.818 438 A HN 0.245 nan 8.150 nan 0.000 0.445 439 V N 0.066 119.968 119.914 -0.021 0.000 2.287 439 V HA -0.293 3.828 4.120 0.001 0.000 0.248 439 V C 2.705 178.785 176.094 -0.025 0.000 1.053 439 V CA 2.489 64.769 62.300 -0.033 0.000 1.027 439 V CB -0.769 31.025 31.823 -0.048 0.000 0.646 439 V HN 0.735 nan 8.190 nan 0.000 0.447 440 R N -0.182 120.307 120.500 -0.018 0.000 2.081 440 R HA -0.110 4.231 4.340 0.001 0.000 0.235 440 R C 2.076 178.372 176.300 -0.006 0.000 1.131 440 R CA 1.722 57.814 56.100 -0.014 0.000 0.960 440 R CB -0.212 30.082 30.300 -0.011 0.000 0.856 440 R HN 0.488 nan 8.270 nan 0.000 0.436 441 L N 0.713 121.936 121.223 -0.000 0.000 2.446 441 L HA 0.157 4.498 4.340 0.001 0.000 0.219 441 L C 0.459 177.337 176.870 0.014 0.000 1.116 441 L CA -0.212 54.633 54.840 0.008 0.000 0.844 441 L CB 0.063 42.129 42.059 0.012 0.000 0.970 441 L HN 0.108 nan 8.230 nan 0.000 0.457 442 L N 1.330 122.561 121.223 0.014 0.000 2.418 442 L HA 0.042 4.383 4.340 0.001 0.000 0.274 442 L C 0.729 177.612 176.870 0.022 0.000 1.135 442 L CA 0.237 55.091 54.840 0.024 0.000 0.870 442 L CB 0.547 42.621 42.059 0.024 0.000 1.154 442 L HN 0.107 nan 8.230 nan 0.000 0.462 443 E N 4.497 124.715 120.200 0.029 0.000 1.892 443 E HA 0.291 4.641 4.350 0.001 0.000 0.271 443 E C -0.994 175.631 176.600 0.041 0.000 1.146 443 E CA -0.368 56.049 56.400 0.027 0.000 1.096 443 E CB 0.305 30.021 29.700 0.026 0.000 1.155 443 E HN 0.423 nan 8.360 nan 0.000 0.458 444 V N -0.403 119.534 119.914 0.038 0.000 3.114 444 V HA 0.620 4.740 4.120 0.001 0.000 0.308 444 V C 1.030 177.150 176.094 0.044 0.000 1.168 444 V CA -0.378 61.958 62.300 0.059 0.000 1.015 444 V CB 1.341 33.209 31.823 0.076 0.000 1.050 444 V HN 0.288 nan 8.190 nan 0.000 0.433 445 G N 0.700 109.541 108.800 0.067 0.000 2.443 445 G HA2 0.454 4.414 3.960 0.001 0.000 0.219 445 G HA3 0.454 4.414 3.960 0.001 0.000 0.219 445 G C 0.491 175.406 174.900 0.024 0.000 1.131 445 G CA 0.954 46.080 45.100 0.044 0.000 0.775 445 G HN 1.791 nan 8.290 nan 0.000 0.547 446 A N -1.026 121.826 122.820 0.054 0.000 2.574 446 A HA 0.694 5.014 4.320 0.001 0.000 0.297 446 A C -1.811 175.751 177.584 -0.035 0.000 1.062 446 A CA -0.601 51.422 52.037 -0.024 0.000 0.686 446 A CB 1.344 20.350 19.000 0.010 0.000 1.285 446 A HN 0.098 nan 8.150 nan 0.000 0.403 447 I N 1.231 121.689 120.570 -0.186 0.000 2.436 447 I HA 0.408 4.579 4.170 0.001 0.000 0.289 447 I C -1.412 174.507 176.117 -0.330 0.000 1.010 447 I CA -0.109 61.106 61.300 -0.142 0.000 1.098 447 I CB 1.598 39.532 38.000 -0.110 0.000 1.266 447 I HN 0.548 nan 8.210 nan 0.000 0.434 448 Y N 6.245 126.473 120.300 -0.120 0.000 2.353 448 Y HA 0.462 5.012 4.550 0.001 0.000 0.340 448 Y C -0.004 175.741 175.900 -0.258 0.000 0.972 448 Y CA -0.768 57.230 58.100 -0.169 0.000 1.157 448 Y CB 0.819 39.186 38.460 -0.154 0.000 1.157 448 Y HN 0.254 nan 8.280 nan 0.000 0.495 449 I N 4.534 125.007 120.570 -0.162 0.000 2.352 449 I HA 0.079 4.250 4.170 0.001 0.000 0.290 449 I C 0.269 176.246 176.117 -0.232 0.000 1.036 449 I CA -0.611 60.566 61.300 -0.206 0.000 1.336 449 I CB 0.376 38.290 38.000 -0.143 0.000 1.407 449 I HN 0.716 nan 8.210 nan 0.000 0.497 450 N N 4.001 122.442 118.700 -0.432 0.000 2.725 450 N HA -0.216 4.524 4.740 0.001 0.000 0.251 450 N C -0.447 174.993 175.510 -0.117 0.000 1.031 450 N CA 1.005 53.876 53.050 -0.298 0.000 0.720 450 N CB -0.572 37.920 38.487 0.007 0.000 0.930 450 N HN 0.753 nan 8.380 nan 0.000 0.543 451 D N -0.864 119.336 120.400 -0.334 0.000 2.728 451 D HA 0.239 4.880 4.640 0.001 0.000 0.249 451 D C -0.316 175.981 176.300 -0.005 0.000 1.225 451 D CA -0.550 53.475 54.000 0.041 0.000 0.748 451 D CB 0.759 41.590 40.800 0.051 0.000 1.326 451 D HN 0.123 nan 8.370 nan 0.000 0.426 452 M N 0.018 119.652 119.600 0.057 0.000 2.241 452 M HA 0.619 5.100 4.480 0.001 0.000 0.335 452 M C -2.313 173.747 176.300 -0.400 0.000 1.122 452 M CA -1.194 54.066 55.300 -0.066 0.000 1.164 452 M CB 0.687 33.238 32.600 -0.082 0.000 1.459 452 M HN -0.074 nan 8.290 nan 0.000 0.461 453 P HA 0.231 nan 4.420 nan 0.000 0.271 453 P C -1.345 175.386 177.300 -0.948 0.000 1.226 453 P CA 0.072 62.426 63.100 -1.244 0.000 0.765 453 P CB 0.453 31.778 31.700 -0.625 0.000 0.835 454 R N 2.389 122.271 120.500 -1.030 0.000 2.512 454 R HA 0.221 4.561 4.340 0.001 0.000 0.291 454 R C 0.562 176.689 176.300 -0.288 0.000 1.097 454 R CA -0.389 55.384 56.100 -0.545 0.000 0.940 454 R CB 0.616 30.723 30.300 -0.323 0.000 1.198 454 R HN 0.586 nan 8.270 nan 0.000 0.429 455 H N 2.381 121.218 119.070 -0.389 0.000 2.428 455 H HA 0.060 4.616 4.556 0.001 0.000 0.296 455 H C 1.426 176.601 175.328 -0.255 0.000 1.062 455 H CA 0.508 56.275 56.048 -0.469 0.000 1.350 455 H CB 0.412 29.513 29.762 -1.102 0.000 1.403 455 H HN 0.954 nan 8.280 nan 0.000 0.533 456 G N 1.671 110.358 108.800 -0.188 0.000 2.596 456 G HA2 -0.384 3.576 3.960 0.001 0.000 0.295 456 G HA3 -0.384 3.576 3.960 0.001 0.000 0.295 456 G C 0.982 175.737 174.900 -0.241 0.000 1.240 456 G CA 0.551 45.533 45.100 -0.197 0.000 0.985 456 G HN 0.564 nan 8.290 nan 0.000 0.555 457 I N -0.789 119.745 120.570 -0.059 0.000 3.684 457 I HA 0.509 4.680 4.170 0.001 0.000 0.304 457 I C 1.557 177.890 176.117 0.361 0.000 1.278 457 I CA 0.942 62.328 61.300 0.143 0.000 1.272 457 I CB -0.216 37.909 38.000 0.209 0.000 1.029 457 I HN 2.217 nan 8.210 nan 0.000 0.458 458 G N 1.255 110.250 108.800 0.326 0.000 2.164 458 G HA2 -0.358 3.602 3.960 0.001 0.000 0.212 458 G HA3 -0.358 3.602 3.960 0.001 0.000 0.212 458 G C 0.363 175.429 174.900 0.277 0.000 1.031 458 G CA 0.294 45.657 45.100 0.437 0.000 0.730 458 G HN 0.586 nan 8.290 nan 0.000 0.501 459 Y N -0.072 120.241 120.300 0.022 0.000 2.256 459 Y HA 0.162 4.713 4.550 0.001 0.000 0.288 459 Y C 0.891 176.611 175.900 -0.300 0.000 1.155 459 Y CA 1.662 59.640 58.100 -0.203 0.000 1.203 459 Y CB 0.120 38.326 38.460 -0.423 0.000 0.980 459 Y HN 0.373 nan 8.280 nan 0.000 0.530 460 Y N 1.228 121.707 120.300 0.300 0.000 2.364 460 Y HA 0.389 4.940 4.550 0.001 0.000 0.340 460 Y C -2.115 173.842 175.900 0.094 0.000 0.975 460 Y CA -4.018 54.168 58.100 0.144 0.000 1.089 460 Y CB 0.665 39.216 38.460 0.153 0.000 1.192 460 Y HN -0.117 nan 8.280 nan 0.000 0.454 461 P HA 0.208 nan 4.420 nan 0.000 0.272 461 P C -1.020 176.255 177.300 -0.043 0.000 1.223 461 P CA 0.163 63.130 63.100 -0.221 0.000 0.784 461 P CB 0.770 31.974 31.700 -0.827 0.000 0.923 462 F N -1.650 118.196 119.950 -0.174 0.000 2.668 462 F HA 0.853 5.381 4.527 0.001 0.000 0.309 462 F C -0.534 175.174 175.800 -0.154 0.000 1.117 462 F CA -0.690 57.199 58.000 -0.185 0.000 0.951 462 F CB 1.395 40.164 39.000 -0.386 0.000 1.323 462 F HN 0.712 nan 8.300 nan 0.000 0.451 463 G N -0.249 108.581 108.800 0.050 0.000 2.322 463 G HA2 0.526 4.487 3.960 0.001 0.000 0.295 463 G HA3 0.526 4.487 3.960 0.001 0.000 0.295 463 G C -1.402 173.565 174.900 0.112 0.000 1.369 463 G CA -0.223 44.895 45.100 0.029 0.000 0.821 463 G HN 1.260 nan 8.290 nan 0.000 0.536 464 G N -0.874 107.998 108.800 0.120 0.000 2.488 464 G HA2 0.692 4.653 3.960 0.001 0.000 0.318 464 G HA3 0.692 4.653 3.960 0.001 0.000 0.318 464 G C -0.590 174.366 174.900 0.093 0.000 1.188 464 G CA -0.546 44.630 45.100 0.128 0.000 0.944 464 G HN 0.494 nan 8.290 nan 0.000 0.495 465 R N -0.168 120.388 120.500 0.093 0.000 2.888 465 R HA 0.502 4.842 4.340 0.001 0.000 0.266 465 R C 0.311 176.654 176.300 0.072 0.000 1.020 465 R CA -0.708 55.431 56.100 0.065 0.000 0.963 465 R CB 1.696 32.026 30.300 0.050 0.000 1.197 465 R HN 0.875 nan 8.270 nan 0.000 0.481 466 K N 0.507 120.934 120.400 0.045 0.000 1.867 466 K HA -0.310 4.011 4.320 0.001 0.000 0.140 466 K C 0.674 177.295 176.600 0.035 0.000 1.408 466 K CA 1.804 58.106 56.287 0.025 0.000 0.461 466 K CB -0.750 31.756 32.500 0.010 0.000 0.594 466 K HN 0.488 nan 8.250 nan 0.000 0.888 467 K N 1.033 121.441 120.400 0.013 0.000 2.487 467 K HA 0.091 4.412 4.320 0.001 0.000 0.192 467 K C 1.022 177.745 176.600 0.205 0.000 1.027 467 K CA 0.484 56.799 56.287 0.047 0.000 1.054 467 K CB 0.161 32.598 32.500 -0.105 0.000 0.824 467 K HN 0.258 nan 8.250 nan 0.000 0.510 468 S N 0.615 116.452 115.700 0.228 0.000 2.603 468 S HA 0.106 4.577 4.470 0.001 0.000 0.220 468 S C 0.689 175.396 174.600 0.178 0.000 0.967 468 S CA 0.400 58.745 58.200 0.242 0.000 0.920 468 S CB 0.292 63.629 63.200 0.228 0.000 0.773 468 S HN 0.645 nan 8.310 nan 0.000 0.529 469 G N 0.215 109.100 108.800 0.141 0.000 2.466 469 G HA2 0.012 3.972 3.960 0.001 0.000 0.316 469 G HA3 0.012 3.972 3.960 0.001 0.000 0.316 469 G C -1.279 173.695 174.900 0.124 0.000 1.270 469 G CA -0.376 44.799 45.100 0.126 0.000 0.982 469 G HN 0.519 nan 8.290 nan 0.000 0.506 470 V N -0.143 119.865 119.914 0.156 0.000 2.925 470 V HA 0.871 4.992 4.120 0.001 0.000 0.311 470 V C 0.072 176.397 176.094 0.384 0.000 1.104 470 V CA 0.539 62.980 62.300 0.235 0.000 0.954 470 V CB 1.122 33.098 31.823 0.255 0.000 1.022 470 V HN 2.220 nan 8.190 nan 0.000 0.427 471 F N 3.202 123.155 119.950 0.005 0.000 2.183 471 F HA -0.069 4.459 4.527 0.001 0.000 0.318 471 F C 0.109 175.860 175.800 -0.081 0.000 0.913 471 F CA 0.261 58.247 58.000 -0.023 0.000 0.912 471 F CB -0.182 38.815 39.000 -0.006 0.000 4.135 471 F HN 0.634 nan 8.300 nan 0.000 0.137 472 R N 0.749 121.258 120.500 0.016 0.000 2.807 472 R HA 0.661 5.001 4.340 0.001 0.000 0.276 472 R C -0.964 175.177 176.300 -0.265 0.000 0.979 472 R CA -1.038 54.951 56.100 -0.186 0.000 0.928 472 R CB 2.110 32.270 30.300 -0.233 0.000 1.191 472 R HN 0.615 nan 8.270 nan 0.000 0.471 473 E N -0.163 119.700 120.200 -0.563 0.000 2.249 473 E HA 0.744 5.094 4.350 0.001 0.000 0.263 473 E C -0.404 175.911 176.600 -0.476 0.000 0.950 473 E CA -0.922 55.166 56.400 -0.520 0.000 0.827 473 E CB 2.371 31.776 29.700 -0.492 0.000 1.220 473 E HN 0.759 nan 8.360 nan 0.000 0.411 474 G N 0.627 109.327 108.800 -0.168 0.000 2.312 474 G HA2 0.023 3.983 3.960 0.001 0.000 0.347 474 G HA3 0.023 3.983 3.960 0.001 0.000 0.347 474 G C -0.986 173.977 174.900 0.106 0.000 1.564 474 G CA -1.133 43.988 45.100 0.034 0.000 0.981 474 G HN 0.425 nan 8.290 nan 0.000 0.678 475 I N 2.181 122.834 120.570 0.138 0.000 2.662 475 I HA 0.284 4.455 4.170 0.001 0.000 0.285 475 I C 1.740 177.921 176.117 0.106 0.000 1.161 475 I CA 2.141 63.502 61.300 0.102 0.000 1.415 475 I CB 0.378 38.396 38.000 0.030 0.000 1.385 475 I HN 1.802 nan 8.210 nan 0.000 0.552 476 G N 5.153 113.992 108.800 0.066 0.000 3.206 476 G HA2 -0.371 3.589 3.960 0.001 0.000 0.217 476 G HA3 -0.371 3.589 3.960 0.001 0.000 0.217 476 G C 0.721 175.522 174.900 -0.164 0.000 1.350 476 G CA 0.273 45.346 45.100 -0.046 0.000 0.836 476 G HN 0.550 nan 8.290 nan 0.000 0.548 477 Y N 1.496 121.737 120.300 -0.099 0.000 2.293 477 Y HA 0.285 4.836 4.550 0.001 0.000 0.291 477 Y C 3.241 179.018 175.900 -0.205 0.000 1.137 477 Y CA 1.898 59.911 58.100 -0.145 0.000 1.202 477 Y CB -0.602 37.770 38.460 -0.147 0.000 0.990 477 Y HN 0.533 nan 8.280 nan 0.000 0.537 478 A N -0.403 122.329 122.820 -0.146 0.000 2.076 478 A HA -0.171 4.149 4.320 0.001 0.000 0.220 478 A C 2.446 179.844 177.584 -0.311 0.000 1.160 478 A CA 1.505 53.276 52.037 -0.443 0.000 0.653 478 A CB -1.232 17.121 19.000 -1.078 0.000 0.801 478 A HN 0.332 nan 8.150 nan 0.000 0.455 479 V N 0.540 120.315 119.914 -0.232 0.000 2.453 479 V HA -0.298 3.823 4.120 0.001 0.000 0.252 479 V C 2.155 178.022 176.094 -0.378 0.000 1.068 479 V CA 2.692 64.692 62.300 -0.500 0.000 1.070 479 V CB -0.629 30.685 31.823 -0.848 0.000 0.664 479 V HN 0.764 nan 8.190 nan 0.000 0.461 480 E N 0.232 120.292 120.200 -0.234 0.000 2.204 480 E HA -0.117 4.233 4.350 0.001 0.000 0.194 480 E C 2.112 178.706 176.600 -0.009 0.000 0.989 480 E CA 1.164 57.488 56.400 -0.126 0.000 0.824 480 E CB -0.284 29.404 29.700 -0.020 0.000 0.756 480 E HN 0.706 nan 8.360 nan 0.000 0.477 481 A N 1.109 123.921 122.820 -0.013 0.000 2.132 481 A HA 0.009 4.330 4.320 0.001 0.000 0.213 481 A C 2.043 179.588 177.584 -0.065 0.000 1.154 481 A CA 0.622 52.634 52.037 -0.041 0.000 0.753 481 A CB 0.190 19.179 19.000 -0.018 0.000 0.826 481 A HN 0.194 nan 8.150 nan 0.000 0.469 482 V N -4.394 115.491 119.914 -0.048 0.000 3.159 482 V HA 0.399 4.519 4.120 0.001 0.000 0.333 482 V C 0.187 176.247 176.094 -0.057 0.000 1.424 482 V CA 0.197 62.501 62.300 0.006 0.000 1.125 482 V CB -0.339 31.588 31.823 0.174 0.000 1.075 482 V HN 0.103 nan 8.190 nan 0.000 0.482 483 T N 1.039 115.500 114.554 -0.155 0.000 2.883 483 T HA 0.873 5.223 4.350 0.001 0.000 0.296 483 T C -0.735 173.832 174.700 -0.223 0.000 1.117 483 T CA 0.227 62.201 62.100 -0.210 0.000 1.006 483 T CB 2.039 70.691 68.868 -0.360 0.000 1.191 483 T HN 0.807 nan 8.240 nan 0.000 0.508 484 A N 1.214 123.913 122.820 -0.203 0.000 2.454 484 A HA 0.799 5.119 4.320 0.001 0.000 0.302 484 A C -1.731 175.763 177.584 -0.149 0.000 1.079 484 A CA -0.611 51.325 52.037 -0.168 0.000 0.731 484 A CB 0.811 19.768 19.000 -0.072 0.000 1.299 484 A HN 0.721 nan 8.150 nan 0.000 0.413 485 Y N 0.651 120.926 120.300 -0.041 0.000 2.326 485 Y HA 0.483 5.034 4.550 0.001 0.000 0.333 485 Y C 0.659 176.540 175.900 -0.031 0.000 1.240 485 Y CA 0.632 58.710 58.100 -0.037 0.000 1.365 485 Y CB 1.018 39.461 38.460 -0.027 0.000 1.289 485 Y HN 0.649 nan 8.280 nan 0.000 0.548 486 K N 0.958 121.458 120.400 0.166 0.000 2.545 486 K HA 0.451 4.771 4.320 0.001 0.000 0.252 486 K C -1.441 175.193 176.600 0.056 0.000 0.948 486 K CA -0.358 55.974 56.287 0.075 0.000 0.827 486 K CB 1.036 33.560 32.500 0.040 0.000 1.128 486 K HN 0.612 nan 8.250 nan 0.000 0.429 487 T N 4.836 119.402 114.554 0.020 0.000 2.829 487 T HA 0.529 4.879 4.350 0.001 0.000 0.282 487 T C -0.487 174.190 174.700 -0.038 0.000 0.990 487 T CA -0.476 61.620 62.100 -0.007 0.000 1.028 487 T CB 0.500 69.353 68.868 -0.025 0.000 0.951 487 T HN 0.420 nan 8.240 nan 0.000 0.460 488 I N 2.956 123.500 120.570 -0.044 0.000 2.410 488 I HA 0.369 4.539 4.170 0.001 0.000 0.286 488 I C -0.481 175.522 176.117 -0.191 0.000 1.009 488 I CA -0.682 60.519 61.300 -0.165 0.000 1.111 488 I CB 1.782 39.686 38.000 -0.160 0.000 1.262 488 I HN 0.302 nan 8.210 nan 0.000 0.443 489 V N 6.700 126.448 119.914 -0.276 0.000 2.347 489 V HA 0.426 4.547 4.120 0.001 0.000 0.280 489 V C -0.385 175.510 176.094 -0.331 0.000 1.021 489 V CA -0.553 61.652 62.300 -0.159 0.000 0.847 489 V CB 0.740 32.514 31.823 -0.081 0.000 0.990 489 V HN 0.346 nan 8.190 nan 0.000 0.444 490 F N 3.219 123.167 119.950 -0.002 0.000 2.404 490 F HA 0.478 5.005 4.527 0.001 0.000 0.339 490 F C 0.511 176.192 175.800 -0.199 0.000 1.105 490 F CA -0.492 57.434 58.000 -0.123 0.000 1.087 490 F CB 1.257 40.239 39.000 -0.031 0.000 1.143 490 F HN 0.467 nan 8.300 nan 0.000 0.491 491 N N 2.472 121.041 118.700 -0.219 0.000 2.476 491 N HA 0.210 4.951 4.740 0.001 0.000 0.257 491 N C -1.090 174.258 175.510 -0.269 0.000 0.970 491 N CA -0.465 52.495 53.050 -0.150 0.000 0.938 491 N CB 0.298 38.738 38.487 -0.078 0.000 1.144 491 N HN 0.452 nan 8.380 nan 0.000 0.500 492 Y N 1.477 121.922 120.300 0.242 0.000 2.681 492 Y HA 0.340 4.890 4.550 0.001 0.000 0.267 492 Y C 0.293 176.315 175.900 0.204 0.000 1.166 492 Y CA -0.548 57.694 58.100 0.237 0.000 1.209 492 Y CB 0.203 38.866 38.460 0.339 0.000 1.161 492 Y HN 0.243 nan 8.280 nan 0.000 0.534 493 K N 0.684 121.224 120.400 0.232 0.000 2.466 493 K HA 0.140 4.460 4.320 0.001 0.000 0.278 493 K C 1.232 177.921 176.600 0.149 0.000 1.048 493 K CA 1.093 57.482 56.287 0.171 0.000 1.088 493 K CB 0.003 32.563 32.500 0.100 0.000 0.884 493 K HN 0.605 nan 8.250 nan 0.000 0.478 494 G N 2.867 111.756 108.800 0.148 0.000 2.166 494 G HA2 -0.289 3.672 3.960 0.001 0.000 0.260 494 G HA3 -0.289 3.672 3.960 0.001 0.000 0.260 494 G C 0.498 175.465 174.900 0.113 0.000 0.986 494 G CA 0.206 45.374 45.100 0.112 0.000 0.683 494 G HN 0.545 nan 8.290 nan 0.000 0.527 495 K N 0.088 120.581 120.400 0.155 0.000 2.387 495 K HA 0.370 4.690 4.320 0.001 0.000 0.198 495 K C 1.771 178.420 176.600 0.082 0.000 1.022 495 K CA 0.490 56.856 56.287 0.133 0.000 1.128 495 K CB 0.064 32.686 32.500 0.203 0.000 0.853 495 K HN 1.392 nan 8.250 nan 0.000 0.523 496 G N 0.956 109.800 108.800 0.074 0.000 2.143 496 G HA2 -0.277 3.684 3.960 0.001 0.000 0.248 496 G HA3 -0.277 3.684 3.960 0.001 0.000 0.248 496 G C 0.939 175.795 174.900 -0.074 0.000 0.991 496 G CA 0.499 45.607 45.100 0.015 0.000 0.689 496 G HN 0.171 nan 8.290 nan 0.000 0.522 497 V N -0.639 119.198 119.914 -0.128 0.000 2.302 497 V HA 0.133 4.253 4.120 0.001 0.000 0.243 497 V C 1.597 177.384 176.094 -0.513 0.000 1.036 497 V CA 1.584 63.601 62.300 -0.471 0.000 1.020 497 V CB -0.185 31.122 31.823 -0.860 0.000 0.657 497 V HN 0.456 nan 8.190 nan 0.000 0.453 498 W N -0.209 121.064 121.300 -0.046 0.000 2.516 498 W HA 0.572 5.233 4.660 0.001 0.000 0.343 498 W C 0.205 176.710 176.519 -0.023 0.000 1.094 498 W CA -0.707 56.612 57.345 -0.042 0.000 1.250 498 W CB 1.174 30.610 29.460 -0.041 0.000 1.308 498 W HN -0.029 nan 8.180 nan 0.000 0.588 499 K N 0.842 121.355 120.400 0.189 0.000 2.526 499 K HA 0.476 4.796 4.320 0.001 0.000 0.214 499 K C -0.191 176.469 176.600 0.100 0.000 1.088 499 K CA 0.018 56.369 56.287 0.107 0.000 1.058 499 K CB -0.973 31.560 32.500 0.055 0.000 1.653 499 K HN 1.235 nan 8.250 nan 0.000 0.521 500 Y N -2.888 117.478 120.300 0.111 0.000 3.016 500 Y HA 0.240 4.790 4.550 0.001 0.000 0.152 500 Y C 0.175 176.089 175.900 0.023 0.000 1.832 500 Y CA 0.908 59.049 58.100 0.068 0.000 0.998 500 Y CB -2.504 35.989 38.460 0.054 0.000 1.507 500 Y HN 2.374 nan 8.280 nan 0.000 0.378 501 E N 0.000 120.187 120.200 -0.022 0.000 2.725 501 E HA 0.000 4.350 4.350 0.001 0.000 0.291 501 E CA 0.000 56.294 56.400 -0.178 0.000 0.976 501 E CB 0.000 29.648 29.700 -0.087 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440