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 2fug_1_C DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLXXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKXXXXXXXX DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERXXA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAXXWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.255 55.300 -0.075 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.094 0.000 1.302 2 V N 1.278 121.167 119.914 -0.042 0.000 3.170 2 V HA 0.521 4.641 4.120 0.000 0.000 0.309 2 V C -0.072 176.018 176.094 -0.007 0.000 1.071 2 V CA -0.528 61.761 62.300 -0.018 0.000 1.063 2 V CB 1.448 33.267 31.823 -0.007 0.000 1.123 2 V HN 0.737 nan 8.190 nan 0.000 0.464 3 R N 1.128 121.629 120.500 0.002 0.000 2.388 3 R HA 0.649 4.989 4.340 0.000 0.000 0.314 3 R C -1.702 174.608 176.300 0.016 0.000 0.959 3 R CA -0.447 55.659 56.100 0.010 0.000 0.851 3 R CB 1.727 32.029 30.300 0.003 0.000 1.168 3 R HN 0.470 nan 8.270 nan 0.000 0.472 4 V N 2.962 122.894 119.914 0.029 0.000 2.495 4 V HA 0.314 4.434 4.120 0.000 0.000 0.298 4 V C -0.080 176.025 176.094 0.019 0.000 1.031 4 V CA -0.919 61.399 62.300 0.029 0.000 0.871 4 V CB 1.994 33.844 31.823 0.044 0.000 0.988 4 V HN 0.594 nan 8.190 nan 0.000 0.432 5 K N 3.618 124.023 120.400 0.008 0.000 2.264 5 K HA 0.466 4.786 4.320 0.000 0.000 0.277 5 K C 0.309 176.891 176.600 -0.030 0.000 1.067 5 K CA -0.320 55.962 56.287 -0.009 0.000 0.900 5 K CB 1.495 33.992 32.500 -0.004 0.000 1.124 5 K HN 0.503 nan 8.250 nan 0.000 0.469 6 V N 4.273 124.136 119.914 -0.084 0.000 2.238 6 V HA -0.197 3.923 4.120 0.000 0.000 0.235 6 V C 1.382 177.348 176.094 -0.214 0.000 1.037 6 V CA 1.555 63.747 62.300 -0.180 0.000 0.991 6 V CB -0.238 31.393 31.823 -0.319 0.000 0.638 6 V HN 0.842 nan 8.190 nan 0.000 0.457 7 N N -0.370 118.142 118.700 -0.313 0.000 3.039 7 N HA 0.056 4.796 4.740 0.000 0.000 0.231 7 N C 0.983 176.440 175.510 -0.087 0.000 1.053 7 N CA 1.154 54.074 53.050 -0.217 0.000 1.191 7 N CB -0.082 38.196 38.487 -0.348 0.000 1.597 7 N HN 0.635 nan 8.380 nan 0.000 0.585 8 D N -0.813 119.550 120.400 -0.063 0.000 2.469 8 D HA 0.173 4.813 4.640 0.000 0.000 0.213 8 D C 0.321 176.627 176.300 0.011 0.000 1.135 8 D CA -0.033 53.969 54.000 0.003 0.000 0.834 8 D CB 0.638 41.464 40.800 0.043 0.000 1.009 8 D HN -0.078 nan 8.370 nan 0.000 0.507 9 R N 0.541 121.034 120.500 -0.011 0.000 2.393 9 R HA 0.605 4.945 4.340 0.000 0.000 0.310 9 R C -0.757 175.536 176.300 -0.011 0.000 0.968 9 R CA -0.614 55.495 56.100 0.016 0.000 0.867 9 R CB 1.319 31.669 30.300 0.083 0.000 1.124 9 R HN 0.046 nan 8.270 nan 0.000 0.450 10 I N 3.906 124.479 120.570 0.004 0.000 2.437 10 I HA 0.460 4.631 4.170 0.000 0.000 0.298 10 I C -0.615 175.513 176.117 0.019 0.000 0.984 10 I CA -0.998 60.306 61.300 0.007 0.000 1.214 10 I CB 1.932 39.936 38.000 0.006 0.000 1.365 10 I HN 0.236 nan 8.210 nan 0.000 0.469 11 V N 3.767 123.702 119.914 0.036 0.000 2.851 11 V HA 0.300 4.420 4.120 0.000 0.000 0.307 11 V C -0.712 175.431 176.094 0.081 0.000 1.129 11 V CA -0.950 61.392 62.300 0.070 0.000 0.932 11 V CB 2.078 33.974 31.823 0.120 0.000 1.024 11 V HN 0.561 nan 8.190 nan 0.000 0.426 12 E N 2.283 122.530 120.200 0.078 0.000 2.152 12 E HA 0.544 4.894 4.350 0.000 0.000 0.285 12 E C -0.882 175.733 176.600 0.026 0.000 1.043 12 E CA -0.062 56.360 56.400 0.036 0.000 0.839 12 E CB 2.178 31.886 29.700 0.014 0.000 1.069 12 E HN 0.491 nan 8.360 nan 0.000 0.399 13 V N 5.392 125.289 119.914 -0.029 0.000 2.808 13 V HA 0.338 4.458 4.120 0.000 0.000 0.308 13 V C -2.441 173.557 176.094 -0.159 0.000 1.099 13 V CA -2.364 59.855 62.300 -0.136 0.000 0.920 13 V CB 2.502 34.313 31.823 -0.020 0.000 1.014 13 V HN 0.459 nan 8.190 nan 0.000 0.425 14 P HA 0.053 nan 4.420 nan 0.000 0.269 14 P C -2.203 175.023 177.300 -0.124 0.000 1.200 14 P CA -0.428 62.510 63.100 -0.272 0.000 0.779 14 P CB -0.057 31.314 31.700 -0.547 0.000 0.841 15 P HA -0.150 nan 4.420 nan 0.000 0.215 15 P C 1.347 178.654 177.300 0.011 0.000 1.153 15 P CA 1.975 65.058 63.100 -0.028 0.000 0.853 15 P CB -0.570 31.114 31.700 -0.027 0.000 0.788 16 G N -0.593 108.223 108.800 0.028 0.000 3.262 16 G HA2 0.039 3.999 3.960 0.000 0.000 0.228 16 G HA3 0.039 3.999 3.960 0.000 0.000 0.228 16 G C 0.335 175.301 174.900 0.110 0.000 1.197 16 G CA -0.003 45.141 45.100 0.072 0.000 0.819 16 G HN 0.197 nan 8.290 nan 0.000 0.531 17 T N 0.397 115.021 114.554 0.116 0.000 2.900 17 T HA 0.318 4.669 4.350 0.000 0.000 0.307 17 T C 0.593 175.379 174.700 0.142 0.000 1.065 17 T CA 0.139 62.355 62.100 0.194 0.000 1.105 17 T CB 1.454 70.458 68.868 0.227 0.000 0.979 17 T HN 0.132 nan 8.240 nan 0.000 0.544 18 S N 1.363 117.146 115.700 0.138 0.000 2.499 18 S HA 0.204 4.674 4.470 0.000 0.000 0.279 18 S C 1.552 176.221 174.600 0.115 0.000 1.219 18 S CA -0.943 57.319 58.200 0.103 0.000 1.062 18 S CB 0.551 63.803 63.200 0.086 0.000 0.978 18 S HN 0.469 nan 8.310 nan 0.000 0.489 19 V N 6.717 126.687 119.914 0.093 0.000 2.313 19 V HA -0.292 3.829 4.120 0.000 0.000 0.253 19 V C 2.320 178.470 176.094 0.094 0.000 1.070 19 V CA 2.742 65.090 62.300 0.080 0.000 1.057 19 V CB -1.000 30.853 31.823 0.051 0.000 0.653 19 V HN 0.994 nan 8.190 nan 0.000 0.450 20 M N 0.608 120.280 119.600 0.120 0.000 2.443 20 M HA -0.272 4.208 4.480 0.000 0.000 0.267 20 M C 1.922 178.370 176.300 0.247 0.000 1.069 20 M CA 2.817 58.232 55.300 0.191 0.000 1.085 20 M CB -0.608 32.154 32.600 0.270 0.000 1.243 20 M HN 0.354 nan 8.290 nan 0.000 0.464 21 D N 0.681 121.211 120.400 0.218 0.000 2.191 21 D HA -0.223 4.417 4.640 0.000 0.000 0.195 21 D C 1.876 178.344 176.300 0.280 0.000 1.003 21 D CA 1.884 55.976 54.000 0.154 0.000 0.867 21 D CB -0.416 40.207 40.800 -0.295 0.000 0.926 21 D HN 0.570 nan 8.370 nan 0.000 0.450 22 A N 0.411 123.379 122.820 0.246 0.000 1.849 22 A HA -0.223 4.097 4.320 0.000 0.000 0.217 22 A C 2.451 180.163 177.584 0.214 0.000 1.202 22 A CA 1.808 54.004 52.037 0.266 0.000 0.629 22 A CB -1.116 17.982 19.000 0.162 0.000 0.834 22 A HN 0.141 nan 8.150 nan 0.000 0.447 23 V N -1.123 118.843 119.914 0.086 0.000 2.215 23 V HA -0.323 3.797 4.120 0.000 0.000 0.249 23 V C 2.330 178.413 176.094 -0.018 0.000 1.054 23 V CA 2.571 64.854 62.300 -0.029 0.000 1.012 23 V CB -1.139 30.586 31.823 -0.164 0.000 0.639 23 V HN 0.558 nan 8.190 nan 0.000 0.448 24 F N -0.196 119.740 119.950 -0.023 0.000 2.236 24 F HA -0.215 4.312 4.527 0.000 0.000 0.302 24 F C 2.336 177.913 175.800 -0.372 0.000 1.073 24 F CA 2.089 59.909 58.000 -0.300 0.000 1.336 24 F CB -0.724 37.865 39.000 -0.685 0.000 1.040 24 F HN 0.340 nan 8.300 nan 0.000 0.507 25 H N -0.239 118.837 119.070 0.010 0.000 2.333 25 H HA 0.072 4.628 4.556 0.000 0.000 0.302 25 H C 2.161 177.593 175.328 0.174 0.000 1.075 25 H CA 1.346 57.541 56.048 0.246 0.000 1.348 25 H CB -0.416 29.606 29.762 0.432 0.000 1.393 25 H HN 0.057 nan 8.280 nan 0.000 0.509 26 A N -0.233 122.648 122.820 0.101 0.000 2.131 26 A HA 0.111 4.431 4.320 0.000 0.000 0.220 26 A C 1.774 179.454 177.584 0.161 0.000 1.158 26 A CA 1.278 53.352 52.037 0.062 0.000 0.665 26 A CB -1.038 18.009 19.000 0.077 0.000 0.795 26 A HN 0.927 nan 8.150 nan 0.000 0.460 27 G N -2.966 105.919 108.800 0.142 0.000 2.270 27 G HA2 -0.179 3.781 3.960 0.000 0.000 0.224 27 G HA3 -0.179 3.781 3.960 0.000 0.000 0.224 27 G C -0.253 174.652 174.900 0.008 0.000 1.079 27 G CA 0.215 45.362 45.100 0.078 0.000 0.807 27 G HN 0.420 nan 8.290 nan 0.000 0.492 28 Y N 0.099 120.335 120.300 -0.106 0.000 3.013 28 Y HA 0.731 5.282 4.550 0.000 0.000 0.310 28 Y C 0.405 176.109 175.900 -0.327 0.000 1.450 28 Y CA -0.359 57.647 58.100 -0.158 0.000 1.091 28 Y CB 1.198 39.562 38.460 -0.161 0.000 1.373 28 Y HN 0.337 nan 8.280 nan 0.000 0.590 29 D N -0.660 119.654 120.400 -0.145 0.000 2.579 29 D HA 0.592 5.232 4.640 0.000 0.000 0.257 29 D C -1.708 174.504 176.300 -0.146 0.000 1.176 29 D CA -0.661 53.183 54.000 -0.261 0.000 0.914 29 D CB 2.082 42.979 40.800 0.162 0.000 1.431 29 D HN 0.443 nan 8.370 nan 0.000 0.454 30 V N -0.143 119.765 119.914 -0.010 0.000 2.963 30 V HA 0.275 4.395 4.120 0.000 0.000 0.272 30 V C -2.871 173.200 176.094 -0.038 0.000 1.559 30 V CA -1.382 60.865 62.300 -0.088 0.000 0.959 30 V CB 2.432 34.172 31.823 -0.139 0.000 1.202 30 V HN 0.430 nan 8.190 nan 0.000 0.447 31 P HA 0.049 nan 4.420 nan 0.000 0.247 31 P C -0.710 176.607 177.300 0.029 0.000 1.147 31 P CA 0.272 63.210 63.100 -0.270 0.000 0.964 31 P CB -0.109 31.257 31.700 -0.555 0.000 0.944 32 L N 4.808 126.156 121.223 0.208 0.000 2.281 32 L HA 0.244 4.584 4.340 0.000 0.000 0.285 32 L C 0.168 177.259 176.870 0.368 0.000 1.074 32 L CA 0.506 55.453 54.840 0.178 0.000 0.817 32 L CB 0.120 42.159 42.059 -0.033 0.000 1.168 32 L HN 0.361 nan 8.230 nan 0.000 0.434 33 F N 2.312 122.239 119.950 -0.039 0.000 2.244 33 F HA -0.003 4.524 4.527 0.000 0.000 0.272 33 F C 1.981 177.782 175.800 0.001 0.000 0.882 33 F CA 0.507 58.495 58.000 -0.020 0.000 1.101 33 F CB -0.121 38.875 39.000 -0.006 0.000 1.097 33 F HN 0.607 nan 8.300 nan 0.000 0.762 34 C N -0.778 118.650 119.300 0.214 0.000 2.551 34 C HA 0.355 4.815 4.460 0.000 0.000 0.277 34 C C 1.421 176.469 174.990 0.097 0.000 1.349 34 C CA -0.231 58.872 59.018 0.142 0.000 1.750 34 C CB -1.114 26.714 27.740 0.146 0.000 2.058 34 C HN 0.172 nan 8.230 nan 0.000 0.518 35 S N 1.292 117.043 115.700 0.085 0.000 2.608 35 S HA 0.506 4.976 4.470 0.000 0.000 0.261 35 S C -0.451 174.167 174.600 0.029 0.000 1.314 35 S CA 0.243 58.486 58.200 0.071 0.000 0.992 35 S CB 0.735 63.986 63.200 0.086 0.000 0.935 35 S HN 0.791 nan 8.310 nan 0.000 0.564 36 E N 0.177 120.412 120.200 0.059 0.000 2.431 36 E HA 0.204 4.554 4.350 0.000 0.000 0.287 36 E C -1.765 174.913 176.600 0.130 0.000 1.032 36 E CA -0.507 55.922 56.400 0.049 0.000 0.839 36 E CB 0.597 30.340 29.700 0.073 0.000 1.218 36 E HN 0.411 nan 8.360 nan 0.000 0.424 37 K N 2.673 123.161 120.400 0.147 0.000 2.550 37 K HA 0.051 4.371 4.320 0.000 0.000 0.280 37 K C -0.369 176.411 176.600 0.300 0.000 0.987 37 K CA 1.014 57.417 56.287 0.194 0.000 1.048 37 K CB -0.144 32.494 32.500 0.231 0.000 0.879 37 K HN 0.747 nan 8.250 nan 0.000 0.491 38 H N -1.479 117.661 119.070 0.117 0.000 3.641 38 H HA -0.190 4.366 4.556 0.000 0.000 0.193 38 H C -0.634 174.834 175.328 0.234 0.000 1.013 38 H CA 1.108 57.273 56.048 0.196 0.000 1.212 38 H CB -1.480 28.466 29.762 0.307 0.000 1.089 38 H HN 0.375 nan 8.280 nan 0.000 0.339 39 L N 0.445 121.827 121.223 0.265 0.000 2.319 39 L HA 0.451 4.791 4.340 0.000 0.000 0.267 39 L C 0.411 177.358 176.870 0.128 0.000 1.011 39 L CA -0.733 54.231 54.840 0.207 0.000 0.818 39 L CB 1.738 43.928 42.059 0.219 0.000 1.316 39 L HN 0.202 nan 8.230 nan 0.000 0.432 40 S N 1.816 117.575 115.700 0.099 0.000 2.509 40 S HA 0.189 4.659 4.470 0.000 0.000 0.287 40 S C -2.280 172.367 174.600 0.078 0.000 1.248 40 S CA -1.107 57.136 58.200 0.073 0.000 1.089 40 S CB -0.203 63.030 63.200 0.055 0.000 0.900 40 S HN 0.322 nan 8.310 nan 0.000 0.496 41 P HA 0.272 nan 4.420 nan 0.000 0.268 41 P C -0.061 177.280 177.300 0.068 0.000 1.205 41 P CA -0.270 62.877 63.100 0.077 0.000 0.771 41 P CB 0.376 32.121 31.700 0.076 0.000 0.858 42 I N -2.271 118.342 120.570 0.072 0.000 3.095 42 I HA 0.575 4.745 4.170 0.000 0.000 0.310 42 I C 1.038 177.190 176.117 0.058 0.000 1.196 42 I CA -1.191 60.147 61.300 0.064 0.000 0.985 42 I CB 1.687 39.731 38.000 0.074 0.000 1.250 42 I HN 0.295 nan 8.210 nan 0.000 0.446 43 G N 1.844 110.670 108.800 0.043 0.000 2.484 43 G HA2 0.207 4.167 3.960 0.000 0.000 0.218 43 G HA3 0.207 4.167 3.960 0.000 0.000 0.218 43 G C 0.832 175.750 174.900 0.030 0.000 1.130 43 G CA 0.496 45.615 45.100 0.031 0.000 0.784 43 G HN 0.991 nan 8.290 nan 0.000 0.543 44 A N -0.634 122.209 122.820 0.039 0.000 2.583 44 A HA 0.308 4.628 4.320 0.000 0.000 0.231 44 A C 1.555 179.170 177.584 0.052 0.000 1.065 44 A CA 0.758 52.818 52.037 0.037 0.000 0.760 44 A CB -0.586 18.449 19.000 0.057 0.000 1.001 44 A HN 2.040 nan 8.150 nan 0.000 0.509 45 C N 1.547 120.871 119.300 0.041 0.000 4.024 45 C HA -0.097 4.363 4.460 0.000 0.000 0.310 45 C C 0.551 175.537 174.990 -0.008 0.000 1.182 45 C CA 0.040 59.084 59.018 0.043 0.000 2.238 45 C CB -2.717 25.104 27.740 0.136 0.000 1.361 45 C HN 0.875 nan 8.230 nan 0.000 0.626 46 R N 1.728 122.212 120.500 -0.025 0.000 4.330 46 R HA 0.007 4.347 4.340 0.000 0.000 0.161 46 R C 1.488 177.738 176.300 -0.084 0.000 1.942 46 R CA 0.660 56.736 56.100 -0.040 0.000 1.438 46 R CB 0.001 30.284 30.300 -0.030 0.000 1.348 46 R HN 0.747 nan 8.270 nan 0.000 0.793 47 M N -0.546 118.989 119.600 -0.108 0.000 2.718 47 M HA -0.021 4.460 4.480 0.000 0.000 0.259 47 M C 1.960 178.159 176.300 -0.169 0.000 1.240 47 M CA 0.765 55.950 55.300 -0.192 0.000 1.210 47 M CB -0.596 31.831 32.600 -0.288 0.000 1.281 47 M HN 0.400 nan 8.290 nan 0.000 0.515 48 C N 2.292 121.542 119.300 -0.084 0.000 2.376 48 C HA 0.390 4.850 4.460 0.000 0.000 0.407 48 C C 0.970 175.921 174.990 -0.065 0.000 1.303 48 C CA -1.129 57.856 59.018 -0.056 0.000 1.572 48 C CB -2.502 25.260 27.740 0.036 0.000 1.706 48 C HN 0.231 nan 8.230 nan 0.000 0.593 49 L N 1.579 122.742 121.223 -0.099 0.000 2.467 49 L HA 0.517 4.857 4.340 0.000 0.000 0.270 49 L C 0.530 177.337 176.870 -0.106 0.000 1.205 49 L CA 0.366 55.151 54.840 -0.092 0.000 0.828 49 L CB 0.967 42.964 42.059 -0.103 0.000 1.101 49 L HN 0.517 nan 8.230 nan 0.000 0.479 50 V N 0.470 120.324 119.914 -0.100 0.000 3.230 50 V HA 0.576 4.696 4.120 0.000 0.000 0.302 50 V C -1.051 174.959 176.094 -0.140 0.000 1.421 50 V CA -1.165 61.064 62.300 -0.119 0.000 1.065 50 V CB 2.102 33.868 31.823 -0.095 0.000 1.097 50 V HN 0.794 nan 8.190 nan 0.000 0.460 51 R N 0.536 120.919 120.500 -0.195 0.000 2.494 51 R HA 0.847 5.187 4.340 0.000 0.000 0.305 51 R C -1.428 174.754 176.300 -0.197 0.000 0.959 51 R CA -0.650 55.285 56.100 -0.274 0.000 0.864 51 R CB 1.609 31.604 30.300 -0.508 0.000 1.159 51 R HN 0.864 nan 8.270 nan 0.000 0.446 52 I N 1.569 122.103 120.570 -0.060 0.000 3.108 52 I HA 0.696 4.866 4.170 0.000 0.000 0.312 52 I C 0.151 176.490 176.117 0.370 0.000 1.095 52 I CA -0.929 60.446 61.300 0.125 0.000 1.000 52 I CB 2.605 40.652 38.000 0.078 0.000 1.229 52 I HN 0.824 nan 8.210 nan 0.000 0.454 53 G N 2.759 111.793 108.800 0.391 0.000 2.506 53 G HA2 0.545 4.505 3.960 0.000 0.000 0.292 53 G HA3 0.545 4.505 3.960 0.000 0.000 0.292 53 G C -2.235 172.711 174.900 0.076 0.000 1.425 53 G CA -0.294 44.985 45.100 0.298 0.000 0.788 53 G HN 0.399 nan 8.290 nan 0.000 0.490 74 Q N 4.157 123.800 119.800 -0.262 0.000 2.325 74 Q HA 0.452 4.793 4.340 0.000 0.000 0.262 74 Q C -1.657 174.329 176.000 -0.024 0.000 0.968 74 Q CA -0.600 55.106 55.803 -0.161 0.000 0.877 74 Q CB 1.263 29.967 28.738 -0.056 0.000 1.253 74 Q HN 0.798 nan 8.270 nan 0.000 0.448 75 W N 4.534 125.826 121.300 -0.014 0.000 2.485 75 W HA 0.104 4.764 4.660 0.000 0.000 0.315 75 W C 0.422 176.932 176.519 -0.015 0.000 1.304 75 W CA -1.056 56.279 57.345 -0.016 0.000 1.345 75 W CB 0.798 30.248 29.460 -0.017 0.000 1.368 75 W HN 0.340 nan 8.180 nan 0.000 0.497 76 Q N 3.808 123.772 119.800 0.273 0.000 2.308 76 Q HA -0.125 4.215 4.340 0.000 0.000 0.313 76 Q C -1.153 174.898 176.000 0.086 0.000 1.075 76 Q CA -0.040 55.841 55.803 0.129 0.000 0.995 76 Q CB 0.286 29.077 28.738 0.089 0.000 1.107 76 Q HN 0.343 nan 8.270 nan 0.000 0.380 77 P HA -0.217 nan 4.420 nan 0.000 0.217 77 P C -0.265 177.040 177.300 0.008 0.000 1.158 77 P CA 1.913 65.035 63.100 0.036 0.000 0.887 77 P CB 0.235 31.951 31.700 0.027 0.000 0.792 78 K N -1.359 119.040 120.400 -0.001 0.000 2.375 78 K HA 0.456 4.776 4.320 0.000 0.000 0.249 78 K C -0.468 176.110 176.600 -0.036 0.000 0.942 78 K CA -1.062 55.211 56.287 -0.023 0.000 0.806 78 K CB 1.466 33.955 32.500 -0.018 0.000 1.227 78 K HN -0.166 nan 8.250 nan 0.000 0.430 79 L N 1.289 122.476 121.223 -0.060 0.000 2.503 79 L HA 0.154 4.494 4.340 0.000 0.000 0.287 79 L C 0.370 177.210 176.870 -0.049 0.000 1.252 79 L CA 0.090 54.885 54.840 -0.075 0.000 0.835 79 L CB 0.244 42.250 42.059 -0.089 0.000 1.099 79 L HN 0.901 nan 8.230 nan 0.000 0.516 80 A N 1.404 124.195 122.820 -0.048 0.000 2.386 80 A HA 0.798 5.118 4.320 0.000 0.000 0.308 80 A C -0.356 177.213 177.584 -0.025 0.000 1.128 80 A CA -0.471 51.550 52.037 -0.026 0.000 0.789 80 A CB 1.439 20.433 19.000 -0.011 0.000 1.325 80 A HN 0.755 nan 8.150 nan 0.000 0.437 81 A N 0.948 123.762 122.820 -0.009 0.000 2.666 81 A HA 0.438 4.758 4.320 0.000 0.000 0.301 81 A C 1.302 178.896 177.584 0.017 0.000 1.470 81 A CA 0.534 52.572 52.037 0.001 0.000 1.159 81 A CB -0.687 18.319 19.000 0.010 0.000 1.116 81 A HN 1.593 nan 8.150 nan 0.000 0.548 82 S N 1.363 117.070 115.700 0.012 0.000 2.461 82 S HA -0.227 4.243 4.470 0.000 0.000 0.246 82 S C 1.655 176.297 174.600 0.070 0.000 1.007 82 S CA 2.072 60.291 58.200 0.032 0.000 0.976 82 S CB -0.762 62.450 63.200 0.019 0.000 0.763 82 S HN 1.245 nan 8.310 nan 0.000 0.508 83 C N -0.306 119.039 119.300 0.074 0.000 2.735 83 C HA 0.507 4.967 4.460 0.000 0.000 0.271 83 C C 1.905 176.942 174.990 0.078 0.000 1.281 83 C CA 0.262 59.339 59.018 0.099 0.000 1.719 83 C CB -0.966 26.840 27.740 0.110 0.000 2.024 83 C HN 0.516 nan 8.230 nan 0.000 0.566 84 V N -1.866 118.083 119.914 0.058 0.000 3.477 84 V HA 0.301 4.421 4.120 0.000 0.000 0.297 84 V C 0.386 176.505 176.094 0.043 0.000 1.433 84 V CA 0.372 62.701 62.300 0.049 0.000 1.052 84 V CB -0.817 31.030 31.823 0.040 0.000 0.895 84 V HN 0.393 nan 8.190 nan 0.000 0.438 85 T N 2.994 117.574 114.554 0.044 0.000 2.806 85 T HA 0.760 5.110 4.350 0.000 0.000 0.290 85 T C 0.347 175.076 174.700 0.048 0.000 0.966 85 T CA 0.552 62.676 62.100 0.039 0.000 1.060 85 T CB 1.364 70.251 68.868 0.031 0.000 0.927 85 T HN 0.740 nan 8.240 nan 0.000 0.485 86 A N 2.893 125.739 122.820 0.044 0.000 2.304 86 A HA 0.691 5.011 4.320 0.000 0.000 0.271 86 A C 0.569 178.182 177.584 0.048 0.000 1.091 86 A CA -0.719 51.348 52.037 0.049 0.000 0.812 86 A CB 0.248 19.272 19.000 0.041 0.000 1.056 86 A HN 0.851 nan 8.150 nan 0.000 0.489 87 V N -1.605 118.342 119.914 0.054 0.000 2.997 87 V HA 0.864 4.984 4.120 0.000 0.000 0.311 87 V C 0.255 176.370 176.094 0.036 0.000 1.066 87 V CA -0.148 62.182 62.300 0.050 0.000 1.039 87 V CB 0.957 32.818 31.823 0.063 0.000 1.081 87 V HN 1.737 nan 8.190 nan 0.000 0.467 88 A N 1.291 124.130 122.820 0.031 0.000 2.498 88 A HA 0.551 4.871 4.320 0.000 0.000 0.298 88 A C -0.580 177.013 177.584 0.016 0.000 1.075 88 A CA -0.635 51.414 52.037 0.021 0.000 0.714 88 A CB 1.417 20.430 19.000 0.021 0.000 1.299 88 A HN 0.946 nan 8.150 nan 0.000 0.407 89 D N 0.731 121.136 120.400 0.008 0.000 2.450 89 D HA 0.355 4.995 4.640 0.000 0.000 0.247 89 D C 1.358 177.659 176.300 0.002 0.000 1.162 89 D CA 2.266 56.268 54.000 0.003 0.000 0.879 89 D CB 0.581 41.379 40.800 -0.002 0.000 1.163 89 D HN 1.479 nan 8.370 nan 0.000 0.472 90 G N 3.618 112.419 108.800 0.002 0.000 2.143 90 G HA2 -0.301 3.659 3.960 0.000 0.000 0.249 90 G HA3 -0.301 3.659 3.960 0.000 0.000 0.249 90 G C 0.570 175.471 174.900 0.001 0.000 0.981 90 G CA 0.450 45.548 45.100 -0.004 0.000 0.665 90 G HN 0.577 nan 8.290 nan 0.000 0.528 91 M N 0.796 120.405 119.600 0.015 0.000 2.243 91 M HA 0.539 5.019 4.480 0.000 0.000 0.341 91 M C -0.079 176.246 176.300 0.042 0.000 1.130 91 M CA -0.026 55.294 55.300 0.032 0.000 1.162 91 M CB 0.993 33.617 32.600 0.039 0.000 1.497 91 M HN 0.004 nan 8.290 nan 0.000 0.456 92 V N 5.446 125.408 119.914 0.080 0.000 2.409 92 V HA 0.401 4.521 4.120 0.000 0.000 0.291 92 V C -0.806 175.389 176.094 0.168 0.000 1.020 92 V CA -0.699 61.674 62.300 0.121 0.000 0.848 92 V CB 1.672 33.587 31.823 0.153 0.000 0.990 92 V HN 0.660 nan 8.190 nan 0.000 0.430 93 V N 4.553 124.508 119.914 0.068 0.000 2.305 93 V HA 0.279 4.399 4.120 0.000 0.000 0.275 93 V C -0.222 175.832 176.094 -0.067 0.000 1.020 93 V CA -0.643 61.658 62.300 0.003 0.000 0.811 93 V CB 1.469 33.274 31.823 -0.029 0.000 1.031 93 V HN 1.045 nan 8.190 nan 0.000 0.439 94 D N 2.922 123.265 120.400 -0.096 0.000 2.264 94 D HA 0.326 4.966 4.640 0.000 0.000 0.250 94 D C 0.891 177.091 176.300 -0.166 0.000 1.113 94 D CA 0.012 53.928 54.000 -0.141 0.000 0.871 94 D CB 1.885 42.578 40.800 -0.178 0.000 1.167 94 D HN 0.543 nan 8.370 nan 0.000 0.447 95 T N 1.179 115.652 114.554 -0.136 0.000 3.252 95 T HA 0.224 4.574 4.350 0.000 0.000 0.286 95 T C 0.409 175.086 174.700 -0.038 0.000 1.013 95 T CA -0.395 61.649 62.100 -0.093 0.000 0.914 95 T CB -0.238 68.590 68.868 -0.066 0.000 1.131 95 T HN 0.336 nan 8.240 nan 0.000 0.529 96 L N 0.078 121.270 121.223 -0.053 0.000 3.360 96 L HA 0.481 4.821 4.340 0.000 0.000 0.303 96 L C 0.600 177.434 176.870 -0.060 0.000 1.218 96 L CA -0.343 54.483 54.840 -0.024 0.000 1.059 96 L CB 0.202 42.276 42.059 0.026 0.000 1.468 96 L HN 0.024 nan 8.230 nan 0.000 0.614 97 S N 1.095 116.732 115.700 -0.105 0.000 2.558 97 S HA -0.026 4.444 4.470 0.000 0.000 0.288 97 S C 0.973 175.497 174.600 -0.126 0.000 1.318 97 S CA -0.164 57.966 58.200 -0.118 0.000 1.056 97 S CB 0.562 63.649 63.200 -0.189 0.000 0.853 97 S HN 0.280 nan 8.310 nan 0.000 0.505 98 D N 1.685 122.028 120.400 -0.095 0.000 2.239 98 D HA -0.121 4.519 4.640 0.000 0.000 0.202 98 D C 1.768 177.952 176.300 -0.194 0.000 0.993 98 D CA 1.038 54.971 54.000 -0.110 0.000 0.874 98 D CB -0.009 40.781 40.800 -0.016 0.000 0.922 98 D HN 0.297 nan 8.370 nan 0.000 0.464 99 V N 0.653 120.469 119.914 -0.163 0.000 2.488 99 V HA -0.154 3.966 4.120 0.000 0.000 0.246 99 V C 2.661 178.632 176.094 -0.205 0.000 1.046 99 V CA 0.691 62.889 62.300 -0.171 0.000 1.053 99 V CB -0.156 31.578 31.823 -0.148 0.000 0.679 99 V HN 0.035 nan 8.190 nan 0.000 0.458 100 V N 0.009 119.801 119.914 -0.204 0.000 2.295 100 V HA -0.259 3.861 4.120 0.000 0.000 0.246 100 V C 2.620 178.591 176.094 -0.205 0.000 1.049 100 V CA 2.086 64.272 62.300 -0.190 0.000 1.024 100 V CB -0.735 30.986 31.823 -0.169 0.000 0.648 100 V HN 0.458 nan 8.190 nan 0.000 0.447 101 R N -0.150 120.204 120.500 -0.244 0.000 2.070 101 R HA -0.224 4.116 4.340 0.000 0.000 0.233 101 R C 2.411 178.442 176.300 -0.448 0.000 1.137 101 R CA 1.862 57.788 56.100 -0.289 0.000 0.945 101 R CB -0.452 29.657 30.300 -0.319 0.000 0.845 101 R HN 0.652 nan 8.270 nan 0.000 0.430 102 E N 0.497 120.283 120.200 -0.690 0.000 2.233 102 E HA -0.240 4.110 4.350 0.000 0.000 0.199 102 E C 1.653 178.104 176.600 -0.249 0.000 1.004 102 E CA 1.344 57.398 56.400 -0.578 0.000 0.819 102 E CB 0.026 29.515 29.700 -0.352 0.000 0.738 102 E HN 0.400 nan 8.360 nan 0.000 0.478 103 A N 0.765 123.452 122.820 -0.222 0.000 1.843 103 A HA -0.186 4.134 4.320 0.000 0.000 0.213 103 A C 2.106 179.592 177.584 -0.162 0.000 1.202 103 A CA 1.366 53.308 52.037 -0.158 0.000 0.607 103 A CB -0.569 18.345 19.000 -0.143 0.000 0.847 103 A HN 0.354 nan 8.150 nan 0.000 0.445 104 Q N -0.041 119.654 119.800 -0.175 0.000 2.045 104 Q HA -0.223 4.117 4.340 0.000 0.000 0.206 104 Q C 2.360 178.271 176.000 -0.148 0.000 0.991 104 Q CA 1.634 57.326 55.803 -0.186 0.000 0.851 104 Q CB -0.629 27.989 28.738 -0.199 0.000 0.911 104 Q HN 0.624 nan 8.270 nan 0.000 0.418 105 A N 1.640 124.393 122.820 -0.112 0.000 1.896 105 A HA -0.246 4.074 4.320 0.000 0.000 0.220 105 A C 2.379 179.880 177.584 -0.138 0.000 1.206 105 A CA 2.187 54.186 52.037 -0.064 0.000 0.647 105 A CB -1.619 17.378 19.000 -0.005 0.000 0.828 105 A HN 0.534 nan 8.150 nan 0.000 0.455 106 G N -1.465 107.216 108.800 -0.198 0.000 2.453 106 G HA2 -0.201 3.759 3.960 0.000 0.000 0.215 106 G HA3 -0.201 3.759 3.960 0.000 0.000 0.215 106 G C 1.478 176.101 174.900 -0.462 0.000 1.201 106 G CA 1.559 46.433 45.100 -0.377 0.000 0.784 106 G HN 0.354 nan 8.290 nan 0.000 0.545 107 M N 0.404 119.867 119.600 -0.229 0.000 2.089 107 M HA -0.102 4.378 4.480 0.000 0.000 0.257 107 M C 2.694 178.913 176.300 -0.135 0.000 1.071 107 M CA 1.023 56.263 55.300 -0.099 0.000 1.096 107 M CB -0.798 31.730 32.600 -0.119 0.000 1.330 107 M HN 0.076 nan 8.290 nan 0.000 0.403 108 V N -0.198 119.606 119.914 -0.183 0.000 2.252 108 V HA -0.343 3.777 4.120 0.000 0.000 0.249 108 V C 2.265 178.303 176.094 -0.093 0.000 1.056 108 V CA 2.398 64.612 62.300 -0.143 0.000 1.022 108 V CB -1.015 30.753 31.823 -0.091 0.000 0.641 108 V HN 0.633 nan 8.190 nan 0.000 0.445 109 E N -0.241 119.861 120.200 -0.164 0.000 2.136 109 E HA -0.285 4.065 4.350 0.000 0.000 0.202 109 E C 1.999 178.553 176.600 -0.077 0.000 1.019 109 E CA 2.204 58.504 56.400 -0.167 0.000 0.819 109 E CB -0.249 29.250 29.700 -0.335 0.000 0.739 109 E HN 0.526 nan 8.360 nan 0.000 0.458 110 F N 0.820 120.736 119.950 -0.056 0.000 2.084 110 F HA -0.089 4.439 4.527 0.000 0.000 0.296 110 F C 2.671 178.443 175.800 -0.047 0.000 1.111 110 F CA 1.532 59.484 58.000 -0.081 0.000 1.224 110 F CB -1.251 37.689 39.000 -0.099 0.000 0.991 110 F HN 0.027 nan 8.300 nan 0.000 0.471 111 T N 1.085 115.734 114.554 0.159 0.000 2.653 111 T HA -0.218 4.132 4.350 0.000 0.000 0.268 111 T C 2.272 177.047 174.700 0.125 0.000 1.035 111 T CA 1.530 63.694 62.100 0.106 0.000 1.154 111 T CB -0.585 68.288 68.868 0.009 0.000 0.862 111 T HN 0.141 nan 8.240 nan 0.000 0.441 112 L N 0.236 121.523 121.223 0.107 0.000 2.156 112 L HA 0.060 4.400 4.340 0.000 0.000 0.208 112 L C 2.467 179.474 176.870 0.229 0.000 1.095 112 L CA 0.524 55.452 54.840 0.147 0.000 0.770 112 L CB -0.658 41.477 42.059 0.128 0.000 0.914 112 L HN 0.258 nan 8.230 nan 0.000 0.439 113 L N 0.432 121.772 121.223 0.195 0.000 2.082 113 L HA -0.338 4.002 4.340 0.000 0.000 0.223 113 L C 1.832 178.903 176.870 0.336 0.000 1.086 113 L CA 1.950 56.914 54.840 0.206 0.000 0.793 113 L CB -0.303 41.739 42.059 -0.029 0.000 0.896 113 L HN 0.357 nan 8.230 nan 0.000 0.441 114 N N -2.137 116.726 118.700 0.271 0.000 2.203 114 N HA 0.011 4.751 4.740 0.000 0.000 0.207 114 N C -0.049 175.650 175.510 0.314 0.000 1.130 114 N CA -0.075 53.157 53.050 0.303 0.000 0.861 114 N CB -0.082 38.533 38.487 0.213 0.000 1.005 114 N HN 0.442 nan 8.380 nan 0.000 0.507 115 H N 1.488 120.681 119.070 0.205 0.000 2.801 115 H HA 0.084 4.640 4.556 0.000 0.000 0.377 115 H C -1.178 174.258 175.328 0.181 0.000 1.304 115 H CA -0.443 55.713 56.048 0.181 0.000 1.451 115 H CB 0.912 30.775 29.762 0.168 0.000 1.474 115 H HN 0.032 nan 8.280 nan 0.000 0.620 116 P HA 0.110 nan 4.420 nan 0.000 0.252 116 P C -0.588 176.727 177.300 0.025 0.000 1.211 116 P CA 0.437 63.518 63.100 -0.032 0.000 0.824 116 P CB 1.344 32.986 31.700 -0.095 0.000 1.077 117 L N 0.184 121.435 121.223 0.047 0.000 3.223 117 L HA -0.099 4.241 4.340 0.000 0.000 0.573 117 L C -0.431 176.474 176.870 0.057 0.000 1.328 117 L CA -0.022 54.868 54.840 0.083 0.000 0.992 117 L CB -2.287 39.815 42.059 0.071 0.000 1.794 117 L HN -0.007 nan 8.230 nan 0.000 0.823 118 D N -1.196 119.240 120.400 0.060 0.000 2.441 118 D HA 0.164 4.804 4.640 0.000 0.000 0.210 118 D C 1.743 178.092 176.300 0.082 0.000 1.102 118 D CA 0.434 54.471 54.000 0.060 0.000 0.840 118 D CB 0.252 41.083 40.800 0.052 0.000 0.990 118 D HN 0.529 nan 8.370 nan 0.000 0.505 119 C N 2.218 121.583 119.300 0.109 0.000 2.294 119 C HA -0.224 4.236 4.460 0.000 0.000 0.265 119 C C 0.140 175.185 174.990 0.092 0.000 1.115 119 C CA 1.513 60.600 59.018 0.115 0.000 1.809 119 C CB -1.670 26.141 27.740 0.119 0.000 2.010 119 C HN 0.387 nan 8.230 nan 0.000 0.425 120 P HA -0.102 nan 4.420 nan 0.000 0.216 120 P C 1.211 178.515 177.300 0.006 0.000 1.150 120 P CA 2.222 65.353 63.100 0.050 0.000 0.837 120 P CB -0.392 31.328 31.700 0.032 0.000 0.786 121 T N -0.775 113.780 114.554 0.001 0.000 2.985 121 T HA -0.020 4.330 4.350 0.000 0.000 0.266 121 T C 1.180 175.882 174.700 0.003 0.000 1.076 121 T CA 0.253 62.330 62.100 -0.039 0.000 1.135 121 T CB -0.831 68.039 68.868 0.004 0.000 0.890 121 T HN 0.200 nan 8.240 nan 0.000 0.480 122 C N 3.096 122.438 119.300 0.069 0.000 2.653 122 C HA 0.087 4.547 4.460 0.000 0.000 0.421 122 C C 1.677 176.738 174.990 0.118 0.000 1.334 122 C CA -0.568 58.524 59.018 0.124 0.000 1.885 122 C CB -0.350 27.465 27.740 0.125 0.000 2.645 122 C HN 0.390 nan 8.230 nan 0.000 0.601 123 D N 2.017 122.526 120.400 0.181 0.000 2.363 123 D HA -0.018 4.622 4.640 0.000 0.000 0.226 123 D C 1.698 178.046 176.300 0.081 0.000 1.020 123 D CA 0.650 54.740 54.000 0.149 0.000 0.892 123 D CB 0.069 40.999 40.800 0.217 0.000 0.900 123 D HN 0.541 nan 8.370 nan 0.000 0.531 124 K N 0.526 120.981 120.400 0.091 0.000 2.486 124 K HA 0.035 4.355 4.320 0.000 0.000 0.194 124 K C 1.248 177.899 176.600 0.086 0.000 1.033 124 K CA 0.265 56.599 56.287 0.079 0.000 1.004 124 K CB -0.312 32.242 32.500 0.090 0.000 0.798 124 K HN 0.182 nan 8.250 nan 0.000 0.495 125 G N 0.312 109.165 108.800 0.089 0.000 2.582 125 G HA2 -0.354 3.606 3.960 0.000 0.000 0.369 125 G HA3 -0.354 3.606 3.960 0.000 0.000 0.369 125 G C 0.885 175.936 174.900 0.252 0.000 1.370 125 G CA 0.534 45.727 45.100 0.156 0.000 0.955 125 G HN 0.380 nan 8.290 nan 0.000 0.525 126 G N -0.351 108.696 108.800 0.411 0.000 3.124 126 G HA2 0.489 4.449 3.960 0.000 0.000 0.212 126 G HA3 0.489 4.449 3.960 0.000 0.000 0.212 126 G C 1.016 176.028 174.900 0.187 0.000 1.181 126 G CA 1.175 46.450 45.100 0.293 0.000 0.803 126 G HN 1.659 nan 8.290 nan 0.000 0.529 127 A N -0.267 122.644 122.820 0.153 0.000 2.577 127 A HA 0.425 4.745 4.320 0.000 0.000 0.280 127 A C 0.547 178.163 177.584 0.053 0.000 1.331 127 A CA -0.412 51.679 52.037 0.089 0.000 0.935 127 A CB -0.634 18.407 19.000 0.068 0.000 1.082 127 A HN 0.343 nan 8.150 nan 0.000 0.525 128 C N -0.031 119.308 119.300 0.065 0.000 2.330 128 C HA 0.443 4.903 4.460 0.000 0.000 0.344 128 C C 1.365 176.361 174.990 0.010 0.000 1.273 128 C CA -0.317 58.722 59.018 0.036 0.000 1.879 128 C CB 0.096 27.879 27.740 0.072 0.000 2.376 128 C HN 0.772 nan 8.230 nan 0.000 0.534 129 E N 2.153 122.310 120.200 -0.070 0.000 2.072 129 E HA -0.167 4.183 4.350 0.000 0.000 0.190 129 E C 1.726 178.300 176.600 -0.043 0.000 0.982 129 E CA 0.818 57.147 56.400 -0.118 0.000 0.803 129 E CB -0.065 29.443 29.700 -0.320 0.000 0.755 129 E HN 0.786 nan 8.360 nan 0.000 0.453 130 L N 1.711 122.886 121.223 -0.079 0.000 2.042 130 L HA -0.256 4.084 4.340 0.000 0.000 0.210 130 L C 2.192 179.188 176.870 0.210 0.000 1.076 130 L CA 1.852 56.821 54.840 0.215 0.000 0.749 130 L CB -0.418 41.682 42.059 0.068 0.000 0.893 130 L HN 0.075 nan 8.230 nan 0.000 0.432 131 Q N -0.520 119.352 119.800 0.120 0.000 2.002 131 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 131 Q C 1.907 177.987 176.000 0.133 0.000 0.988 131 Q CA 2.213 58.088 55.803 0.120 0.000 0.843 131 Q CB -0.240 28.561 28.738 0.104 0.000 0.908 131 Q HN 0.583 nan 8.270 nan 0.000 0.420 132 D N -0.093 120.382 120.400 0.125 0.000 2.106 132 D HA -0.182 4.459 4.640 0.000 0.000 0.191 132 D C 1.921 178.330 176.300 0.181 0.000 0.997 132 D CA 1.301 55.377 54.000 0.126 0.000 0.834 132 D CB -0.129 40.737 40.800 0.110 0.000 0.956 132 D HN 0.017 nan 8.370 nan 0.000 0.448 133 R N -0.123 120.541 120.500 0.274 0.000 2.120 133 R HA -0.029 4.311 4.340 0.000 0.000 0.234 133 R C 2.286 178.751 176.300 0.275 0.000 1.123 133 R CA 1.307 57.626 56.100 0.365 0.000 0.975 133 R CB -0.693 29.882 30.300 0.460 0.000 0.866 133 R HN 0.174 nan 8.270 nan 0.000 0.446 134 T N -0.392 114.285 114.554 0.204 0.000 2.674 134 T HA -0.125 4.226 4.350 0.000 0.000 0.265 134 T C 1.774 176.550 174.700 0.127 0.000 1.039 134 T CA 1.480 63.667 62.100 0.146 0.000 1.150 134 T CB -0.431 68.515 68.868 0.129 0.000 0.864 134 T HN 0.050 nan 8.240 nan 0.000 0.427 135 V N 1.123 121.104 119.914 0.111 0.000 2.490 135 V HA -0.149 3.971 4.120 0.000 0.000 0.250 135 V C 2.144 178.261 176.094 0.038 0.000 1.061 135 V CA 1.751 64.097 62.300 0.076 0.000 1.064 135 V CB -0.403 31.456 31.823 0.060 0.000 0.670 135 V HN 0.510 nan 8.190 nan 0.000 0.461 136 E N -0.758 119.466 120.200 0.039 0.000 1.977 136 E HA -0.189 4.161 4.350 0.000 0.000 0.201 136 E C 1.991 178.487 176.600 -0.174 0.000 0.976 136 E CA 1.955 58.284 56.400 -0.118 0.000 0.868 136 E CB -0.381 29.226 29.700 -0.155 0.000 0.816 136 E HN 0.700 nan 8.360 nan 0.000 0.522 137 Y N 1.017 121.328 120.300 0.019 0.000 2.373 137 Y HA -0.004 4.546 4.550 0.000 0.000 0.293 137 Y C 1.949 177.848 175.900 -0.002 0.000 1.129 137 Y CA 0.513 58.610 58.100 -0.005 0.000 1.226 137 Y CB -1.239 37.200 38.460 -0.034 0.000 1.000 137 Y HN 0.269 nan 8.280 nan 0.000 0.549 138 G N 1.649 110.548 108.800 0.164 0.000 3.725 138 G HA2 -0.349 3.611 3.960 0.000 0.000 0.331 138 G HA3 -0.349 3.611 3.960 0.000 0.000 0.331 138 G C 0.322 175.271 174.900 0.081 0.000 0.871 138 G CA 0.834 45.996 45.100 0.103 0.000 0.725 138 G HN 0.275 nan 8.290 nan 0.000 1.346 139 L N -0.136 121.126 121.223 0.066 0.000 2.380 139 L HA 0.436 4.776 4.340 0.000 0.000 0.273 139 L C -0.252 176.675 176.870 0.095 0.000 1.138 139 L CA -0.617 54.250 54.840 0.045 0.000 0.832 139 L CB 1.002 43.044 42.059 -0.029 0.000 1.124 139 L HN 0.512 nan 8.230 nan 0.000 0.454 140 Y N 3.924 124.192 120.300 -0.053 0.000 2.350 140 Y HA 0.505 5.055 4.550 0.000 0.000 0.338 140 Y C -0.669 175.196 175.900 -0.058 0.000 0.961 140 Y CA -0.793 57.278 58.100 -0.049 0.000 1.100 140 Y CB 1.157 39.591 38.460 -0.043 0.000 1.179 140 Y HN 0.506 nan 8.280 nan 0.000 0.454 141 E N 3.812 123.704 120.200 -0.513 0.000 2.369 141 E HA 0.337 4.687 4.350 0.000 0.000 0.270 141 E C -1.438 174.782 176.600 -0.633 0.000 0.909 141 E CA -1.128 54.934 56.400 -0.563 0.000 0.775 141 E CB 2.773 32.315 29.700 -0.263 0.000 1.270 141 E HN 0.527 nan 8.360 nan 0.000 0.445 152 P HA 0.192 nan 4.420 nan 0.000 0.261 152 P C -0.962 176.235 177.300 -0.172 0.000 1.173 152 P CA 0.317 63.314 63.100 -0.172 0.000 0.760 152 P CB 0.511 32.056 31.700 -0.258 0.000 0.783 153 V N 4.665 124.486 119.914 -0.155 0.000 2.368 153 V HA 0.037 4.157 4.120 0.000 0.000 0.266 153 V C 0.545 176.582 176.094 -0.095 0.000 1.045 153 V CA 0.027 62.286 62.300 -0.068 0.000 0.899 153 V CB 0.326 32.133 31.823 -0.027 0.000 1.006 153 V HN 0.560 nan 8.190 nan 0.000 0.470 154 Y N 2.942 123.256 120.300 0.023 0.000 2.243 154 Y HA 0.068 4.618 4.550 0.000 0.000 0.293 154 Y C 1.542 177.473 175.900 0.051 0.000 1.124 154 Y CA 1.284 59.404 58.100 0.034 0.000 1.159 154 Y CB 0.430 38.911 38.460 0.035 0.000 1.008 154 Y HN 0.571 nan 8.280 nan 0.000 0.527 155 T N -0.162 114.519 114.554 0.212 0.000 2.993 155 T HA 0.342 4.692 4.350 0.000 0.000 0.312 155 T C -0.085 174.712 174.700 0.161 0.000 1.115 155 T CA -0.865 61.343 62.100 0.181 0.000 1.027 155 T CB 1.013 69.998 68.868 0.195 0.000 1.116 155 T HN 0.278 nan 8.240 nan 0.000 0.464 156 R N 2.746 123.355 120.500 0.182 0.000 2.472 156 R HA 0.255 4.595 4.340 0.000 0.000 0.279 156 R C -0.336 176.150 176.300 0.309 0.000 0.953 156 R CA -0.448 55.764 56.100 0.186 0.000 1.088 156 R CB 0.158 30.541 30.300 0.138 0.000 1.197 156 R HN 0.395 nan 8.270 nan 0.000 0.536 157 F N 4.260 124.303 119.950 0.155 0.000 2.334 157 F HA 0.231 4.758 4.527 0.000 0.000 0.367 157 F C 0.309 176.235 175.800 0.211 0.000 1.115 157 F CA -2.134 56.010 58.000 0.240 0.000 1.116 157 F CB 0.948 40.076 39.000 0.214 0.000 1.230 157 F HN 0.127 nan 8.300 nan 0.000 0.484 158 E N 4.751 124.960 120.200 0.016 0.000 2.511 158 E HA 0.184 4.534 4.350 0.000 0.000 0.214 158 E C -1.083 175.144 176.600 -0.623 0.000 1.062 158 E CA -0.235 55.970 56.400 -0.325 0.000 1.213 158 E CB -0.159 29.381 29.700 -0.266 0.000 1.214 158 E HN 0.310 nan 8.360 nan 0.000 0.441 159 F N 0.624 120.099 119.950 -0.793 0.000 2.557 159 F HA 0.317 4.844 4.527 0.000 0.000 0.336 159 F C 0.838 176.322 175.800 -0.525 0.000 1.058 159 F CA -1.334 56.355 58.000 -0.517 0.000 0.988 159 F CB 1.213 40.111 39.000 -0.170 0.000 1.275 159 F HN -0.244 nan 8.300 nan 0.000 0.488 160 T N 2.531 117.071 114.554 -0.023 0.000 2.831 160 T HA 0.144 4.494 4.350 0.000 0.000 0.291 160 T C 0.531 175.188 174.700 -0.071 0.000 0.981 160 T CA -0.206 61.860 62.100 -0.056 0.000 1.174 160 T CB -0.155 68.707 68.868 -0.009 0.000 0.929 160 T HN 0.366 nan 8.240 nan 0.000 0.532 161 R N 1.601 122.024 120.500 -0.128 0.000 2.747 161 R HA 0.294 4.634 4.340 0.000 0.000 0.278 161 R C 0.885 177.032 176.300 -0.256 0.000 1.153 161 R CA -0.747 55.337 56.100 -0.028 0.000 1.206 161 R CB 0.461 30.820 30.300 0.098 0.000 1.161 161 R HN 0.508 nan 8.270 nan 0.000 0.589 162 R N 1.110 121.592 120.500 -0.031 0.000 2.298 162 R HA 0.093 4.433 4.340 0.000 0.000 0.310 162 R C -0.947 175.391 176.300 0.063 0.000 1.068 162 R CA -0.025 56.072 56.100 -0.005 0.000 0.957 162 R CB 0.377 30.749 30.300 0.121 0.000 1.003 162 R HN 0.632 nan 8.270 nan 0.000 0.454 163 H N 3.349 122.475 119.070 0.094 0.000 2.658 163 H HA 0.350 4.906 4.556 0.000 0.000 0.337 163 H C -0.055 175.289 175.328 0.028 0.000 1.009 163 H CA -1.069 55.010 56.048 0.052 0.000 1.231 163 H CB 1.723 31.511 29.762 0.043 0.000 1.508 163 H HN 0.506 nan 8.280 nan 0.000 0.517 164 V N -0.699 119.282 119.914 0.112 0.000 4.306 164 V HA 0.374 4.494 4.120 0.000 0.000 0.303 164 V C -0.439 175.601 176.094 -0.090 0.000 1.454 164 V CA -1.022 61.271 62.300 -0.012 0.000 0.910 164 V CB 1.132 32.918 31.823 -0.061 0.000 1.241 164 V HN 0.568 nan 8.190 nan 0.000 0.466 165 D N 0.678 120.963 120.400 -0.192 0.000 2.351 165 D HA 0.395 5.035 4.640 0.000 0.000 0.251 165 D C -0.439 175.745 176.300 -0.193 0.000 1.137 165 D CA 0.377 54.221 54.000 -0.260 0.000 0.879 165 D CB 0.836 41.405 40.800 -0.385 0.000 1.181 165 D HN 0.673 nan 8.370 nan 0.000 0.448 166 K N 1.691 121.950 120.400 -0.235 0.000 2.378 166 K HA 0.286 4.606 4.320 0.000 0.000 0.252 166 K C -0.910 175.422 176.600 -0.448 0.000 0.931 166 K CA -0.988 55.189 56.287 -0.184 0.000 0.794 166 K CB 0.852 33.319 32.500 -0.055 0.000 1.181 166 K HN 0.803 nan 8.250 nan 0.000 0.425 167 H N -0.224 118.890 119.070 0.074 0.000 2.592 167 H HA -0.200 4.356 4.556 0.000 0.000 0.323 167 H C -1.648 173.743 175.328 0.105 0.000 1.117 167 H CA 0.770 56.852 56.048 0.058 0.000 1.120 167 H CB -2.329 27.434 29.762 0.003 0.000 1.561 167 H HN 0.535 nan 8.280 nan 0.000 0.409 168 H N 1.896 120.934 119.070 -0.053 0.000 2.691 168 H HA 0.307 4.863 4.556 0.000 0.000 0.281 168 H C -2.206 173.132 175.328 0.017 0.000 1.121 168 H CA -2.098 53.935 56.048 -0.025 0.000 1.254 168 H CB 1.069 30.795 29.762 -0.061 0.000 1.390 168 H HN 0.424 nan 8.280 nan 0.000 0.491 169 P HA -0.092 nan 4.420 nan 0.000 0.258 169 P C 0.574 177.904 177.300 0.050 0.000 1.172 169 P CA 0.459 63.570 63.100 0.018 0.000 0.762 169 P CB 0.963 32.648 31.700 -0.025 0.000 0.764 170 L N 1.893 123.154 121.223 0.063 0.000 2.095 170 L HA -0.005 4.336 4.340 0.000 0.000 0.204 170 L C 1.343 178.260 176.870 0.078 0.000 1.080 170 L CA 1.197 56.087 54.840 0.084 0.000 0.759 170 L CB -0.449 41.657 42.059 0.080 0.000 0.914 170 L HN 0.291 nan 8.230 nan 0.000 0.439 171 S N 0.789 116.520 115.700 0.052 0.000 2.422 171 S HA 0.229 4.699 4.470 0.000 0.000 0.308 171 S C -1.513 173.128 174.600 0.068 0.000 1.097 171 S CA -1.131 57.111 58.200 0.070 0.000 1.099 171 S CB 1.465 64.686 63.200 0.036 0.000 0.976 171 S HN 0.032 nan 8.310 nan 0.000 0.471 172 P HA -0.162 nan 4.420 nan 0.000 0.222 172 P C 1.055 178.374 177.300 0.031 0.000 1.142 172 P CA 0.888 63.996 63.100 0.014 0.000 0.788 172 P CB 0.132 31.823 31.700 -0.014 0.000 0.767 173 F N 1.642 121.519 119.950 -0.121 0.000 2.038 173 F HA -0.024 4.503 4.527 0.000 0.000 0.288 173 F C 1.541 177.190 175.800 -0.252 0.000 1.296 173 F CA 0.619 58.511 58.000 -0.180 0.000 1.133 173 F CB -0.981 37.916 39.000 -0.171 0.000 0.969 173 F HN -0.288 nan 8.300 nan 0.000 0.499 174 V N -0.851 119.021 119.914 -0.071 0.000 3.815 174 V HA 0.331 4.451 4.120 0.000 0.000 0.284 174 V C 0.250 176.208 176.094 -0.228 0.000 1.266 174 V CA -1.121 60.923 62.300 -0.427 0.000 0.923 174 V CB 0.351 31.337 31.823 -1.394 0.000 1.267 174 V HN 0.360 nan 8.190 nan 0.000 0.461 175 I N 0.451 120.905 120.570 -0.193 0.000 7.576 175 I HA -0.170 4.000 4.170 0.000 0.000 0.126 175 I C -0.829 175.282 176.117 -0.011 0.000 1.681 175 I CA 0.196 61.467 61.300 -0.047 0.000 2.287 175 I CB -0.905 37.093 38.000 -0.004 0.000 3.377 175 I HN 0.505 nan 8.210 nan 0.000 0.239 176 L N 8.402 129.624 121.223 -0.003 0.000 2.305 176 L HA 0.668 5.008 4.340 0.000 0.000 0.284 176 L C -0.189 176.704 176.870 0.039 0.000 1.013 176 L CA -0.048 54.800 54.840 0.013 0.000 0.819 176 L CB 1.199 43.247 42.059 -0.019 0.000 1.227 176 L HN 0.477 nan 8.230 nan 0.000 0.417 177 D N 3.684 124.121 120.400 0.061 0.000 2.299 177 D HA 0.282 4.922 4.640 0.000 0.000 0.243 177 D C -0.317 176.024 176.300 0.068 0.000 0.982 177 D CA -0.691 53.349 54.000 0.066 0.000 0.924 177 D CB 1.769 42.612 40.800 0.073 0.000 1.238 177 D HN 0.654 nan 8.370 nan 0.000 0.484 178 R N 0.341 120.879 120.500 0.064 0.000 2.609 178 R HA 0.023 4.363 4.340 0.000 0.000 0.326 178 R C -0.250 176.069 176.300 0.032 0.000 1.090 178 R CA -0.227 55.904 56.100 0.051 0.000 1.072 178 R CB -0.220 30.120 30.300 0.068 0.000 1.330 178 R HN 0.508 nan 8.270 nan 0.000 0.572 179 E N 1.272 121.493 120.200 0.035 0.000 2.061 179 E HA -0.252 4.098 4.350 0.000 0.000 0.208 179 E C -0.525 176.107 176.600 0.052 0.000 1.414 179 E CA 0.781 57.207 56.400 0.043 0.000 0.696 179 E CB -0.407 29.272 29.700 -0.035 0.000 1.080 179 E HN 0.389 nan 8.360 nan 0.000 0.332 180 R N 0.094 120.627 120.500 0.056 0.000 2.638 180 R HA 0.191 4.531 4.340 0.000 0.000 0.261 180 R C -0.255 176.105 176.300 0.100 0.000 1.515 180 R CA -0.222 55.917 56.100 0.064 0.000 1.623 180 R CB 0.379 30.690 30.300 0.018 0.000 1.347 180 R HN 0.275 nan 8.270 nan 0.000 0.705 181 C N -0.984 118.367 119.300 0.085 0.000 2.531 181 C HA 0.760 5.220 4.460 0.000 0.000 0.369 181 C C 1.009 176.019 174.990 0.033 0.000 1.258 181 C CA -1.197 57.878 59.018 0.096 0.000 1.876 181 C CB 0.656 28.409 27.740 0.022 0.000 2.256 181 C HN 0.622 nan 8.230 nan 0.000 0.510 182 I N -0.771 119.846 120.570 0.079 0.000 2.834 182 I HA 0.470 4.640 4.170 0.000 0.000 0.305 182 I C -0.584 175.544 176.117 0.019 0.000 1.008 182 I CA -0.337 61.055 61.300 0.153 0.000 1.273 182 I CB 0.450 38.591 38.000 0.235 0.000 1.432 182 I HN 0.675 nan 8.210 nan 0.000 0.557 183 H N 3.287 122.423 119.070 0.111 0.000 2.702 183 H HA 0.341 4.897 4.556 0.000 0.000 0.252 183 H C 0.280 175.669 175.328 0.100 0.000 1.493 183 H CA -0.809 55.281 56.048 0.070 0.000 1.273 183 H CB 0.247 29.933 29.762 -0.128 0.000 1.537 183 H HN 0.854 nan 8.280 nan 0.000 0.547 184 C N 1.002 120.443 119.300 0.235 0.000 2.551 184 C HA 0.469 4.929 4.460 0.000 0.000 0.377 184 C C 1.330 176.499 174.990 0.297 0.000 1.622 184 C CA -0.607 58.541 59.018 0.217 0.000 1.980 184 C CB 1.199 29.029 27.740 0.151 0.000 1.946 184 C HN 0.810 nan 8.230 nan 0.000 0.525 185 K N -1.180 119.370 120.400 0.250 0.000 2.517 185 K HA 0.224 4.544 4.320 0.000 0.000 0.210 185 K C 2.167 178.869 176.600 0.169 0.000 1.166 185 K CA -0.254 56.211 56.287 0.296 0.000 1.030 185 K CB 0.031 32.708 32.500 0.295 0.000 0.974 185 K HN 0.640 nan 8.250 nan 0.000 0.585 186 R N 0.299 120.880 120.500 0.134 0.000 2.189 186 R HA -0.320 4.020 4.340 0.000 0.000 0.252 186 R C 2.470 178.822 176.300 0.087 0.000 1.134 186 R CA 2.462 58.624 56.100 0.103 0.000 0.954 186 R CB -1.223 29.112 30.300 0.059 0.000 0.890 186 R HN 0.470 nan 8.270 nan 0.000 0.443 187 C N -0.359 118.966 119.300 0.041 0.000 2.489 187 C HA 0.021 4.481 4.460 0.000 0.000 0.279 187 C C 2.772 177.796 174.990 0.057 0.000 1.266 187 C CA 0.405 59.413 59.018 -0.017 0.000 1.707 187 C CB -1.342 26.375 27.740 -0.038 0.000 2.059 187 C HN 0.446 nan 8.230 nan 0.000 0.481 188 V N 1.496 121.437 119.914 0.045 0.000 2.343 188 V HA -0.150 3.971 4.120 0.000 0.000 0.247 188 V C 2.839 178.993 176.094 0.100 0.000 1.051 188 V CA 2.396 64.738 62.300 0.070 0.000 1.036 188 V CB -1.214 30.508 31.823 -0.169 0.000 0.654 188 V HN 0.633 nan 8.190 nan 0.000 0.451 189 R N -0.358 120.190 120.500 0.081 0.000 2.082 189 R HA -0.233 4.107 4.340 0.000 0.000 0.234 189 R C 2.339 178.683 176.300 0.074 0.000 1.136 189 R CA 2.355 58.506 56.100 0.085 0.000 0.935 189 R CB -1.089 29.277 30.300 0.110 0.000 0.842 189 R HN 0.684 nan 8.270 nan 0.000 0.430 190 Y N 0.465 120.741 120.300 -0.040 0.000 2.002 190 Y HA -0.345 4.205 4.550 0.000 0.000 0.268 190 Y C 1.816 177.651 175.900 -0.109 0.000 1.177 190 Y CA 2.231 60.248 58.100 -0.138 0.000 1.111 190 Y CB -0.932 37.363 38.460 -0.276 0.000 0.952 190 Y HN 0.107 nan 8.280 nan 0.000 0.491 191 F N 0.952 120.784 119.950 -0.196 0.000 2.063 191 F HA -0.280 4.247 4.527 0.000 0.000 0.298 191 F C 2.596 178.244 175.800 -0.254 0.000 1.105 191 F CA 2.235 60.070 58.000 -0.275 0.000 1.215 191 F CB -1.300 37.680 39.000 -0.034 0.000 0.972 191 F HN 0.434 nan 8.300 nan 0.000 0.483 192 E N -0.114 120.119 120.200 0.056 0.000 2.347 192 E HA -0.148 4.202 4.350 0.000 0.000 0.196 192 E C 1.579 178.146 176.600 -0.055 0.000 1.008 192 E CA 1.566 57.970 56.400 0.006 0.000 0.852 192 E CB -0.375 29.332 29.700 0.011 0.000 0.783 192 E HN 0.545 nan 8.360 nan 0.000 0.505 193 E N -0.442 119.682 120.200 -0.127 0.000 2.132 193 E HA 0.045 4.395 4.350 0.000 0.000 0.193 193 E C 1.820 178.287 176.600 -0.221 0.000 0.951 193 E CA 0.765 57.075 56.400 -0.149 0.000 0.843 193 E CB 0.399 30.043 29.700 -0.093 0.000 0.807 193 E HN 0.140 nan 8.360 nan 0.000 0.467 194 V N 1.939 121.580 119.914 -0.454 0.000 2.339 194 V HA -0.065 4.055 4.120 0.000 0.000 0.234 194 V C -0.982 174.875 176.094 -0.395 0.000 1.053 194 V CA 1.234 63.212 62.300 -0.537 0.000 1.042 194 V CB -1.378 29.818 31.823 -1.045 0.000 0.678 194 V HN 0.194 nan 8.190 nan 0.000 0.475 195 P HA -0.008 nan 4.420 nan 0.000 0.220 195 P C 1.197 178.548 177.300 0.086 0.000 1.152 195 P CA 1.999 64.890 63.100 -0.347 0.000 0.812 195 P CB 0.002 31.573 31.700 -0.216 0.000 0.792 196 G N 0.070 108.928 108.800 0.097 0.000 2.132 196 G HA2 -0.133 3.827 3.960 0.000 0.000 0.228 196 G HA3 -0.133 3.827 3.960 0.000 0.000 0.228 196 G C -0.470 174.531 174.900 0.169 0.000 1.000 196 G CA -0.134 45.126 45.100 0.266 0.000 0.693 196 G HN 0.346 nan 8.290 nan 0.000 0.515 197 D N 1.263 121.706 120.400 0.071 0.000 2.460 197 D HA 0.343 4.983 4.640 0.000 0.000 0.268 197 D C 0.102 176.297 176.300 -0.176 0.000 1.153 197 D CA -0.345 53.642 54.000 -0.022 0.000 0.929 197 D CB 0.663 41.452 40.800 -0.019 0.000 1.015 197 D HN 0.483 nan 8.370 nan 0.000 0.502 198 E N 0.554 120.686 120.200 -0.114 0.000 2.168 198 E HA 0.080 4.430 4.350 0.000 0.000 0.254 198 E C 1.090 177.522 176.600 -0.279 0.000 1.228 198 E CA -0.043 56.262 56.400 -0.158 0.000 0.956 198 E CB 0.476 30.138 29.700 -0.064 0.000 1.031 198 E HN 0.233 nan 8.360 nan 0.000 0.441 199 V N 1.067 120.660 119.914 -0.536 0.000 2.991 199 V HA 0.444 4.564 4.120 0.000 0.000 0.355 199 V C -0.392 175.490 176.094 -0.354 0.000 1.384 199 V CA -0.604 61.411 62.300 -0.475 0.000 1.171 199 V CB -0.204 31.266 31.823 -0.587 0.000 1.190 199 V HN 0.337 nan 8.190 nan 0.000 0.540 200 L N 0.556 121.656 121.223 -0.206 0.000 2.591 200 L HA 0.889 5.229 4.340 0.000 0.000 0.257 200 L C -1.403 175.407 176.870 -0.100 0.000 0.935 200 L CA 0.277 55.080 54.840 -0.061 0.000 0.873 200 L CB 2.252 44.409 42.059 0.162 0.000 1.397 200 L HN 0.343 nan 8.230 nan 0.000 0.414 201 D N 0.709 121.009 120.400 -0.167 0.000 2.725 201 D HA 0.369 5.009 4.640 0.000 0.000 0.292 201 D C -1.331 174.787 176.300 -0.302 0.000 1.288 201 D CA -0.263 53.563 54.000 -0.291 0.000 0.784 201 D CB 1.404 42.118 40.800 -0.144 0.000 1.308 201 D HN 0.094 nan 8.370 nan 0.000 0.429 202 F N 0.562 120.517 119.950 0.007 0.000 2.378 202 F HA 0.475 5.002 4.527 0.000 0.000 0.319 202 F C 0.671 176.378 175.800 -0.156 0.000 1.155 202 F CA -0.345 57.630 58.000 -0.041 0.000 1.157 202 F CB 0.554 39.551 39.000 -0.005 0.000 1.252 202 F HN 0.062 nan 8.300 nan 0.000 0.550 203 I N 0.667 121.142 120.570 -0.158 0.000 2.533 203 I HA 0.333 4.503 4.170 0.000 0.000 0.290 203 I C -0.142 175.704 176.117 -0.453 0.000 1.056 203 I CA -1.057 59.999 61.300 -0.405 0.000 1.057 203 I CB 0.968 38.524 38.000 -0.741 0.000 1.240 203 I HN 0.760 nan 8.210 nan 0.000 0.423 204 E N 3.582 123.653 120.200 -0.215 0.000 6.884 204 E HA -0.198 4.153 4.350 0.000 0.000 0.172 204 E C -0.452 176.103 176.600 -0.075 0.000 1.455 204 E CA 0.384 56.714 56.400 -0.116 0.000 2.484 204 E CB -0.013 29.626 29.700 -0.102 0.000 1.770 204 E HN 0.833 nan 8.360 nan 0.000 0.475 205 R N -0.633 119.854 120.500 -0.022 0.000 2.795 205 R HA 0.740 5.081 4.340 0.000 0.000 0.268 205 R C 0.375 176.653 176.300 -0.036 0.000 1.041 205 R CA -0.479 55.594 56.100 -0.045 0.000 0.927 205 R CB 1.408 31.680 30.300 -0.046 0.000 1.235 205 R HN 1.227 nan 8.270 nan 0.000 0.463 206 G N -0.161 108.565 108.800 -0.123 0.000 2.542 206 G HA2 -0.279 3.681 3.960 0.000 0.000 0.235 206 G HA3 -0.279 3.681 3.960 0.000 0.000 0.235 206 G C 0.552 175.282 174.900 -0.283 0.000 1.286 206 G CA 0.008 44.999 45.100 -0.181 0.000 0.904 206 G HN 1.286 nan 8.290 nan 0.000 0.577 207 V N -1.462 118.205 119.914 -0.412 0.000 3.383 207 V HA 0.094 4.214 4.120 0.000 0.000 0.272 207 V C 1.751 177.602 176.094 -0.405 0.000 1.181 207 V CA 2.302 64.337 62.300 -0.443 0.000 1.171 207 V CB -0.907 30.640 31.823 -0.460 0.000 0.800 207 V HN 0.718 nan 8.190 nan 0.000 0.515 208 H N 0.430 119.500 119.070 -0.001 0.000 2.729 208 H HA 0.159 4.715 4.556 0.000 0.000 0.263 208 H C 1.596 177.018 175.328 0.156 0.000 0.961 208 H CA 0.707 56.819 56.048 0.106 0.000 1.217 208 H CB -0.004 29.812 29.762 0.091 0.000 1.447 208 H HN 0.632 nan 8.280 nan 0.000 0.496 209 T N 1.209 115.815 114.554 0.087 0.000 2.903 209 T HA 0.099 4.449 4.350 0.000 0.000 0.299 209 T C 0.098 174.956 174.700 0.264 0.000 1.041 209 T CA 0.062 62.166 62.100 0.008 0.000 1.138 209 T CB -0.325 68.463 68.868 -0.132 0.000 1.040 209 T HN 0.233 nan 8.240 nan 0.000 0.524 210 F N 1.036 121.163 119.950 0.295 0.000 2.869 210 F HA 0.708 5.235 4.527 0.000 0.000 0.325 210 F C 0.210 176.208 175.800 0.331 0.000 1.184 210 F CA -1.956 56.224 58.000 0.300 0.000 0.951 210 F CB 0.288 39.405 39.000 0.194 0.000 1.421 210 F HN 0.334 nan 8.300 nan 0.000 0.501 211 I N 1.652 122.596 120.570 0.623 0.000 3.684 211 I HA 0.292 4.462 4.170 0.000 0.000 0.304 211 I C 1.534 177.815 176.117 0.273 0.000 1.278 211 I CA 0.094 61.608 61.300 0.356 0.000 1.272 211 I CB -1.097 37.038 38.000 0.225 0.000 1.029 211 I HN 0.855 nan 8.210 nan 0.000 0.458 212 G N 0.273 109.348 108.800 0.458 0.000 3.515 212 G HA2 0.021 3.981 3.960 0.000 0.000 0.293 212 G HA3 0.021 3.981 3.960 0.000 0.000 0.293 212 G C 0.214 175.155 174.900 0.069 0.000 1.296 212 G CA 0.671 45.937 45.100 0.277 0.000 0.980 212 G HN 0.360 nan 8.290 nan 0.000 0.661 213 T N -2.249 112.291 114.554 -0.023 0.000 2.647 213 T HA 0.585 4.935 4.350 0.000 0.000 0.295 213 T C 0.244 174.719 174.700 -0.374 0.000 1.126 213 T CA -0.619 61.364 62.100 -0.195 0.000 1.040 213 T CB 1.326 70.042 68.868 -0.254 0.000 1.472 213 T HN 0.360 nan 8.240 nan 0.000 0.500 214 M N 0.758 120.012 119.600 -0.577 0.000 2.309 214 M HA 0.242 4.722 4.480 0.000 0.000 0.438 214 M C -1.161 174.731 176.300 -0.681 0.000 1.004 214 M CA 0.180 55.076 55.300 -0.673 0.000 1.024 214 M CB 0.334 32.818 32.600 -0.195 0.000 2.095 214 M HN 0.501 nan 8.290 nan 0.000 0.701 215 D N 0.309 120.351 120.400 -0.596 0.000 2.863 215 D HA 0.309 4.949 4.640 0.000 0.000 0.323 215 D C 0.828 176.971 176.300 -0.262 0.000 1.286 215 D CA -0.252 53.581 54.000 -0.278 0.000 0.921 215 D CB 0.017 40.704 40.800 -0.188 0.000 1.024 215 D HN -0.053 nan 8.370 nan 0.000 0.505 216 F N 0.829 120.774 119.950 -0.009 0.000 2.094 216 F HA -0.257 4.270 4.527 0.000 0.000 0.296 216 F C 2.565 178.369 175.800 0.007 0.000 1.070 216 F CA 1.593 59.595 58.000 0.003 0.000 1.255 216 F CB -0.640 38.362 39.000 0.004 0.000 1.000 216 F HN 0.386 nan 8.300 nan 0.000 0.490 217 G N -0.375 108.514 108.800 0.148 0.000 2.920 217 G HA2 0.200 4.160 3.960 0.000 0.000 0.208 217 G HA3 0.200 4.160 3.960 0.000 0.000 0.208 217 G C 0.501 175.445 174.900 0.073 0.000 1.159 217 G CA -0.106 45.056 45.100 0.104 0.000 0.784 217 G HN 0.334 nan 8.290 nan 0.000 0.535 218 L N -0.971 120.265 121.223 0.022 0.000 3.664 218 L HA -0.147 4.193 4.340 0.000 0.000 0.560 218 L C -0.944 175.946 176.870 0.033 0.000 1.285 218 L CA -0.049 54.792 54.840 0.002 0.000 0.864 218 L CB -1.427 40.679 42.059 0.078 0.000 1.512 218 L HN 0.210 nan 8.230 nan 0.000 0.853 219 P HA -0.222 nan 4.420 nan 0.000 0.221 219 P C 1.104 178.441 177.300 0.061 0.000 1.160 219 P CA 2.148 65.266 63.100 0.030 0.000 0.933 219 P CB 0.086 31.783 31.700 -0.006 0.000 0.793 220 S N -0.888 114.843 115.700 0.052 0.000 2.569 220 S HA 0.300 4.770 4.470 0.000 0.000 0.274 220 S C 0.863 175.523 174.600 0.100 0.000 1.353 220 S CA -0.236 58.028 58.200 0.107 0.000 1.023 220 S CB 0.143 63.438 63.200 0.159 0.000 0.876 220 S HN 0.258 nan 8.310 nan 0.000 0.540 221 G N -0.270 108.518 108.800 -0.020 0.000 2.508 221 G HA2 0.474 4.434 3.960 0.000 0.000 0.278 221 G HA3 0.474 4.434 3.960 0.000 0.000 0.278 221 G C -0.332 174.422 174.900 -0.243 0.000 1.389 221 G CA -0.771 44.119 45.100 -0.351 0.000 1.050 221 G HN 0.999 nan 8.290 nan 0.000 0.522 222 F N -1.257 118.701 119.950 0.014 0.000 3.048 222 F HA -0.278 4.249 4.527 0.000 0.000 0.287 222 F C 2.219 178.123 175.800 0.174 0.000 0.796 222 F CA 0.854 58.882 58.000 0.047 0.000 1.111 222 F CB -2.220 36.762 39.000 -0.029 0.000 1.320 222 F HN 0.445 nan 8.300 nan 0.000 0.430 223 S N -0.644 115.235 115.700 0.299 0.000 2.425 223 S HA 0.138 4.608 4.470 0.000 0.000 0.225 223 S C 2.358 177.059 174.600 0.168 0.000 1.024 223 S CA 0.628 59.044 58.200 0.360 0.000 0.951 223 S CB -0.652 62.763 63.200 0.359 0.000 0.796 223 S HN 0.582 nan 8.310 nan 0.000 0.498 224 G N 3.159 112.070 108.800 0.184 0.000 2.469 224 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 224 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 224 G C 1.455 176.344 174.900 -0.018 0.000 1.150 224 G CA 1.114 46.310 45.100 0.160 0.000 0.763 224 G HN 0.571 nan 8.290 nan 0.000 0.561 225 N N 1.258 119.896 118.700 -0.102 0.000 2.184 225 N HA -0.186 4.555 4.740 0.000 0.000 0.190 225 N C 2.330 177.617 175.510 -0.371 0.000 1.011 225 N CA 1.657 54.591 53.050 -0.194 0.000 0.867 225 N CB -0.399 37.948 38.487 -0.232 0.000 0.993 225 N HN 0.694 nan 8.380 nan 0.000 0.433 226 I N -1.232 119.039 120.570 -0.499 0.000 2.423 226 I HA -0.159 4.011 4.170 0.000 0.000 0.254 226 I C 1.819 177.833 176.117 -0.171 0.000 1.151 226 I CA 1.184 62.235 61.300 -0.414 0.000 1.421 226 I CB -0.883 36.892 38.000 -0.376 0.000 1.079 226 I HN -0.127 nan 8.210 nan 0.000 0.431 227 T N 1.242 115.747 114.554 -0.082 0.000 2.737 227 T HA -0.150 4.200 4.350 0.000 0.000 0.265 227 T C 1.424 176.106 174.700 -0.030 0.000 1.038 227 T CA 2.098 64.192 62.100 -0.010 0.000 1.144 227 T CB -0.350 68.559 68.868 0.069 0.000 0.866 227 T HN 0.419 nan 8.240 nan 0.000 0.434 228 D N 0.564 120.935 120.400 -0.048 0.000 2.219 228 D HA 0.042 4.682 4.640 0.000 0.000 0.205 228 D C 1.910 178.172 176.300 -0.063 0.000 0.970 228 D CA 0.611 54.581 54.000 -0.050 0.000 0.851 228 D CB -0.151 40.618 40.800 -0.052 0.000 0.943 228 D HN 0.420 nan 8.370 nan 0.000 0.488 229 I N -0.391 120.132 120.570 -0.079 0.000 2.494 229 I HA -0.052 4.118 4.170 0.000 0.000 0.250 229 I C 1.033 177.108 176.117 -0.070 0.000 1.112 229 I CA -0.095 61.165 61.300 -0.067 0.000 1.438 229 I CB -0.167 37.799 38.000 -0.055 0.000 1.111 229 I HN -0.032 nan 8.210 nan 0.000 0.431 230 C N 5.812 125.071 119.300 -0.067 0.000 2.421 230 C HA -0.005 4.455 4.460 0.000 0.000 0.401 230 C C -0.434 174.514 174.990 -0.070 0.000 1.493 230 C CA -1.115 57.871 59.018 -0.052 0.000 1.416 230 C CB -0.519 27.206 27.740 -0.026 0.000 2.451 230 C HN 0.283 nan 8.230 nan 0.000 0.624 231 P HA 0.004 nan 4.420 nan 0.000 0.251 231 P C 0.190 177.399 177.300 -0.153 0.000 1.251 231 P CA 1.030 64.011 63.100 -0.198 0.000 0.763 231 P CB -0.199 31.273 31.700 -0.380 0.000 1.067 232 V N -3.153 116.726 119.914 -0.057 0.000 3.089 232 V HA 0.579 4.699 4.120 0.000 0.000 0.312 232 V C 1.822 177.951 176.094 0.059 0.000 1.433 232 V CA -0.223 62.086 62.300 0.015 0.000 1.025 232 V CB 0.207 32.066 31.823 0.060 0.000 1.077 232 V HN -0.119 nan 8.190 nan 0.000 0.478 233 G N -0.759 108.108 108.800 0.112 0.000 2.551 233 G HA2 0.357 4.317 3.960 0.000 0.000 0.216 233 G HA3 0.357 4.317 3.960 0.000 0.000 0.216 233 G C 0.654 175.606 174.900 0.087 0.000 1.137 233 G CA 0.807 45.970 45.100 0.106 0.000 0.798 233 G HN 1.156 nan 8.290 nan 0.000 0.536 234 A N -0.146 122.725 122.820 0.084 0.000 2.327 234 A HA 0.561 4.881 4.320 0.000 0.000 0.255 234 A C 0.813 178.431 177.584 0.057 0.000 1.099 234 A CA -0.341 51.739 52.037 0.071 0.000 0.801 234 A CB 0.102 19.145 19.000 0.072 0.000 1.062 234 A HN 0.705 nan 8.150 nan 0.000 0.496 235 L N -0.733 120.522 121.223 0.054 0.000 3.671 235 L HA -0.154 4.186 4.340 0.000 0.000 0.609 235 L C -0.735 176.157 176.870 0.036 0.000 1.251 235 L CA 0.490 55.355 54.840 0.041 0.000 0.934 235 L CB -2.033 40.042 42.059 0.027 0.000 1.496 235 L HN 0.622 nan 8.230 nan 0.000 0.854 236 L N 0.546 121.792 121.223 0.039 0.000 2.342 236 L HA 0.456 4.796 4.340 0.000 0.000 0.271 236 L C 0.710 177.606 176.870 0.042 0.000 1.008 236 L CA -0.729 54.136 54.840 0.041 0.000 0.818 236 L CB 2.070 44.152 42.059 0.039 0.000 1.296 236 L HN 0.161 nan 8.230 nan 0.000 0.427 237 D N 2.390 122.835 120.400 0.076 0.000 2.342 237 D HA -0.006 4.634 4.640 0.000 0.000 0.260 237 D C 0.574 176.912 176.300 0.063 0.000 1.278 237 D CA -0.116 53.959 54.000 0.124 0.000 0.910 237 D CB 1.242 42.172 40.800 0.218 0.000 1.079 237 D HN 0.349 nan 8.370 nan 0.000 0.496 238 L N 4.260 125.478 121.223 -0.009 0.000 2.240 238 L HA -0.032 4.308 4.340 0.000 0.000 0.211 238 L C 2.056 178.939 176.870 0.022 0.000 1.106 238 L CA 1.373 56.196 54.840 -0.029 0.000 0.793 238 L CB -0.826 41.197 42.059 -0.060 0.000 0.927 238 L HN 0.442 nan 8.230 nan 0.000 0.446 239 T N -0.495 114.101 114.554 0.070 0.000 2.869 239 T HA -0.099 4.251 4.350 0.000 0.000 0.270 239 T C 1.044 175.871 174.700 0.212 0.000 1.082 239 T CA 1.285 63.502 62.100 0.194 0.000 1.123 239 T CB -0.213 68.903 68.868 0.413 0.000 0.856 239 T HN 0.528 nan 8.240 nan 0.000 0.499 240 A N 0.952 123.865 122.820 0.155 0.000 2.663 240 A HA 0.425 4.745 4.320 0.000 0.000 0.273 240 A C 0.368 177.992 177.584 0.066 0.000 0.932 240 A CA -0.679 51.424 52.037 0.111 0.000 1.055 240 A CB 0.076 19.137 19.000 0.101 0.000 1.206 240 A HN 0.544 nan 8.150 nan 0.000 0.485 241 R N -0.554 119.961 120.500 0.024 0.000 2.539 241 R HA 0.396 4.736 4.340 0.000 0.000 0.275 241 R C -0.696 175.663 176.300 0.099 0.000 1.077 241 R CA -0.291 55.795 56.100 -0.023 0.000 1.097 241 R CB -0.046 30.116 30.300 -0.231 0.000 1.018 241 R HN 0.254 nan 8.270 nan 0.000 0.483 242 F N 1.583 121.517 119.950 -0.027 0.000 2.635 242 F HA -0.249 4.278 4.527 0.000 0.000 0.228 242 F C 0.484 176.258 175.800 -0.043 0.000 1.029 242 F CA 0.558 58.533 58.000 -0.041 0.000 0.907 242 F CB -1.072 37.905 39.000 -0.038 0.000 0.893 242 F HN 0.822 nan 8.300 nan 0.000 0.845 243 R N -0.272 120.296 120.500 0.113 0.000 2.197 243 R HA 0.702 5.042 4.340 0.000 0.000 0.188 243 R C 0.700 176.981 176.300 -0.032 0.000 1.015 243 R CA 0.919 57.038 56.100 0.033 0.000 1.132 243 R CB 0.583 30.892 30.300 0.015 0.000 1.134 243 R HN 0.309 nan 8.270 nan 0.000 0.560 244 A N 0.976 123.752 122.820 -0.073 0.000 2.601 244 A HA 0.615 4.935 4.320 0.000 0.000 0.291 244 A C -1.269 176.166 177.584 -0.250 0.000 1.075 244 A CA -0.827 51.115 52.037 -0.158 0.000 0.671 244 A CB 1.381 20.289 19.000 -0.153 0.000 1.277 244 A HN -0.064 nan 8.150 nan 0.000 0.417 245 R N 1.381 121.615 120.500 -0.444 0.000 2.441 245 R HA 0.254 4.594 4.340 0.000 0.000 0.284 245 R C 1.014 176.857 176.300 -0.762 0.000 1.070 245 R CA -0.684 54.979 56.100 -0.728 0.000 1.047 245 R CB 0.312 29.826 30.300 -1.310 0.000 1.016 245 R HN 0.826 nan 8.270 nan 0.000 0.477 246 N N 1.855 120.249 118.700 -0.511 0.000 2.089 246 N HA -0.260 4.480 4.740 0.000 0.000 0.198 246 N C 1.676 177.106 175.510 -0.134 0.000 1.017 246 N CA 2.430 55.344 53.050 -0.226 0.000 0.880 246 N CB -0.254 38.214 38.487 -0.032 0.000 1.042 246 N HN 0.711 nan 8.380 nan 0.000 0.446 247 W N 1.601 122.902 121.300 0.002 0.000 2.409 247 W HA 0.100 4.760 4.660 0.000 0.000 0.299 247 W C 1.836 178.352 176.519 -0.004 0.000 1.203 247 W CA 0.292 57.636 57.345 -0.001 0.000 1.298 247 W CB -0.858 28.602 29.460 0.000 0.000 1.127 247 W HN -0.046 nan 8.180 nan 0.000 0.528 248 E N 0.831 120.782 120.200 -0.414 0.000 2.187 248 E HA -0.185 4.165 4.350 0.000 0.000 0.199 248 E C 1.281 177.831 176.600 -0.084 0.000 1.004 248 E CA 0.948 57.243 56.400 -0.175 0.000 0.813 248 E CB -0.428 29.071 29.700 -0.334 0.000 0.736 248 E HN 0.238 nan 8.360 nan 0.000 0.468 249 M N 1.023 120.553 119.600 -0.116 0.000 2.252 249 M HA 0.005 4.485 4.480 0.000 0.000 0.329 249 M C 0.419 176.704 176.300 -0.024 0.000 1.101 249 M CA 0.745 56.002 55.300 -0.072 0.000 1.117 249 M CB 0.203 32.756 32.600 -0.078 0.000 1.563 249 M HN -0.056 nan 8.290 nan 0.000 0.445 250 E N 2.351 122.533 120.200 -0.030 0.000 2.070 250 E HA 0.181 4.531 4.350 0.000 0.000 0.261 250 E C -0.909 175.680 176.600 -0.020 0.000 0.926 250 E CA -0.210 56.182 56.400 -0.014 0.000 0.760 250 E CB 0.594 30.284 29.700 -0.017 0.000 1.133 250 E HN 0.507 nan 8.360 nan 0.000 0.420 251 E N 2.723 122.920 120.200 -0.006 0.000 2.351 251 E HA 0.082 4.432 4.350 0.000 0.000 0.266 251 E C -0.801 175.798 176.600 -0.001 0.000 1.031 251 E CA 0.385 56.781 56.400 -0.006 0.000 0.911 251 E CB 0.957 30.660 29.700 0.005 0.000 0.986 251 E HN 0.308 nan 8.360 nan 0.000 0.446 252 T N 4.794 119.346 114.554 -0.003 0.000 3.009 252 T HA 0.260 4.610 4.350 0.000 0.000 0.346 252 T C -2.433 172.284 174.700 0.028 0.000 1.092 252 T CA -1.541 60.566 62.100 0.011 0.000 1.080 252 T CB 1.035 69.907 68.868 0.006 0.000 1.037 252 T HN 0.294 nan 8.240 nan 0.000 0.487 253 P HA 0.442 nan 4.420 nan 0.000 0.280 253 P C -0.320 177.015 177.300 0.059 0.000 1.244 253 P CA 0.130 63.254 63.100 0.040 0.000 0.784 253 P CB 1.633 33.349 31.700 0.027 0.000 0.913 254 T N 0.936 115.538 114.554 0.080 0.000 2.649 254 T HA 0.369 4.720 4.350 0.000 0.000 0.305 254 T C -1.229 173.525 174.700 0.089 0.000 1.409 254 T CA -0.234 61.922 62.100 0.094 0.000 1.021 254 T CB 0.716 69.667 68.868 0.139 0.000 1.726 254 T HN 0.266 nan 8.240 nan 0.000 0.475 255 T N 1.380 115.982 114.554 0.078 0.000 2.779 255 T HA 0.452 4.802 4.350 0.000 0.000 0.280 255 T C -0.127 174.553 174.700 -0.033 0.000 0.987 255 T CA -0.332 61.779 62.100 0.018 0.000 0.966 255 T CB 0.485 69.333 68.868 -0.034 0.000 0.933 255 T HN 0.815 nan 8.240 nan 0.000 0.442 256 C N 4.022 123.301 119.300 -0.034 0.000 2.648 256 C HA 0.619 5.079 4.460 0.000 0.000 0.415 256 C C 1.112 175.804 174.990 -0.498 0.000 1.366 256 C CA -0.401 58.527 59.018 -0.150 0.000 1.756 256 C CB -1.737 26.021 27.740 0.030 0.000 2.549 256 C HN 0.940 nan 8.230 nan 0.000 0.597 257 A N 6.310 128.369 122.820 -1.267 0.000 3.154 257 A HA 0.425 4.745 4.320 0.000 0.000 0.310 257 A C 0.720 177.901 177.584 -0.672 0.000 1.093 257 A CA -0.282 51.178 52.037 -0.963 0.000 1.006 257 A CB -0.213 18.174 19.000 -1.021 0.000 1.084 257 A HN 0.967 nan 8.150 nan 0.000 0.549 258 L N -0.341 120.697 121.223 -0.309 0.000 2.513 258 L HA 0.155 4.495 4.340 0.000 0.000 0.222 258 L C 0.890 177.774 176.870 0.023 0.000 1.096 258 L CA 0.507 55.356 54.840 0.015 0.000 0.857 258 L CB 0.462 42.569 42.059 0.081 0.000 1.026 258 L HN 0.833 nan 8.230 nan 0.000 0.469 259 C N -4.957 114.317 119.300 -0.044 0.000 3.332 259 C HA 0.444 4.904 4.460 0.000 0.000 0.329 259 C C -1.832 173.130 174.990 -0.047 0.000 1.434 259 C CA -1.268 57.730 59.018 -0.032 0.000 1.314 259 C CB 0.940 28.655 27.740 -0.042 0.000 1.664 259 C HN -0.134 nan 8.230 nan 0.000 0.457 260 P HA -0.106 nan 4.420 nan 0.000 0.216 260 P C 1.807 179.084 177.300 -0.038 0.000 1.150 260 P CA 2.686 65.766 63.100 -0.035 0.000 0.837 260 P CB -0.087 31.599 31.700 -0.023 0.000 0.786 261 V N -3.144 116.754 119.914 -0.028 0.000 2.828 261 V HA -0.011 4.109 4.120 0.000 0.000 0.260 261 V C 1.378 177.454 176.094 -0.031 0.000 1.101 261 V CA 1.024 63.313 62.300 -0.018 0.000 1.123 261 V CB -2.190 29.636 31.823 0.005 0.000 0.704 261 V HN 0.279 nan 8.190 nan 0.000 0.493 262 G N 0.308 109.073 108.800 -0.059 0.000 2.357 262 G HA2 -0.274 3.686 3.960 0.000 0.000 0.282 262 G HA3 -0.274 3.686 3.960 0.000 0.000 0.282 262 G C 0.348 175.221 174.900 -0.045 0.000 0.910 262 G CA 0.381 45.435 45.100 -0.077 0.000 1.267 262 G HN 0.811 nan 8.290 nan 0.000 0.476 263 C N -0.369 118.914 119.300 -0.027 0.000 2.978 263 C HA 0.561 5.021 4.460 0.000 0.000 0.253 263 C C 1.688 176.671 174.990 -0.010 0.000 1.533 263 C CA 0.521 59.535 59.018 -0.007 0.000 1.858 263 C CB -0.047 27.702 27.740 0.015 0.000 2.015 263 C HN 1.222 nan 8.230 nan 0.000 0.643 264 G N -0.042 108.754 108.800 -0.007 0.000 2.609 264 G HA2 0.694 4.655 3.960 0.000 0.000 0.308 264 G HA3 0.694 4.655 3.960 0.000 0.000 0.308 264 G C -0.927 173.979 174.900 0.010 0.000 1.369 264 G CA -0.350 44.749 45.100 -0.003 0.000 0.958 264 G HN 0.837 nan 8.290 nan 0.000 0.499 265 I N -1.085 119.510 120.570 0.041 0.000 3.322 265 I HA 0.897 5.067 4.170 0.000 0.000 0.313 265 I C -0.730 175.418 176.117 0.052 0.000 1.129 265 I CA -1.188 60.144 61.300 0.054 0.000 0.963 265 I CB 2.546 40.615 38.000 0.115 0.000 1.273 265 I HN 0.304 nan 8.210 nan 0.000 0.473 266 T N 1.608 116.185 114.554 0.038 0.000 2.928 266 T HA 0.707 5.057 4.350 0.000 0.000 0.296 266 T C -0.662 174.038 174.700 -0.000 0.000 1.000 266 T CA -0.480 61.632 62.100 0.020 0.000 0.989 266 T CB 1.591 70.459 68.868 -0.001 0.000 1.005 266 T HN 0.860 nan 8.240 nan 0.000 0.442 267 A N 2.830 125.643 122.820 -0.011 0.000 2.256 267 A HA 0.615 4.935 4.320 0.000 0.000 0.317 267 A C -0.440 177.080 177.584 -0.106 0.000 1.318 267 A CA -0.806 51.178 52.037 -0.089 0.000 0.894 267 A CB 0.218 19.152 19.000 -0.109 0.000 1.165 267 A HN 0.720 nan 8.150 nan 0.000 0.525 268 D N 2.864 123.185 120.400 -0.130 0.000 2.348 268 D HA 0.419 5.059 4.640 0.000 0.000 0.253 268 D C 0.240 176.456 176.300 -0.139 0.000 1.161 268 D CA 0.768 54.701 54.000 -0.112 0.000 0.876 268 D CB 1.201 41.941 40.800 -0.101 0.000 1.160 268 D HN 0.582 nan 8.370 nan 0.000 0.459 269 T N -0.144 114.347 114.554 -0.106 0.000 2.912 269 T HA 0.692 5.042 4.350 0.000 0.000 0.299 269 T C -0.310 174.345 174.700 -0.075 0.000 1.052 269 T CA -1.151 60.887 62.100 -0.105 0.000 0.996 269 T CB 2.452 71.260 68.868 -0.101 0.000 1.070 269 T HN 0.339 nan 8.240 nan 0.000 0.465 270 R N 1.242 121.700 120.500 -0.070 0.000 2.515 270 R HA 0.527 4.867 4.340 0.000 0.000 0.291 270 R C -0.746 175.528 176.300 -0.043 0.000 1.046 270 R CA -0.363 55.706 56.100 -0.053 0.000 0.914 270 R CB 1.194 31.458 30.300 -0.061 0.000 1.191 270 R HN 0.895 nan 8.270 nan 0.000 0.435 271 S N 2.649 118.330 115.700 -0.032 0.000 3.697 271 S HA -0.171 4.299 4.470 0.000 0.000 0.388 271 S C 0.971 175.554 174.600 -0.028 0.000 0.941 271 S CA 1.213 59.398 58.200 -0.024 0.000 1.247 271 S CB -1.341 61.847 63.200 -0.021 0.000 0.904 271 S HN 1.294 nan 8.310 nan 0.000 0.518 272 G N 0.373 109.154 108.800 -0.032 0.000 2.228 272 G HA2 -0.351 3.609 3.960 0.000 0.000 0.270 272 G HA3 -0.351 3.609 3.960 0.000 0.000 0.270 272 G C -0.197 174.674 174.900 -0.048 0.000 0.976 272 G CA 1.044 46.123 45.100 -0.035 0.000 0.636 272 G HN 1.041 nan 8.290 nan 0.000 0.542 273 E N -0.369 119.798 120.200 -0.055 0.000 2.212 273 E HA 0.717 5.067 4.350 0.000 0.000 0.270 273 E C -0.636 175.904 176.600 -0.101 0.000 0.956 273 E CA -1.407 54.952 56.400 -0.067 0.000 0.825 273 E CB 2.083 31.754 29.700 -0.047 0.000 1.167 273 E HN 0.210 nan 8.360 nan 0.000 0.400 274 L N 3.656 124.798 121.223 -0.135 0.000 2.261 274 L HA 0.112 4.452 4.340 0.000 0.000 0.289 274 L C 0.010 176.757 176.870 -0.205 0.000 1.059 274 L CA -0.345 54.367 54.840 -0.214 0.000 0.816 274 L CB 0.698 42.568 42.059 -0.314 0.000 1.191 274 L HN 0.759 nan 8.230 nan 0.000 0.431 275 L N 4.465 125.565 121.223 -0.204 0.000 2.145 275 L HA 0.247 4.587 4.340 0.000 0.000 0.201 275 L C 1.014 177.750 176.870 -0.224 0.000 1.075 275 L CA 0.953 55.702 54.840 -0.152 0.000 0.773 275 L CB -0.784 41.214 42.059 -0.102 0.000 0.936 275 L HN 0.803 nan 8.230 nan 0.000 0.451 276 R N -1.307 118.995 120.500 -0.329 0.000 2.733 276 R HA 0.525 4.865 4.340 0.000 0.000 0.272 276 R C -1.678 174.427 176.300 -0.324 0.000 1.029 276 R CA -0.728 55.174 56.100 -0.330 0.000 0.888 276 R CB 1.506 31.765 30.300 -0.069 0.000 1.251 276 R HN -0.208 nan 8.270 nan 0.000 0.464 277 I N 1.128 121.592 120.570 -0.177 0.000 2.646 277 I HA 0.594 4.764 4.170 0.000 0.000 0.299 277 I C -0.110 175.974 176.117 -0.055 0.000 1.036 277 I CA -0.852 60.384 61.300 -0.105 0.000 1.074 277 I CB 1.896 39.883 38.000 -0.022 0.000 1.258 277 I HN 0.672 nan 8.210 nan 0.000 0.430 278 R N 2.328 122.803 120.500 -0.042 0.000 2.867 278 R HA 0.823 5.163 4.340 0.000 0.000 0.268 278 R C -0.894 175.388 176.300 -0.031 0.000 1.014 278 R CA -1.030 55.046 56.100 -0.040 0.000 0.946 278 R CB 2.382 32.661 30.300 -0.035 0.000 1.208 278 R HN 0.701 nan 8.270 nan 0.000 0.477 279 A N 1.542 124.335 122.820 -0.045 0.000 2.301 279 A HA 0.394 4.714 4.320 0.000 0.000 0.298 279 A C -0.261 177.285 177.584 -0.062 0.000 1.185 279 A CA -0.369 51.638 52.037 -0.049 0.000 0.830 279 A CB 0.473 19.433 19.000 -0.067 0.000 1.112 279 A HN 0.652 nan 8.150 nan 0.000 0.508 280 R N 2.330 122.801 120.500 -0.049 0.000 2.255 280 R HA 0.247 4.587 4.340 0.000 0.000 0.326 280 R C -0.178 176.076 176.300 -0.077 0.000 0.986 280 R CA -0.355 55.717 56.100 -0.048 0.000 0.847 280 R CB 0.668 30.957 30.300 -0.018 0.000 1.111 280 R HN 0.875 nan 8.270 nan 0.000 0.452 281 E N 3.608 123.753 120.200 -0.092 0.000 2.415 281 E HA 0.011 4.361 4.350 0.000 0.000 0.260 281 E C -1.190 175.365 176.600 -0.075 0.000 1.016 281 E CA 0.124 56.455 56.400 -0.115 0.000 0.924 281 E CB 0.909 30.549 29.700 -0.100 0.000 0.961 281 E HN 0.377 nan 8.360 nan 0.000 0.459 282 V N 7.133 126.997 119.914 -0.084 0.000 2.554 282 V HA 0.204 4.324 4.120 0.000 0.000 0.258 282 V C -2.277 173.790 176.094 -0.044 0.000 0.919 282 V CA -1.624 60.647 62.300 -0.049 0.000 0.910 282 V CB 1.242 33.042 31.823 -0.038 0.000 1.100 282 V HN 0.637 nan 8.190 nan 0.000 0.491 283 P HA -0.284 nan 4.420 nan 0.000 0.222 283 P C 1.543 178.849 177.300 0.010 0.000 1.157 283 P CA 2.518 65.620 63.100 0.004 0.000 0.905 283 P CB 0.246 31.958 31.700 0.019 0.000 0.792 284 E N -0.740 119.461 120.200 0.002 0.000 2.023 284 E HA -0.137 4.213 4.350 0.000 0.000 0.196 284 E C 2.020 178.623 176.600 0.005 0.000 1.003 284 E CA 1.369 57.772 56.400 0.005 0.000 0.809 284 E CB -1.439 28.260 29.700 -0.001 0.000 0.755 284 E HN 0.238 nan 8.360 nan 0.000 0.449 285 V N 1.425 121.336 119.914 -0.004 0.000 3.793 285 V HA 0.055 4.175 4.120 0.000 0.000 0.191 285 V C 0.542 176.637 176.094 0.001 0.000 1.187 285 V CA 0.324 62.623 62.300 -0.001 0.000 1.444 285 V CB -0.020 31.798 31.823 -0.008 0.000 1.591 285 V HN 0.373 nan 8.190 nan 0.000 0.465 286 N N 0.410 119.106 118.700 -0.005 0.000 2.412 286 N HA -0.088 4.652 4.740 0.000 0.000 0.254 286 N C 0.670 176.148 175.510 -0.055 0.000 1.232 286 N CA 0.675 53.724 53.050 -0.002 0.000 0.880 286 N CB 0.987 39.469 38.487 -0.008 0.000 1.076 286 N HN 0.603 nan 8.380 nan 0.000 0.458 287 E N 3.076 123.221 120.200 -0.090 0.000 2.021 287 E HA 0.002 4.352 4.350 0.000 0.000 0.189 287 E C 1.247 177.561 176.600 -0.477 0.000 0.980 287 E CA 1.062 57.303 56.400 -0.265 0.000 0.803 287 E CB 0.164 29.669 29.700 -0.324 0.000 0.766 287 E HN 0.752 nan 8.360 nan 0.000 0.449 288 I N -1.492 118.652 120.570 -0.710 0.000 3.485 288 I HA 0.094 4.264 4.170 0.000 0.000 0.369 288 I C -1.404 174.291 176.117 -0.703 0.000 1.083 288 I CA -0.098 60.767 61.300 -0.724 0.000 0.992 288 I CB -0.556 36.892 38.000 -0.920 0.000 2.902 288 I HN 0.064 nan 8.210 nan 0.000 0.859 289 W N 2.019 123.270 121.300 -0.082 0.000 2.485 289 W HA 0.708 5.368 4.660 0.000 0.000 0.364 289 W C -0.131 176.382 176.519 -0.009 0.000 1.171 289 W CA -0.957 56.371 57.345 -0.029 0.000 1.304 289 W CB 1.220 30.689 29.460 0.015 0.000 1.335 289 W HN -0.203 nan 8.180 nan 0.000 0.643 290 I N 2.243 122.997 120.570 0.307 0.000 2.685 290 I HA 0.062 4.232 4.170 0.000 0.000 0.289 290 I C 0.080 176.247 176.117 0.085 0.000 1.292 290 I CA -1.308 60.069 61.300 0.128 0.000 1.050 290 I CB 0.449 38.453 38.000 0.007 0.000 1.301 290 I HN 0.678 nan 8.210 nan 0.000 0.425 291 C N 3.922 123.233 119.300 0.019 0.000 2.700 291 C HA 0.259 4.720 4.460 0.000 0.000 0.397 291 C C 1.649 176.432 174.990 -0.346 0.000 1.301 291 C CA -0.144 58.729 59.018 -0.241 0.000 2.219 291 C CB 0.560 28.088 27.740 -0.353 0.000 2.699 291 C HN 0.812 nan 8.230 nan 0.000 0.669 292 D N 1.597 121.737 120.400 -0.434 0.000 2.117 292 D HA -0.078 4.563 4.640 0.000 0.000 0.198 292 D C 2.364 178.354 176.300 -0.516 0.000 0.982 292 D CA 2.028 55.808 54.000 -0.367 0.000 0.828 292 D CB -0.645 40.132 40.800 -0.038 0.000 0.967 292 D HN 0.853 nan 8.370 nan 0.000 0.464 293 A N 1.127 123.348 122.820 -0.998 0.000 1.892 293 A HA -0.135 4.185 4.320 0.000 0.000 0.218 293 A C 2.401 179.717 177.584 -0.447 0.000 1.188 293 A CA 2.391 53.545 52.037 -1.470 0.000 0.631 293 A CB -1.127 17.062 19.000 -1.351 0.000 0.822 293 A HN 0.338 nan 8.150 nan 0.000 0.447 294 G N -1.230 107.411 108.800 -0.265 0.000 2.430 294 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 294 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 294 G C 1.692 176.627 174.900 0.058 0.000 1.146 294 G CA 0.868 45.976 45.100 0.013 0.000 0.793 294 G HN 0.590 nan 8.290 nan 0.000 0.537 295 R N -0.614 119.778 120.500 -0.179 0.000 2.073 295 R HA 0.069 4.409 4.340 0.000 0.000 0.229 295 R C 1.408 177.580 176.300 -0.212 0.000 1.120 295 R CA 1.066 56.976 56.100 -0.317 0.000 0.967 295 R CB -0.234 29.610 30.300 -0.761 0.000 0.862 295 R HN 0.338 nan 8.270 nan 0.000 0.436 296 F N -0.346 119.719 119.950 0.192 0.000 2.695 296 F HA 0.370 4.897 4.527 0.000 0.000 0.303 296 F C 1.081 177.068 175.800 0.312 0.000 1.091 296 F CA -0.127 58.039 58.000 0.277 0.000 1.300 296 F CB 0.668 39.854 39.000 0.311 0.000 1.071 296 F HN 0.032 nan 8.300 nan 0.000 0.578 297 G N 0.784 109.882 108.800 0.496 0.000 3.343 297 G HA2 0.211 4.171 3.960 0.000 0.000 0.279 297 G HA3 0.211 4.171 3.960 0.000 0.000 0.279 297 G C 0.463 175.723 174.900 0.600 0.000 0.919 297 G CA -0.057 45.391 45.100 0.579 0.000 1.812 297 G HN 0.647 nan 8.290 nan 0.000 0.584 298 H N -1.254 118.086 119.070 0.450 0.000 3.726 298 H HA 0.196 4.752 4.556 0.000 0.000 0.262 298 H C 0.511 175.828 175.328 -0.018 0.000 1.181 298 H CA -0.235 55.855 56.048 0.070 0.000 1.143 298 H CB 0.377 30.053 29.762 -0.143 0.000 1.627 298 H HN 0.310 nan 8.280 nan 0.000 0.750 299 E N 1.788 122.014 120.200 0.043 0.000 2.160 299 E HA -0.118 4.232 4.350 0.000 0.000 0.195 299 E C 1.802 178.521 176.600 0.199 0.000 0.991 299 E CA 1.563 58.025 56.400 0.103 0.000 0.810 299 E CB -0.169 29.572 29.700 0.067 0.000 0.742 299 E HN 0.738 nan 8.360 nan 0.000 0.466 300 W N 0.569 121.928 121.300 0.098 0.000 2.441 300 W HA 0.178 4.838 4.660 0.000 0.000 0.302 300 W C 2.042 178.711 176.519 0.250 0.000 1.191 300 W CA 0.840 58.283 57.345 0.162 0.000 1.327 300 W CB -1.352 28.193 29.460 0.142 0.000 1.128 300 W HN -0.027 nan 8.180 nan 0.000 0.522 301 A N 1.525 123.945 122.820 -0.667 0.000 1.908 301 A HA -0.274 4.046 4.320 0.000 0.000 0.218 301 A C 1.916 179.401 177.584 -0.165 0.000 1.181 301 A CA 2.438 54.206 52.037 -0.449 0.000 0.627 301 A CB -1.269 17.254 19.000 -0.794 0.000 0.818 301 A HN 0.249 nan 8.150 nan 0.000 0.445 302 D N -0.729 119.568 120.400 -0.172 0.000 2.204 302 D HA -0.145 4.495 4.640 0.000 0.000 0.189 302 D C 1.358 177.647 176.300 -0.019 0.000 1.006 302 D CA 1.277 55.232 54.000 -0.075 0.000 0.855 302 D CB -0.045 40.752 40.800 -0.004 0.000 0.946 302 D HN 0.413 nan 8.370 nan 0.000 0.448 303 Q N 0.033 119.854 119.800 0.035 0.000 2.386 303 Q HA 0.153 4.493 4.340 0.000 0.000 0.172 303 Q C 0.022 176.047 176.000 0.041 0.000 1.009 303 Q CA -0.624 55.209 55.803 0.050 0.000 1.039 303 Q CB -0.385 28.399 28.738 0.076 0.000 1.544 303 Q HN 0.168 nan 8.270 nan 0.000 0.515 304 N N 1.965 120.686 118.700 0.035 0.000 1.531 304 N HA -0.216 4.524 4.740 0.000 0.000 0.357 304 N C -0.124 175.296 175.510 -0.150 0.000 1.248 304 N CA 1.053 54.098 53.050 -0.007 0.000 0.793 304 N CB 0.042 38.554 38.487 0.042 0.000 1.023 304 N HN 0.328 nan 8.380 nan 0.000 0.521 305 R N 1.453 121.838 120.500 -0.191 0.000 2.781 305 R HA 0.435 4.775 4.340 0.000 0.000 0.269 305 R C -1.214 175.000 176.300 -0.144 0.000 1.025 305 R CA -0.864 55.016 56.100 -0.366 0.000 0.914 305 R CB 1.033 31.161 30.300 -0.287 0.000 1.236 305 R HN 0.298 nan 8.270 nan 0.000 0.465 306 L N 2.131 123.301 121.223 -0.088 0.000 2.326 306 L HA 0.379 4.719 4.340 0.000 0.000 0.278 306 L C -0.367 176.537 176.870 0.058 0.000 1.092 306 L CA 0.500 55.352 54.840 0.021 0.000 0.810 306 L CB 1.198 43.303 42.059 0.078 0.000 1.153 306 L HN 0.732 nan 8.230 nan 0.000 0.439 307 K N 1.052 121.493 120.400 0.069 0.000 2.464 307 K HA 0.245 4.565 4.320 0.000 0.000 0.206 307 K C -0.237 176.442 176.600 0.132 0.000 1.186 307 K CA 0.446 56.792 56.287 0.097 0.000 0.990 307 K CB 0.491 33.032 32.500 0.068 0.000 1.003 307 K HN 0.692 nan 8.250 nan 0.000 0.562 308 T N 0.119 114.732 114.554 0.098 0.000 2.848 308 T HA 0.436 4.786 4.350 0.000 0.000 0.285 308 T C -2.996 171.711 174.700 0.013 0.000 0.995 308 T CA -2.604 59.543 62.100 0.080 0.000 0.970 308 T CB 2.035 70.935 68.868 0.054 0.000 0.976 308 T HN -0.218 nan 8.240 nan 0.000 0.441 309 P HA 0.192 nan 4.420 nan 0.000 0.267 309 P C -0.579 176.656 177.300 -0.109 0.000 1.205 309 P CA -0.322 62.654 63.100 -0.206 0.000 0.765 309 P CB 0.678 32.023 31.700 -0.591 0.000 0.828 310 L N 3.611 124.804 121.223 -0.049 0.000 2.325 310 L HA 0.599 4.939 4.340 0.000 0.000 0.279 310 L C 0.496 177.361 176.870 -0.009 0.000 1.054 310 L CA -0.942 53.889 54.840 -0.014 0.000 0.804 310 L CB 1.906 43.976 42.059 0.018 0.000 1.200 310 L HN 0.186 nan 8.230 nan 0.000 0.436 311 V N 3.619 123.533 119.914 0.001 0.000 2.789 311 V HA 0.423 4.543 4.120 0.000 0.000 0.311 311 V C -0.435 175.669 176.094 0.017 0.000 1.073 311 V CA -0.775 61.536 62.300 0.018 0.000 0.921 311 V CB 2.323 34.151 31.823 0.009 0.000 1.009 311 V HN 0.831 nan 8.190 nan 0.000 0.426 312 R N 5.005 125.519 120.500 0.023 0.000 2.248 312 R HA 0.416 4.756 4.340 0.000 0.000 0.337 312 R C -0.482 175.800 176.300 -0.030 0.000 1.085 312 R CA -0.061 56.034 56.100 -0.008 0.000 0.934 312 R CB 0.166 30.447 30.300 -0.032 0.000 1.034 312 R HN 0.702 nan 8.270 nan 0.000 0.465 313 K N 3.469 123.854 120.400 -0.024 0.000 2.541 313 K HA 0.110 4.431 4.320 0.000 0.000 0.250 313 K C -0.921 175.664 176.600 -0.026 0.000 0.950 313 K CA -0.455 55.815 56.287 -0.028 0.000 0.805 313 K CB 1.053 33.542 32.500 -0.018 0.000 1.166 313 K HN 0.595 nan 8.250 nan 0.000 0.430 314 E N 2.183 122.364 120.200 -0.031 0.000 2.919 314 E HA -0.155 4.196 4.350 0.000 0.000 0.299 314 E C 0.292 176.875 176.600 -0.029 0.000 0.951 314 E CA 0.969 57.353 56.400 -0.026 0.000 0.952 314 E CB -1.600 28.089 29.700 -0.018 0.000 1.465 314 E HN 1.203 nan 8.360 nan 0.000 0.407 315 G N 0.478 109.254 108.800 -0.039 0.000 2.166 315 G HA2 -0.397 3.563 3.960 0.000 0.000 0.260 315 G HA3 -0.397 3.563 3.960 0.000 0.000 0.260 315 G C 0.285 175.164 174.900 -0.035 0.000 0.986 315 G CA 1.494 46.568 45.100 -0.042 0.000 0.683 315 G HN 0.594 nan 8.290 nan 0.000 0.527 316 R N -1.643 118.841 120.500 -0.026 0.000 2.817 316 R HA 0.830 5.170 4.340 0.000 0.000 0.268 316 R C -0.582 175.714 176.300 -0.007 0.000 1.027 316 R CA -1.336 54.755 56.100 -0.015 0.000 0.928 316 R CB 0.969 31.263 30.300 -0.010 0.000 1.228 316 R HN 0.015 nan 8.270 nan 0.000 0.469 317 L N 1.854 123.080 121.223 0.005 0.000 2.292 317 L HA 0.558 4.898 4.340 0.000 0.000 0.284 317 L C -0.572 176.304 176.870 0.010 0.000 1.065 317 L CA -0.588 54.260 54.840 0.014 0.000 0.806 317 L CB 1.447 43.522 42.059 0.028 0.000 1.175 317 L HN 0.499 nan 8.230 nan 0.000 0.431 318 V N 2.688 122.606 119.914 0.008 0.000 2.888 318 V HA 0.261 4.381 4.120 0.000 0.000 0.309 318 V C -0.142 175.954 176.094 0.002 0.000 1.114 318 V CA -1.124 61.179 62.300 0.005 0.000 0.940 318 V CB 2.410 34.234 31.823 0.002 0.000 1.021 318 V HN 0.789 nan 8.190 nan 0.000 0.426 319 E N 3.235 123.438 120.200 0.005 0.000 2.436 319 E HA 0.484 4.834 4.350 0.000 0.000 0.262 319 E C -0.021 176.576 176.600 -0.006 0.000 1.063 319 E CA 0.150 56.551 56.400 0.001 0.000 0.944 319 E CB 1.145 30.852 29.700 0.012 0.000 0.950 319 E HN 0.893 nan 8.360 nan 0.000 0.444 320 A N 1.704 124.512 122.820 -0.020 0.000 2.733 320 A HA 0.701 5.021 4.320 0.000 0.000 0.299 320 A C -0.767 176.807 177.584 -0.016 0.000 1.252 320 A CA -0.535 51.489 52.037 -0.020 0.000 0.677 320 A CB 1.311 20.287 19.000 -0.040 0.000 1.361 320 A HN 0.582 nan 8.150 nan 0.000 0.528 321 T N -1.123 113.428 114.554 -0.004 0.000 2.907 321 T HA 0.387 4.737 4.350 0.000 0.000 0.292 321 T C 0.204 174.924 174.700 0.033 0.000 1.043 321 T CA -0.297 61.838 62.100 0.059 0.000 1.003 321 T CB 1.041 69.972 68.868 0.105 0.000 1.084 321 T HN 0.580 nan 8.240 nan 0.000 0.483 322 W N 0.975 122.310 121.300 0.059 0.000 2.325 322 W HA -0.099 4.561 4.660 0.000 0.000 0.299 322 W C 2.220 178.798 176.519 0.099 0.000 1.215 322 W CA 0.896 58.278 57.345 0.061 0.000 1.244 322 W CB -0.120 29.351 29.460 0.019 0.000 1.140 322 W HN 0.719 nan 8.180 nan 0.000 0.523 323 E N 0.396 120.762 120.200 0.277 0.000 2.007 323 E HA -0.200 4.150 4.350 0.000 0.000 0.194 323 E C 1.834 178.563 176.600 0.215 0.000 0.999 323 E CA 1.620 58.163 56.400 0.239 0.000 0.811 323 E CB -0.850 28.951 29.700 0.168 0.000 0.762 323 E HN 0.446 nan 8.360 nan 0.000 0.450 324 E N 0.901 121.177 120.200 0.127 0.000 2.026 324 E HA -0.244 4.106 4.350 0.000 0.000 0.206 324 E C 2.114 178.757 176.600 0.072 0.000 1.028 324 E CA 1.279 57.724 56.400 0.075 0.000 0.845 324 E CB -0.317 29.405 29.700 0.036 0.000 0.772 324 E HN 0.234 nan 8.360 nan 0.000 0.462 325 A N 1.313 124.151 122.820 0.029 0.000 1.929 325 A HA -0.286 4.034 4.320 0.000 0.000 0.221 325 A C 2.045 179.701 177.584 0.119 0.000 1.211 325 A CA 2.096 54.135 52.037 0.004 0.000 0.657 325 A CB -1.064 17.830 19.000 -0.176 0.000 0.827 325 A HN 0.386 nan 8.150 nan 0.000 0.462 326 F N 0.456 120.414 119.950 0.013 0.000 2.069 326 F HA -0.166 4.361 4.527 0.000 0.000 0.298 326 F C 2.022 177.842 175.800 0.034 0.000 1.113 326 F CA 1.783 59.815 58.000 0.053 0.000 1.214 326 F CB -0.679 38.376 39.000 0.092 0.000 0.978 326 F HN 0.181 nan 8.300 nan 0.000 0.474 327 L N 0.050 121.223 121.223 -0.084 0.000 1.989 327 L HA -0.215 4.125 4.340 0.000 0.000 0.211 327 L C 2.720 179.488 176.870 -0.169 0.000 1.071 327 L CA 1.471 56.180 54.840 -0.218 0.000 0.749 327 L CB -1.424 40.586 42.059 -0.082 0.000 0.890 327 L HN 0.208 nan 8.230 nan 0.000 0.431 328 A N -0.659 122.118 122.820 -0.072 0.000 2.186 328 A HA -0.172 4.148 4.320 0.000 0.000 0.219 328 A C 2.132 179.680 177.584 -0.060 0.000 1.159 328 A CA 1.362 53.363 52.037 -0.060 0.000 0.680 328 A CB -0.455 18.539 19.000 -0.010 0.000 0.787 328 A HN 0.358 nan 8.150 nan 0.000 0.467 329 L N -0.678 120.524 121.223 -0.035 0.000 2.130 329 L HA 0.083 4.424 4.340 0.000 0.000 0.200 329 L C 2.257 179.058 176.870 -0.114 0.000 1.075 329 L CA 2.105 56.980 54.840 0.058 0.000 0.768 329 L CB -0.403 41.763 42.059 0.178 0.000 0.933 329 L HN 0.350 nan 8.230 nan 0.000 0.451 330 K N -0.179 120.072 120.400 -0.248 0.000 2.057 330 K HA -0.260 4.060 4.320 0.000 0.000 0.207 330 K C 1.892 178.338 176.600 -0.257 0.000 1.049 330 K CA 1.792 57.909 56.287 -0.283 0.000 0.931 330 K CB -0.121 32.117 32.500 -0.437 0.000 0.714 330 K HN 0.434 nan 8.250 nan 0.000 0.440 331 E N -0.893 119.156 120.200 -0.252 0.000 2.515 331 E HA -0.079 4.271 4.350 0.000 0.000 0.201 331 E C 1.084 177.512 176.600 -0.287 0.000 1.071 331 E CA 0.543 56.808 56.400 -0.224 0.000 0.880 331 E CB 0.089 29.685 29.700 -0.174 0.000 0.828 331 E HN 0.498 nan 8.360 nan 0.000 0.540 332 G N -0.402 108.133 108.800 -0.442 0.000 2.944 332 G HA2 0.077 4.037 3.960 0.000 0.000 0.220 332 G HA3 0.077 4.037 3.960 0.000 0.000 0.220 332 G C 1.111 175.623 174.900 -0.647 0.000 1.100 332 G CA -0.229 44.439 45.100 -0.720 0.000 0.780 332 G HN 0.172 nan 8.290 nan 0.000 0.539 333 L N -0.206 120.749 121.223 -0.447 0.000 2.664 333 L HA 0.339 4.680 4.340 0.000 0.000 0.233 333 L C 1.196 177.885 176.870 -0.300 0.000 1.113 333 L CA 0.057 54.665 54.840 -0.388 0.000 0.896 333 L CB 0.536 42.470 42.059 -0.207 0.000 1.163 333 L HN -0.002 nan 8.230 nan 0.000 0.497 334 K N 1.725 121.981 120.400 -0.240 0.000 2.180 334 K HA 0.086 4.406 4.320 0.000 0.000 0.250 334 K C 0.368 176.882 176.600 -0.143 0.000 1.135 334 K CA 0.274 56.461 56.287 -0.167 0.000 1.037 334 K CB 0.323 32.737 32.500 -0.143 0.000 1.624 334 K HN 0.188 nan 8.250 nan 0.000 0.382 335 E N 1.612 121.731 120.200 -0.136 0.000 1.631 335 E HA 0.076 4.426 4.350 0.000 0.000 0.211 335 E C -1.401 175.172 176.600 -0.044 0.000 1.030 335 E CA 0.102 56.460 56.400 -0.070 0.000 1.203 335 E CB 0.407 30.080 29.700 -0.045 0.000 4.325 335 E HN 0.377 nan 8.360 nan 0.000 0.835 336 A N 1.521 124.263 122.820 -0.129 0.000 2.497 336 A HA 0.664 4.984 4.320 0.000 0.000 0.280 336 A C -1.146 176.333 177.584 -0.174 0.000 1.065 336 A CA -0.588 51.402 52.037 -0.079 0.000 0.781 336 A CB 1.202 20.261 19.000 0.098 0.000 1.289 336 A HN 0.093 nan 8.150 nan 0.000 0.415 337 R N 1.768 122.220 120.500 -0.081 0.000 2.387 337 R HA 0.612 4.952 4.340 0.000 0.000 0.314 337 R C 0.762 177.046 176.300 -0.028 0.000 0.958 337 R CA 0.617 56.673 56.100 -0.073 0.000 0.846 337 R CB 0.970 31.235 30.300 -0.058 0.000 1.147 337 R HN 2.139 nan 8.270 nan 0.000 0.447 338 G N 2.946 111.734 108.800 -0.021 0.000 2.305 338 G HA2 -0.269 3.691 3.960 0.000 0.000 0.287 338 G HA3 -0.269 3.691 3.960 0.000 0.000 0.287 338 G C -0.489 174.423 174.900 0.020 0.000 1.036 338 G CA 0.543 45.643 45.100 -0.000 0.000 0.887 338 G HN 0.672 nan 8.290 nan 0.000 0.505 339 E N 0.505 120.741 120.200 0.059 0.000 2.373 339 E HA 0.295 4.645 4.350 0.000 0.000 0.233 339 E C 0.429 177.106 176.600 0.128 0.000 1.035 339 E CA -0.384 56.074 56.400 0.096 0.000 0.930 339 E CB 0.177 29.963 29.700 0.144 0.000 1.278 339 E HN 0.559 nan 8.360 nan 0.000 0.452 340 E N 0.765 120.992 120.200 0.044 0.000 2.414 340 E HA -0.178 4.172 4.350 0.000 0.000 0.173 340 E C -0.988 175.678 176.600 0.110 0.000 1.551 340 E CA -0.183 56.216 56.400 -0.002 0.000 0.661 340 E CB -0.431 29.314 29.700 0.074 0.000 1.108 340 E HN 0.143 nan 8.360 nan 0.000 0.365 341 V N 1.238 121.195 119.914 0.072 0.000 2.546 341 V HA 0.519 4.639 4.120 0.000 0.000 0.284 341 V C 1.234 177.432 176.094 0.173 0.000 1.050 341 V CA 0.308 62.703 62.300 0.157 0.000 0.981 341 V CB 1.734 33.619 31.823 0.105 0.000 0.990 341 V HN 0.452 nan 8.190 nan 0.000 0.474 342 G N 4.418 113.357 108.800 0.232 0.000 2.348 342 G HA2 0.658 4.618 3.960 0.000 0.000 0.312 342 G HA3 0.658 4.618 3.960 0.000 0.000 0.312 342 G C -0.982 173.924 174.900 0.010 0.000 1.126 342 G CA -0.561 44.647 45.100 0.179 0.000 0.865 342 G HN 0.589 nan 8.290 nan 0.000 0.474 343 L N 1.825 122.913 121.223 -0.225 0.000 2.356 343 L HA 0.480 4.820 4.340 0.000 0.000 0.277 343 L C -1.380 175.351 176.870 -0.232 0.000 0.996 343 L CA -0.881 53.941 54.840 -0.030 0.000 0.822 343 L CB 1.965 44.060 42.059 0.060 0.000 1.256 343 L HN 0.528 nan 8.230 nan 0.000 0.413 344 Y N 3.517 124.016 120.300 0.331 0.000 2.301 344 Y HA 0.451 5.001 4.550 0.000 0.000 0.325 344 Y C -0.320 175.865 175.900 0.476 0.000 1.103 344 Y CA -0.631 57.734 58.100 0.442 0.000 1.182 344 Y CB 1.361 40.158 38.460 0.563 0.000 1.139 344 Y HN 0.340 nan 8.280 nan 0.000 0.443 345 L N 2.567 124.155 121.223 0.607 0.000 2.399 345 L HA 0.844 5.184 4.340 0.000 0.000 0.265 345 L C 0.728 177.864 176.870 0.444 0.000 1.089 345 L CA -1.170 53.970 54.840 0.499 0.000 0.802 345 L CB 0.878 43.152 42.059 0.357 0.000 1.180 345 L HN 0.684 nan 8.230 nan 0.000 0.454 346 A N 0.099 123.113 122.820 0.323 0.000 2.366 346 A HA 0.116 4.436 4.320 0.000 0.000 0.249 346 A C 1.218 178.763 177.584 -0.065 0.000 1.084 346 A CA -0.129 51.970 52.037 0.104 0.000 0.794 346 A CB 0.048 19.131 19.000 0.138 0.000 1.034 346 A HN 0.996 nan 8.150 nan 0.000 0.491 347 H N 0.698 119.611 119.070 -0.261 0.000 2.387 347 H HA -0.156 4.400 4.556 0.000 0.000 0.299 347 H C 0.343 175.566 175.328 -0.176 0.000 1.099 347 H CA 1.788 57.694 56.048 -0.236 0.000 1.315 347 H CB -0.444 29.162 29.762 -0.261 0.000 1.380 347 H HN 0.719 nan 8.280 nan 0.000 0.513 348 D N 1.011 120.810 120.400 -1.001 0.000 2.676 348 D HA 0.361 5.001 4.640 0.000 0.000 0.239 348 D C 0.208 176.337 176.300 -0.285 0.000 1.213 348 D CA -0.011 53.559 54.000 -0.717 0.000 0.835 348 D CB -0.098 40.322 40.800 -0.634 0.000 1.009 348 D HN 0.557 nan 8.370 nan 0.000 0.479 349 A N 0.888 123.581 122.820 -0.212 0.000 2.440 349 A HA 0.463 4.784 4.320 0.000 0.000 0.251 349 A C 1.056 178.584 177.584 -0.094 0.000 1.089 349 A CA -0.412 51.574 52.037 -0.085 0.000 0.779 349 A CB 0.084 19.063 19.000 -0.036 0.000 1.022 349 A HN 0.430 nan 8.150 nan 0.000 0.492 350 T N 0.491 115.027 114.554 -0.031 0.000 2.748 350 T HA 0.209 4.559 4.350 0.000 0.000 0.304 350 T C 1.098 175.788 174.700 -0.016 0.000 1.041 350 T CA -0.088 62.004 62.100 -0.013 0.000 1.033 350 T CB 0.299 69.184 68.868 0.029 0.000 0.995 350 T HN 0.518 nan 8.240 nan 0.000 0.536 351 L N 0.788 122.017 121.223 0.011 0.000 2.131 351 L HA 0.054 4.394 4.340 0.000 0.000 0.210 351 L C 2.427 179.310 176.870 0.021 0.000 1.092 351 L CA 1.793 56.641 54.840 0.013 0.000 0.759 351 L CB -1.092 41.005 42.059 0.063 0.000 0.903 351 L HN 0.803 nan 8.230 nan 0.000 0.435 352 E N -0.405 119.822 120.200 0.046 0.000 2.016 352 E HA -0.168 4.182 4.350 0.000 0.000 0.190 352 E C 2.086 178.683 176.600 -0.005 0.000 0.985 352 E CA 1.301 57.747 56.400 0.076 0.000 0.802 352 E CB -0.336 29.443 29.700 0.132 0.000 0.762 352 E HN 0.453 nan 8.360 nan 0.000 0.448 353 E N 0.196 120.404 120.200 0.013 0.000 2.187 353 E HA -0.207 4.143 4.350 0.000 0.000 0.199 353 E C 2.007 178.587 176.600 -0.032 0.000 1.004 353 E CA 1.070 57.471 56.400 0.001 0.000 0.813 353 E CB -0.296 29.437 29.700 0.054 0.000 0.736 353 E HN 0.381 nan 8.360 nan 0.000 0.468 354 G N 1.089 109.870 108.800 -0.032 0.000 2.424 354 G HA2 -0.227 3.733 3.960 0.000 0.000 0.214 354 G HA3 -0.227 3.733 3.960 0.000 0.000 0.214 354 G C 1.445 176.300 174.900 -0.076 0.000 1.202 354 G CA 0.492 45.577 45.100 -0.025 0.000 0.793 354 G HN 0.153 nan 8.290 nan 0.000 0.534 355 L N 0.608 121.769 121.223 -0.105 0.000 1.963 355 L HA -0.123 4.217 4.340 0.000 0.000 0.220 355 L C 2.621 179.228 176.870 -0.439 0.000 1.076 355 L CA 2.251 56.993 54.840 -0.164 0.000 0.772 355 L CB -1.011 41.024 42.059 -0.039 0.000 0.892 355 L HN 0.238 nan 8.230 nan 0.000 0.435 356 L N 0.244 120.969 121.223 -0.830 0.000 1.951 356 L HA -0.255 4.085 4.340 0.000 0.000 0.222 356 L C 2.552 179.154 176.870 -0.447 0.000 1.078 356 L CA 2.842 57.021 54.840 -1.103 0.000 0.778 356 L CB -1.560 40.019 42.059 -0.800 0.000 0.893 356 L HN 0.380 nan 8.230 nan 0.000 0.436 357 A N -1.264 121.414 122.820 -0.237 0.000 1.940 357 A HA -0.354 3.966 4.320 0.000 0.000 0.221 357 A C 2.500 180.042 177.584 -0.070 0.000 1.190 357 A CA 2.794 54.778 52.037 -0.089 0.000 0.647 357 A CB -1.491 17.523 19.000 0.024 0.000 0.821 357 A HN 0.712 nan 8.150 nan 0.000 0.457 358 S N -0.926 114.727 115.700 -0.080 0.000 2.380 358 S HA -0.207 4.263 4.470 0.000 0.000 0.217 358 S C 1.966 176.538 174.600 -0.046 0.000 1.036 358 S CA 1.569 59.749 58.200 -0.034 0.000 1.050 358 S CB -0.498 62.689 63.200 -0.021 0.000 1.016 358 S HN 0.573 nan 8.310 nan 0.000 0.419 359 E N 0.950 121.103 120.200 -0.077 0.000 2.136 359 E HA -0.215 4.135 4.350 0.000 0.000 0.202 359 E C 2.071 178.662 176.600 -0.015 0.000 1.019 359 E CA 1.390 57.777 56.400 -0.021 0.000 0.819 359 E CB -0.818 28.898 29.700 0.027 0.000 0.739 359 E HN 0.562 nan 8.360 nan 0.000 0.458 360 L N 0.460 121.650 121.223 -0.054 0.000 2.131 360 L HA -0.045 4.295 4.340 0.000 0.000 0.210 360 L C 2.124 178.985 176.870 -0.015 0.000 1.092 360 L CA 2.084 56.908 54.840 -0.028 0.000 0.759 360 L CB -0.454 41.576 42.059 -0.049 0.000 0.903 360 L HN 0.034 nan 8.230 nan 0.000 0.435 361 A N -0.944 121.865 122.820 -0.018 0.000 2.067 361 A HA -0.114 4.206 4.320 0.000 0.000 0.217 361 A C 2.367 179.944 177.584 -0.012 0.000 1.156 361 A CA 1.315 53.343 52.037 -0.016 0.000 0.683 361 A CB -0.437 18.557 19.000 -0.010 0.000 0.808 361 A HN 0.519 nan 8.150 nan 0.000 0.455 362 K N -0.081 120.318 120.400 -0.001 0.000 2.005 362 K HA 0.043 4.363 4.320 0.000 0.000 0.206 362 K C 2.219 178.823 176.600 0.007 0.000 1.044 362 K CA 1.032 57.323 56.287 0.007 0.000 0.942 362 K CB -0.347 32.164 32.500 0.018 0.000 0.727 362 K HN 0.278 nan 8.250 nan 0.000 0.439 363 A N 1.332 124.160 122.820 0.012 0.000 1.917 363 A HA -0.140 4.181 4.320 0.000 0.000 0.219 363 A C 1.193 178.781 177.584 0.005 0.000 1.182 363 A CA 1.057 53.102 52.037 0.014 0.000 0.633 363 A CB -0.565 18.449 19.000 0.023 0.000 0.819 363 A HN 0.382 nan 8.150 nan 0.000 0.448 364 L N 0.474 121.696 121.223 -0.001 0.000 2.404 364 L HA 0.247 4.587 4.340 0.000 0.000 0.277 364 L C 1.020 177.877 176.870 -0.022 0.000 1.184 364 L CA 0.217 55.051 54.840 -0.010 0.000 1.013 364 L CB -0.399 41.653 42.059 -0.011 0.000 1.318 364 L HN 0.288 nan 8.230 nan 0.000 0.435 365 K N 1.128 121.518 120.400 -0.017 0.000 2.293 365 K HA -0.119 4.201 4.320 0.000 0.000 0.204 365 K C 0.160 176.734 176.600 -0.044 0.000 1.045 365 K CA 1.619 57.892 56.287 -0.022 0.000 0.933 365 K CB -0.102 32.391 32.500 -0.012 0.000 0.736 365 K HN 0.799 nan 8.250 nan 0.000 0.463 366 T N 0.987 115.505 114.554 -0.061 0.000 3.400 366 T HA 0.297 4.647 4.350 0.000 0.000 0.364 366 T C -2.509 172.057 174.700 -0.222 0.000 1.636 366 T CA -1.563 60.471 62.100 -0.109 0.000 1.211 366 T CB 1.222 70.047 68.868 -0.071 0.000 1.180 366 T HN 0.065 nan 8.240 nan 0.000 0.730 367 P HA 0.687 nan 4.420 nan 0.000 0.318 367 P C -1.875 175.166 177.300 -0.433 0.000 1.209 367 P CA -0.849 62.034 63.100 -0.361 0.000 0.926 367 P CB 1.914 33.535 31.700 -0.132 0.000 1.368 368 H N -1.258 117.784 119.070 -0.048 0.000 5.312 368 H HA 0.320 4.876 4.556 0.000 0.000 0.786 368 H C -0.787 174.433 175.328 -0.179 0.000 1.978 368 H CA -0.884 55.129 56.048 -0.058 0.000 1.573 368 H CB -1.711 28.042 29.762 -0.015 0.000 3.839 368 H HN 0.400 nan 8.280 nan 0.000 0.562 369 L N -0.833 120.398 121.223 0.013 0.000 2.397 369 L HA 1.022 5.362 4.340 0.000 0.000 0.266 369 L C -0.682 176.175 176.870 -0.021 0.000 1.040 369 L CA -0.816 53.957 54.840 -0.112 0.000 0.800 369 L CB 1.879 43.943 42.059 0.008 0.000 1.324 369 L HN 0.422 nan 8.230 nan 0.000 0.469 370 D N -1.868 118.596 120.400 0.106 0.000 2.755 370 D HA 0.492 5.132 4.640 0.000 0.000 0.277 370 D C -1.466 175.091 176.300 0.428 0.000 1.261 370 D CA -0.319 53.806 54.000 0.209 0.000 0.759 370 D CB 1.505 42.577 40.800 0.453 0.000 1.279 370 D HN 0.315 nan 8.370 nan 0.000 0.420 371 F N 0.753 120.839 119.950 0.227 0.000 2.408 371 F HA 0.375 4.902 4.527 0.000 0.000 0.325 371 F C 2.002 177.571 175.800 -0.386 0.000 1.082 371 F CA -0.747 57.253 58.000 0.000 0.000 1.032 371 F CB 0.263 39.221 39.000 -0.072 0.000 1.259 371 F HN 0.379 nan 8.300 nan 0.000 0.503 372 Q N 0.193 119.687 119.800 -0.511 0.000 2.508 372 Q HA 0.056 4.397 4.340 0.000 0.000 0.214 372 Q C 0.669 175.587 176.000 -1.804 0.000 0.979 372 Q CA 1.308 56.158 55.803 -1.588 0.000 0.911 372 Q CB -0.217 27.593 28.738 -1.548 0.000 0.969 372 Q HN 0.995 nan 8.270 nan 0.000 0.504 373 G N 0.590 108.688 108.800 -1.171 0.000 5.364 373 G HA2 -0.003 3.957 3.960 0.000 0.000 0.220 373 G HA3 -0.003 3.957 3.960 0.000 0.000 0.220 373 G C -0.590 174.295 174.900 -0.026 0.000 0.838 373 G CA -0.712 43.877 45.100 -0.850 0.000 0.727 373 G HN 0.113 nan 8.290 nan 0.000 0.303 374 R N 1.958 122.515 120.500 0.095 0.000 2.494 374 R HA 0.059 4.399 4.340 0.000 0.000 0.291 374 R C 0.123 176.620 176.300 0.329 0.000 0.953 374 R CA 0.981 57.200 56.100 0.199 0.000 1.098 374 R CB -0.107 29.983 30.300 -0.349 0.000 0.911 374 R HN 0.230 nan 8.270 nan 0.000 0.407 375 T N 1.550 116.249 114.554 0.242 0.000 2.907 375 T HA 0.338 4.688 4.350 0.000 0.000 0.298 375 T C 1.616 176.411 174.700 0.158 0.000 1.017 375 T CA -0.272 61.945 62.100 0.196 0.000 1.118 375 T CB 1.625 70.579 68.868 0.143 0.000 0.948 375 T HN 0.578 nan 8.240 nan 0.000 0.531 376 A N 2.547 125.448 122.820 0.135 0.000 1.948 376 A HA 0.244 4.564 4.320 0.000 0.000 0.220 376 A C 1.661 179.304 177.584 0.099 0.000 1.177 376 A CA 1.244 53.350 52.037 0.114 0.000 0.636 376 A CB -0.988 18.072 19.000 0.101 0.000 0.815 376 A HN 1.399 nan 8.150 nan 0.000 0.449 377 A N 0.307 123.193 122.820 0.109 0.000 2.322 377 A HA 0.599 4.919 4.320 0.000 0.000 0.327 377 A C -2.726 174.968 177.584 0.182 0.000 1.394 377 A CA -1.789 50.330 52.037 0.136 0.000 0.921 377 A CB 0.093 19.194 19.000 0.169 0.000 1.153 377 A HN 0.161 nan 8.150 nan 0.000 0.523 378 P HA 0.030 nan 4.420 nan 0.000 0.261 378 P C 0.969 178.418 177.300 0.249 0.000 1.173 378 P CA 0.679 63.888 63.100 0.182 0.000 0.760 378 P CB 0.899 32.675 31.700 0.128 0.000 0.783 379 A N 3.032 126.001 122.820 0.248 0.000 2.067 379 A HA -0.114 4.206 4.320 0.000 0.000 0.219 379 A C 1.919 179.673 177.584 0.284 0.000 1.158 379 A CA 1.374 53.571 52.037 0.267 0.000 0.661 379 A CB -1.061 18.034 19.000 0.158 0.000 0.801 379 A HN 0.494 nan 8.150 nan 0.000 0.452 380 S N 0.254 116.060 115.700 0.178 0.000 2.595 380 S HA 0.016 4.486 4.470 0.000 0.000 0.235 380 S C 1.529 176.111 174.600 -0.029 0.000 0.974 380 S CA 0.287 58.512 58.200 0.042 0.000 0.942 380 S CB -0.232 62.909 63.200 -0.100 0.000 0.766 380 S HN 0.438 nan 8.310 nan 0.000 0.536 381 L N 0.434 121.679 121.223 0.038 0.000 1.993 381 L HA 0.108 4.448 4.340 0.000 0.000 0.206 381 L C 0.364 177.096 176.870 -0.230 0.000 1.074 381 L CA 1.409 56.126 54.840 -0.206 0.000 0.746 381 L CB -1.155 40.609 42.059 -0.492 0.000 0.896 381 L HN 0.297 nan 8.230 nan 0.000 0.435 382 F N 1.603 121.546 119.950 -0.012 0.000 2.456 382 F HA 0.257 4.784 4.527 0.000 0.000 0.358 382 F C -1.621 174.181 175.800 0.003 0.000 1.095 382 F CA -3.281 54.720 58.000 0.002 0.000 1.216 382 F CB -0.963 38.044 39.000 0.011 0.000 1.125 382 F HN 0.045 nan 8.300 nan 0.000 0.549 383 P HA 0.123 nan 4.420 nan 0.000 0.271 383 P C -2.680 174.687 177.300 0.112 0.000 1.220 383 P CA -1.394 61.767 63.100 0.102 0.000 0.768 383 P CB 0.418 32.163 31.700 0.074 0.000 0.848 384 P HA 0.025 nan 4.420 nan 0.000 0.258 384 P C -0.277 177.055 177.300 0.053 0.000 1.172 384 P CA 0.857 64.000 63.100 0.071 0.000 0.762 384 P CB 0.039 31.779 31.700 0.067 0.000 0.764 385 A N 3.194 126.038 122.820 0.039 0.000 2.312 385 A HA 0.593 4.913 4.320 0.000 0.000 0.326 385 A C 0.247 177.835 177.584 0.006 0.000 1.172 385 A CA -0.343 51.707 52.037 0.022 0.000 0.821 385 A CB 0.862 19.870 19.000 0.014 0.000 1.166 385 A HN 0.425 nan 8.150 nan 0.000 0.493 386 S N 0.828 116.529 115.700 0.002 0.000 2.651 386 S HA 0.448 4.918 4.470 0.000 0.000 0.291 386 S C 0.766 175.356 174.600 -0.016 0.000 1.141 386 S CA -0.657 57.542 58.200 -0.002 0.000 1.027 386 S CB 0.498 63.701 63.200 0.005 0.000 1.043 386 S HN 0.512 nan 8.310 nan 0.000 0.530 387 L N 2.926 124.142 121.223 -0.011 0.000 2.141 387 L HA 0.106 4.446 4.340 0.000 0.000 0.209 387 L C 2.426 179.293 176.870 -0.005 0.000 1.094 387 L CA 1.622 56.453 54.840 -0.013 0.000 0.763 387 L CB -1.160 40.902 42.059 0.005 0.000 0.908 387 L HN 0.823 nan 8.230 nan 0.000 0.437 388 E N -0.033 120.170 120.200 0.004 0.000 2.038 388 E HA -0.211 4.139 4.350 0.000 0.000 0.195 388 E C 1.831 178.435 176.600 0.006 0.000 1.000 388 E CA 1.625 58.032 56.400 0.012 0.000 0.803 388 E CB -0.059 29.647 29.700 0.011 0.000 0.750 388 E HN 0.423 nan 8.360 nan 0.000 0.448 389 D N 0.165 120.564 120.400 -0.003 0.000 2.103 389 D HA -0.200 4.440 4.640 0.000 0.000 0.190 389 D C 2.094 178.376 176.300 -0.031 0.000 0.997 389 D CA 1.298 55.293 54.000 -0.007 0.000 0.833 389 D CB -0.647 40.149 40.800 -0.008 0.000 0.961 389 D HN 0.192 nan 8.370 nan 0.000 0.447 390 L N 1.224 122.400 121.223 -0.078 0.000 2.054 390 L HA -0.230 4.110 4.340 0.000 0.000 0.220 390 L C 2.250 179.012 176.870 -0.181 0.000 1.081 390 L CA 1.593 56.315 54.840 -0.197 0.000 0.780 390 L CB -0.794 41.131 42.059 -0.223 0.000 0.893 390 L HN 0.068 nan 8.230 nan 0.000 0.438 391 L N -1.174 120.040 121.223 -0.015 0.000 2.131 391 L HA -0.211 4.130 4.340 0.000 0.000 0.210 391 L C 2.317 179.306 176.870 0.198 0.000 1.092 391 L CA 1.309 56.237 54.840 0.147 0.000 0.759 391 L CB -0.419 41.706 42.059 0.111 0.000 0.903 391 L HN 0.490 nan 8.230 nan 0.000 0.435 392 Q N -0.476 119.387 119.800 0.106 0.000 2.360 392 Q HA 0.220 4.560 4.340 0.000 0.000 0.202 392 Q C 0.791 176.861 176.000 0.117 0.000 0.915 392 Q CA -0.191 55.671 55.803 0.100 0.000 0.943 392 Q CB 0.440 29.209 28.738 0.050 0.000 1.064 392 Q HN 0.427 nan 8.270 nan 0.000 0.511 393 A N 1.063 123.964 122.820 0.135 0.000 2.346 393 A HA 0.001 4.321 4.320 0.000 0.000 0.255 393 A C 0.431 178.174 177.584 0.265 0.000 1.113 393 A CA 0.081 52.194 52.037 0.128 0.000 0.798 393 A CB 0.298 19.296 19.000 -0.004 0.000 1.073 393 A HN 0.138 nan 8.150 nan 0.000 0.502 394 D N -1.946 118.583 120.400 0.215 0.000 2.449 394 D HA 0.284 4.924 4.640 0.000 0.000 0.210 394 D C -0.909 175.610 176.300 0.365 0.000 1.094 394 D CA 0.831 54.959 54.000 0.214 0.000 0.846 394 D CB 0.655 41.512 40.800 0.095 0.000 1.003 394 D HN 0.312 nan 8.370 nan 0.000 0.504 395 F N 0.726 120.819 119.950 0.238 0.000 2.725 395 F HA 0.466 4.993 4.527 0.000 0.000 0.309 395 F C -2.017 173.946 175.800 0.272 0.000 1.132 395 F CA -1.231 56.928 58.000 0.266 0.000 0.957 395 F CB 1.182 40.244 39.000 0.103 0.000 1.286 395 F HN -0.228 nan 8.300 nan 0.000 0.440 396 A N 4.806 127.133 122.820 -0.823 0.000 2.340 396 A HA 0.672 4.992 4.320 0.000 0.000 0.297 396 A C -2.233 174.884 177.584 -0.778 0.000 1.195 396 A CA -0.555 51.137 52.037 -0.575 0.000 0.769 396 A CB 0.979 19.795 19.000 -0.307 0.000 1.163 396 A HN 0.868 nan 8.150 nan 0.000 0.472 397 L N 4.288 125.337 121.223 -0.290 0.000 2.265 397 L HA 0.683 5.024 4.340 0.000 0.000 0.288 397 L C -0.784 176.084 176.870 -0.004 0.000 1.058 397 L CA 0.028 54.867 54.840 -0.002 0.000 0.809 397 L CB 1.139 43.414 42.059 0.360 0.000 1.179 397 L HN 0.397 nan 8.230 nan 0.000 0.429 398 V N 6.373 126.275 119.914 -0.020 0.000 2.715 398 V HA 0.472 4.592 4.120 0.000 0.000 0.310 398 V C -0.251 175.874 176.094 0.053 0.000 1.054 398 V CA -0.471 61.817 62.300 -0.021 0.000 0.928 398 V CB 1.834 33.611 31.823 -0.078 0.000 1.007 398 V HN 0.616 nan 8.190 nan 0.000 0.437 399 L N 3.345 124.591 121.223 0.039 0.000 3.025 399 L HA 0.752 5.092 4.340 0.000 0.000 0.307 399 L C 0.369 177.264 176.870 0.043 0.000 1.303 399 L CA 0.299 55.193 54.840 0.089 0.000 0.817 399 L CB 1.196 43.296 42.059 0.069 0.000 1.227 399 L HN 0.902 nan 8.230 nan 0.000 0.571 400 G N -0.658 108.138 108.800 -0.005 0.000 2.213 400 G HA2 0.086 4.046 3.960 0.000 0.000 0.249 400 G HA3 0.086 4.046 3.960 0.000 0.000 0.249 400 G C -0.997 173.870 174.900 -0.056 0.000 2.618 400 G CA -1.038 44.043 45.100 -0.032 0.000 0.788 400 G HN 0.042 nan 8.290 nan 0.000 0.498 401 D N 3.097 123.432 120.400 -0.108 0.000 5.758 401 D HA -0.047 4.593 4.640 0.000 0.000 0.222 401 D C -0.559 175.746 176.300 0.008 0.000 1.450 401 D CA -0.443 53.525 54.000 -0.055 0.000 0.892 401 D CB 0.903 41.726 40.800 0.038 0.000 1.395 401 D HN 0.196 nan 8.370 nan 0.000 0.804 402 P HA -0.139 nan 4.420 nan 0.000 0.218 402 P C 1.290 178.645 177.300 0.091 0.000 1.148 402 P CA 1.167 64.277 63.100 0.016 0.000 0.822 402 P CB 0.137 31.827 31.700 -0.017 0.000 0.784 403 T N -0.674 113.961 114.554 0.135 0.000 2.869 403 T HA -0.145 4.205 4.350 0.000 0.000 0.270 403 T C 1.339 176.126 174.700 0.145 0.000 1.082 403 T CA 1.258 63.515 62.100 0.262 0.000 1.123 403 T CB -0.372 68.692 68.868 0.326 0.000 0.856 403 T HN 0.268 nan 8.240 nan 0.000 0.499 404 E N 0.071 120.331 120.200 0.100 0.000 2.330 404 E HA 0.081 4.431 4.350 0.000 0.000 0.200 404 E C 2.221 178.828 176.600 0.012 0.000 0.922 404 E CA 0.189 56.616 56.400 0.046 0.000 0.935 404 E CB 0.091 29.837 29.700 0.078 0.000 0.917 404 E HN 0.479 nan 8.360 nan 0.000 0.491 405 E N 1.394 121.609 120.200 0.024 0.000 2.006 405 E HA -0.032 4.318 4.350 0.000 0.000 0.192 405 E C 0.683 177.281 176.600 -0.004 0.000 0.993 405 E CA 0.960 57.358 56.400 -0.002 0.000 0.808 405 E CB 0.175 29.872 29.700 -0.005 0.000 0.764 405 E HN 0.050 nan 8.360 nan 0.000 0.449 406 A N 1.044 123.877 122.820 0.021 0.000 3.216 406 A HA 0.389 4.709 4.320 0.000 0.000 0.321 406 A C -2.130 175.508 177.584 0.090 0.000 1.042 406 A CA -1.170 50.884 52.037 0.029 0.000 0.838 406 A CB 0.707 19.714 19.000 0.012 0.000 1.136 406 A HN -0.119 nan 8.150 nan 0.000 0.483 407 P HA -0.292 nan 4.420 nan 0.000 0.229 407 P C 1.352 178.898 177.300 0.409 0.000 1.147 407 P CA 1.663 64.929 63.100 0.277 0.000 0.949 407 P CB 0.163 31.916 31.700 0.088 0.000 0.786 408 I N -1.827 118.905 120.570 0.269 0.000 2.567 408 I HA -0.170 4.000 4.170 0.000 0.000 0.257 408 I C 2.114 178.298 176.117 0.112 0.000 1.184 408 I CA 1.120 62.536 61.300 0.193 0.000 1.451 408 I CB -0.827 37.268 38.000 0.158 0.000 1.089 408 I HN -0.067 nan 8.210 nan 0.000 0.441 409 L N -0.847 120.438 121.223 0.104 0.000 2.187 409 L HA -0.289 4.052 4.340 0.000 0.000 0.213 409 L C 2.456 179.381 176.870 0.091 0.000 1.100 409 L CA 1.627 56.505 54.840 0.063 0.000 0.765 409 L CB -0.967 41.108 42.059 0.025 0.000 0.904 409 L HN 0.436 nan 8.230 nan 0.000 0.437 410 H N 0.571 119.629 119.070 -0.021 0.000 2.290 410 H HA -0.179 4.377 4.556 0.000 0.000 0.298 410 H C 2.345 177.597 175.328 -0.127 0.000 1.087 410 H CA 1.564 57.559 56.048 -0.089 0.000 1.291 410 H CB 0.140 29.834 29.762 -0.112 0.000 1.369 410 H HN 0.212 nan 8.280 nan 0.000 0.492 411 L N 0.013 121.189 121.223 -0.077 0.000 2.275 411 L HA -0.121 4.219 4.340 0.000 0.000 0.215 411 L C 2.605 179.509 176.870 0.057 0.000 1.119 411 L CA 0.516 55.267 54.840 -0.149 0.000 0.790 411 L CB -0.289 41.574 42.059 -0.326 0.000 0.919 411 L HN 0.291 nan 8.230 nan 0.000 0.443 412 R N 0.436 120.993 120.500 0.096 0.000 2.062 412 R HA 0.037 4.377 4.340 0.000 0.000 0.226 412 R C 2.252 178.651 176.300 0.165 0.000 1.125 412 R CA 0.968 57.138 56.100 0.118 0.000 0.966 412 R CB -0.744 29.599 30.300 0.071 0.000 0.861 412 R HN 0.339 nan 8.270 nan 0.000 0.433 413 L N 0.808 122.137 121.223 0.177 0.000 2.187 413 L HA -0.163 4.177 4.340 0.000 0.000 0.213 413 L C 2.574 179.674 176.870 0.383 0.000 1.100 413 L CA 1.255 56.275 54.840 0.301 0.000 0.765 413 L CB -0.555 41.646 42.059 0.236 0.000 0.904 413 L HN 0.208 nan 8.230 nan 0.000 0.437 414 S N 0.219 116.145 115.700 0.377 0.000 2.365 414 S HA -0.264 4.206 4.470 0.000 0.000 0.225 414 S C 1.848 176.462 174.600 0.023 0.000 1.039 414 S CA 1.931 60.292 58.200 0.270 0.000 1.033 414 S CB -0.119 63.206 63.200 0.208 0.000 0.887 414 S HN 0.514 nan 8.310 nan 0.000 0.447 415 E N -0.687 119.573 120.200 0.099 0.000 2.152 415 E HA -0.059 4.292 4.350 0.000 0.000 0.192 415 E C 1.770 178.432 176.600 0.103 0.000 0.983 415 E CA 0.921 57.367 56.400 0.077 0.000 0.818 415 E CB -0.265 29.514 29.700 0.131 0.000 0.758 415 E HN 0.650 nan 8.360 nan 0.000 0.467 416 F N 1.597 121.550 119.950 0.004 0.000 2.069 416 F HA -0.204 4.323 4.527 0.000 0.000 0.298 416 F C 2.007 177.787 175.800 -0.033 0.000 1.113 416 F CA 1.142 59.141 58.000 -0.002 0.000 1.214 416 F CB -0.418 38.593 39.000 0.019 0.000 0.978 416 F HN -0.231 nan 8.300 nan 0.000 0.474 417 V N 0.972 120.790 119.914 -0.160 0.000 3.241 417 V HA -0.179 3.941 4.120 0.000 0.000 0.269 417 V C 1.827 177.725 176.094 -0.327 0.000 1.151 417 V CA 1.511 63.611 62.300 -0.334 0.000 1.158 417 V CB -0.938 30.711 31.823 -0.290 0.000 0.764 417 V HN 0.296 nan 8.190 nan 0.000 0.508 418 R N -0.502 119.854 120.500 -0.240 0.000 2.427 418 R HA 0.155 4.495 4.340 0.000 0.000 0.262 418 R C 0.204 176.419 176.300 -0.143 0.000 0.943 418 R CA -0.060 55.923 56.100 -0.195 0.000 1.081 418 R CB 0.078 30.283 30.300 -0.158 0.000 1.166 418 R HN 0.304 nan 8.270 nan 0.000 0.534 419 D N 1.084 121.384 120.400 -0.167 0.000 2.751 419 D HA -0.164 4.476 4.640 0.000 0.000 0.233 419 D C -0.969 175.300 176.300 -0.052 0.000 1.149 419 D CA 0.909 54.838 54.000 -0.120 0.000 0.682 419 D CB -0.800 39.931 40.800 -0.113 0.000 1.068 419 D HN 0.242 nan 8.370 nan 0.000 0.429 420 L N -0.078 121.133 121.223 -0.021 0.000 2.312 420 L HA 0.380 4.720 4.340 0.000 0.000 0.281 420 L C 0.924 177.810 176.870 0.026 0.000 1.070 420 L CA -0.352 54.490 54.840 0.003 0.000 0.805 420 L CB 1.248 43.318 42.059 0.017 0.000 1.174 420 L HN -0.176 nan 8.230 nan 0.000 0.434 421 K N 3.426 123.826 120.400 -0.000 0.000 2.207 421 K HA 0.444 4.764 4.320 0.000 0.000 0.255 421 K C -2.431 174.145 176.600 -0.041 0.000 0.941 421 K CA -1.903 54.379 56.287 -0.007 0.000 0.825 421 K CB 1.408 33.895 32.500 -0.022 0.000 1.119 421 K HN 0.235 nan 8.250 nan 0.000 0.430 422 P HA -0.082 nan 4.420 nan 0.000 0.259 422 P C -2.214 175.003 177.300 -0.137 0.000 1.163 422 P CA -0.423 62.649 63.100 -0.048 0.000 0.760 422 P CB -0.195 31.490 31.700 -0.025 0.000 0.762 423 P HA 0.032 nan 4.420 nan 0.000 0.273 423 P C -0.479 176.706 177.300 -0.191 0.000 1.250 423 P CA 0.062 63.042 63.100 -0.199 0.000 0.793 423 P CB 0.630 32.260 31.700 -0.117 0.000 1.011 424 H N 0.924 120.026 119.070 0.053 0.000 2.610 424 H HA 0.249 4.805 4.556 0.000 0.000 0.336 424 H C 0.797 176.166 175.328 0.069 0.000 1.087 424 H CA 0.020 56.066 56.048 -0.003 0.000 1.405 424 H CB 0.671 30.361 29.762 -0.119 0.000 1.460 424 H HN 0.262 nan 8.280 nan 0.000 0.538 425 R N 2.520 123.079 120.500 0.097 0.000 2.357 425 R HA 0.229 4.569 4.340 0.000 0.000 0.296 425 R C -0.506 175.814 176.300 0.033 0.000 1.052 425 R CA -0.272 55.887 56.100 0.098 0.000 0.988 425 R CB 0.638 30.958 30.300 0.034 0.000 1.025 425 R HN 0.481 nan 8.270 nan 0.000 0.469 426 Y N 0.418 120.604 120.300 -0.190 0.000 2.679 426 Y HA 0.174 4.724 4.550 0.000 0.000 0.331 426 Y C 1.382 177.334 175.900 0.087 0.000 1.183 426 Y CA -1.268 56.713 58.100 -0.198 0.000 1.290 426 Y CB 0.426 38.699 38.460 -0.311 0.000 1.489 426 Y HN 0.449 nan 8.280 nan 0.000 0.583 427 N N -0.383 118.772 118.700 0.758 0.000 2.453 427 N HA -0.122 4.618 4.740 0.000 0.000 0.183 427 N C -0.083 175.653 175.510 0.376 0.000 1.041 427 N CA 1.035 54.390 53.050 0.509 0.000 0.900 427 N CB -0.362 38.335 38.487 0.350 0.000 0.961 427 N HN 0.656 nan 8.380 nan 0.000 0.443 428 H N -3.011 116.161 119.070 0.171 0.000 2.502 428 H HA 0.571 5.127 4.556 0.000 0.000 0.268 428 H C 1.203 176.504 175.328 -0.045 0.000 1.177 428 H CA -0.388 55.675 56.048 0.025 0.000 0.961 428 H CB -0.073 29.651 29.762 -0.063 0.000 1.737 428 H HN 0.051 nan 8.280 nan 0.000 0.569 429 G N 1.193 109.943 108.800 -0.084 0.000 2.591 429 G HA2 -0.371 3.589 3.960 0.000 0.000 0.298 429 G HA3 -0.371 3.589 3.960 0.000 0.000 0.298 429 G C 0.109 174.880 174.900 -0.215 0.000 1.195 429 G CA 0.126 45.163 45.100 -0.106 0.000 0.989 429 G HN 0.548 nan 8.290 nan 0.000 0.551 430 T N 5.482 119.923 114.554 -0.188 0.000 2.901 430 T HA 0.507 4.857 4.350 0.000 0.000 0.301 430 T C -1.640 172.818 174.700 -0.403 0.000 1.012 430 T CA 0.226 62.203 62.100 -0.205 0.000 1.135 430 T CB 1.505 70.329 68.868 -0.073 0.000 0.936 430 T HN 0.649 nan 8.240 nan 0.000 0.539 431 P HA 0.083 nan 4.420 nan 0.000 0.268 431 P C 0.132 177.315 177.300 -0.196 0.000 1.205 431 P CA -0.259 62.515 63.100 -0.542 0.000 0.771 431 P CB 0.600 32.022 31.700 -0.464 0.000 0.858 432 F N 1.698 121.565 119.950 -0.139 0.000 2.179 432 F HA 0.158 4.685 4.527 0.000 0.000 0.292 432 F C 1.717 177.502 175.800 -0.025 0.000 1.089 432 F CA 0.406 58.372 58.000 -0.057 0.000 1.295 432 F CB -1.180 37.815 39.000 -0.010 0.000 1.041 432 F HN 0.304 nan 8.300 nan 0.000 0.487 433 A N 0.285 123.213 122.820 0.179 0.000 2.431 433 A HA 0.417 4.737 4.320 0.000 0.000 0.318 433 A C -1.134 176.475 177.584 0.043 0.000 1.330 433 A CA -0.413 51.691 52.037 0.112 0.000 0.804 433 A CB -0.207 18.873 19.000 0.133 0.000 1.135 433 A HN 0.049 nan 8.150 nan 0.000 0.483 434 D N 3.324 123.737 120.400 0.021 0.000 2.467 434 D HA 0.199 4.839 4.640 0.000 0.000 0.220 434 D C 1.007 177.326 176.300 0.030 0.000 1.103 434 D CA -0.498 53.507 54.000 0.008 0.000 0.886 434 D CB 0.425 41.204 40.800 -0.035 0.000 1.025 434 D HN 0.297 nan 8.370 nan 0.000 0.514 435 L N 2.903 124.153 121.223 0.046 0.000 2.357 435 L HA -0.195 4.145 4.340 0.000 0.000 0.220 435 L C 2.037 178.927 176.870 0.033 0.000 1.123 435 L CA 1.369 56.235 54.840 0.044 0.000 0.782 435 L CB -0.696 41.393 42.059 0.050 0.000 0.910 435 L HN 0.676 nan 8.230 nan 0.000 0.442 436 Q N 0.179 119.997 119.800 0.030 0.000 2.248 436 Q HA -0.163 4.177 4.340 0.000 0.000 0.208 436 Q C 0.635 176.639 176.000 0.007 0.000 0.984 436 Q CA 0.916 56.729 55.803 0.016 0.000 0.875 436 Q CB 0.121 28.862 28.738 0.005 0.000 0.910 436 Q HN 0.453 nan 8.270 nan 0.000 0.433 437 I N 2.659 123.237 120.570 0.013 0.000 2.307 437 I HA 0.223 4.393 4.170 0.000 0.000 0.289 437 I C -0.421 175.707 176.117 0.018 0.000 1.021 437 I CA -0.602 60.706 61.300 0.014 0.000 1.224 437 I CB 1.215 39.231 38.000 0.027 0.000 1.376 437 I HN -0.083 nan 8.210 nan 0.000 0.470 438 K N 5.697 126.100 120.400 0.006 0.000 2.130 438 K HA 0.315 4.635 4.320 0.000 0.000 0.268 438 K C -0.204 176.399 176.600 0.005 0.000 0.983 438 K CA -0.673 55.618 56.287 0.007 0.000 0.893 438 K CB 1.800 34.297 32.500 -0.004 0.000 1.066 438 K HN 0.541 nan 8.250 nan 0.000 0.450 439 E N 1.949 122.159 120.200 0.016 0.000 2.366 439 E HA -0.045 4.305 4.350 0.000 0.000 0.266 439 E C -0.579 176.022 176.600 0.001 0.000 1.015 439 E CA 0.186 56.598 56.400 0.019 0.000 0.906 439 E CB 0.248 29.969 29.700 0.035 0.000 0.979 439 E HN 0.396 nan 8.360 nan 0.000 0.443 440 R N 3.216 123.710 120.500 -0.010 0.000 3.144 440 R HA -0.173 4.167 4.340 0.000 0.000 0.255 440 R C -0.668 175.606 176.300 -0.043 0.000 0.949 440 R CA 0.363 56.448 56.100 -0.026 0.000 0.649 440 R CB -1.055 29.239 30.300 -0.011 0.000 1.229 440 R HN 0.602 nan 8.270 nan 0.000 0.440 441 M N 2.216 121.777 119.600 -0.065 0.000 2.291 441 M HA 0.409 4.889 4.480 0.000 0.000 0.324 441 M C -1.497 174.736 176.300 -0.113 0.000 1.148 441 M CA -1.573 53.678 55.300 -0.081 0.000 1.104 441 M CB 0.645 33.191 32.600 -0.090 0.000 1.483 441 M HN 0.104 nan 8.290 nan 0.000 0.467 442 P HA 0.330 nan 4.420 nan 0.000 0.288 442 P C -1.469 175.720 177.300 -0.185 0.000 1.267 442 P CA -0.412 62.611 63.100 -0.129 0.000 0.815 442 P CB 0.784 32.428 31.700 -0.093 0.000 0.989 443 R N 2.413 122.773 120.500 -0.234 0.000 2.312 443 R HA 0.390 4.730 4.340 0.000 0.000 0.311 443 R C 0.389 176.555 176.300 -0.223 0.000 1.004 443 R CA -0.706 55.200 56.100 -0.324 0.000 0.902 443 R CB 1.479 31.448 30.300 -0.552 0.000 1.073 443 R HN 0.401 nan 8.270 nan 0.000 0.457 444 R N 1.236 121.606 120.500 -0.216 0.000 2.216 444 R HA 0.074 4.414 4.340 0.000 0.000 0.332 444 R C 0.718 176.956 176.300 -0.103 0.000 1.056 444 R CA -0.063 55.947 56.100 -0.149 0.000 0.901 444 R CB 0.814 31.016 30.300 -0.164 0.000 1.039 444 R HN 0.719 nan 8.270 nan 0.000 0.456 445 T N -2.374 112.146 114.554 -0.056 0.000 3.129 445 T HA -0.064 4.286 4.350 0.000 0.000 0.251 445 T C 0.829 175.536 174.700 0.011 0.000 1.117 445 T CA 0.213 62.306 62.100 -0.012 0.000 1.034 445 T CB -0.011 68.841 68.868 -0.027 0.000 0.968 445 T HN 0.582 nan 8.240 nan 0.000 0.526 446 D N 0.723 121.127 120.400 0.007 0.000 2.342 446 D HA 0.072 4.712 4.640 0.000 0.000 0.221 446 D C 1.135 177.519 176.300 0.139 0.000 1.101 446 D CA -0.122 53.904 54.000 0.044 0.000 0.837 446 D CB 0.133 40.927 40.800 -0.010 0.000 0.938 446 D HN 0.315 nan 8.370 nan 0.000 0.508 447 K N -0.075 120.415 120.400 0.149 0.000 2.387 447 K HA 0.225 4.545 4.320 0.000 0.000 0.203 447 K C -0.045 176.735 176.600 0.300 0.000 1.030 447 K CA -0.228 56.197 56.287 0.230 0.000 1.099 447 K CB 0.656 33.033 32.500 -0.205 0.000 0.863 447 K HN 0.099 nan 8.250 nan 0.000 0.529 448 M N 0.451 120.226 119.600 0.291 0.000 2.413 448 M HA 0.424 4.904 4.480 0.000 0.000 0.287 448 M C -2.215 174.135 176.300 0.084 0.000 1.186 448 M CA -0.534 54.755 55.300 -0.019 0.000 0.927 448 M CB 2.273 34.912 32.600 0.064 0.000 1.715 448 M HN -0.044 nan 8.290 nan 0.000 0.478 449 A N 4.797 127.578 122.820 -0.065 0.000 2.335 449 A HA 0.745 5.065 4.320 0.000 0.000 0.304 449 A C -1.936 175.502 177.584 -0.244 0.000 1.118 449 A CA -0.633 51.393 52.037 -0.019 0.000 0.757 449 A CB 1.323 20.512 19.000 0.315 0.000 1.188 449 A HN 0.696 nan 8.150 nan 0.000 0.460 450 L N 2.776 123.759 121.223 -0.400 0.000 2.313 450 L HA 0.672 5.012 4.340 0.000 0.000 0.283 450 L C -1.598 174.906 176.870 -0.610 0.000 1.013 450 L CA -0.319 54.299 54.840 -0.371 0.000 0.816 450 L CB 0.979 42.916 42.059 -0.202 0.000 1.236 450 L HN 0.656 nan 8.230 nan 0.000 0.419 451 F N 3.300 123.267 119.950 0.027 0.000 2.577 451 F HA 0.711 5.238 4.527 0.000 0.000 0.344 451 F C 0.213 176.122 175.800 0.182 0.000 1.145 451 F CA -0.591 57.460 58.000 0.085 0.000 0.996 451 F CB 1.832 40.828 39.000 -0.007 0.000 1.248 451 F HN 0.497 nan 8.300 nan 0.000 0.447 452 A N 3.973 126.917 122.820 0.207 0.000 2.594 452 A HA 0.718 5.038 4.320 0.000 0.000 0.295 452 A C -2.470 174.782 177.584 -0.553 0.000 1.071 452 A CA -1.466 50.458 52.037 -0.189 0.000 0.685 452 A CB 1.651 20.396 19.000 -0.424 0.000 1.285 452 A HN 0.333 nan 8.150 nan 0.000 0.405 453 P HA 0.013 nan 4.420 nan 0.000 0.261 453 P C -0.709 176.562 177.300 -0.047 0.000 1.288 453 P CA 1.370 64.217 63.100 -0.421 0.000 0.751 453 P CB -0.895 30.690 31.700 -0.191 0.000 1.103 454 Y N -4.403 115.827 120.300 -0.117 0.000 2.662 454 Y HA 0.428 4.978 4.550 0.000 0.000 0.334 454 Y C -0.228 175.471 175.900 -0.334 0.000 1.185 454 Y CA -2.082 55.912 58.100 -0.176 0.000 1.074 454 Y CB 0.398 38.913 38.460 0.093 0.000 1.330 454 Y HN -0.401 nan 8.280 nan 0.000 0.458 455 R N 2.291 122.506 120.500 -0.474 0.000 2.824 455 R HA 0.517 4.857 4.340 0.000 0.000 0.240 455 R C -0.041 176.263 176.300 0.006 0.000 1.548 455 R CA 0.427 56.352 56.100 -0.292 0.000 1.119 455 R CB -0.624 29.462 30.300 -0.357 0.000 1.189 455 R HN 0.845 nan 8.270 nan 0.000 0.596 456 A N 5.214 128.040 122.820 0.010 0.000 2.425 456 A HA 0.186 4.506 4.320 0.000 0.000 0.242 456 A C -1.586 175.999 177.584 0.001 0.000 1.077 456 A CA -1.251 50.839 52.037 0.089 0.000 0.781 456 A CB 0.259 19.202 19.000 -0.095 0.000 1.020 456 A HN 0.531 nan 8.150 nan 0.000 0.494 457 P HA -0.111 nan 4.420 nan 0.000 0.215 457 P C 0.732 177.854 177.300 -0.296 0.000 1.157 457 P CA 1.056 64.103 63.100 -0.088 0.000 0.863 457 P CB -0.058 31.642 31.700 0.001 0.000 0.787 458 L N -2.058 118.927 121.223 -0.397 0.000 2.711 458 L HA 0.101 4.442 4.340 0.000 0.000 0.242 458 L C 2.126 178.794 176.870 -0.338 0.000 1.153 458 L CA 0.971 55.451 54.840 -0.599 0.000 0.898 458 L CB -1.050 40.664 42.059 -0.575 0.000 1.044 458 L HN -0.034 nan 8.230 nan 0.000 0.437 459 M N -0.831 118.650 119.600 -0.197 0.000 2.506 459 M HA -0.073 4.407 4.480 0.000 0.000 0.260 459 M C 2.075 178.398 176.300 0.038 0.000 1.104 459 M CA 0.875 56.161 55.300 -0.023 0.000 1.112 459 M CB 0.196 32.801 32.600 0.007 0.000 1.401 459 M HN 0.030 nan 8.290 nan 0.000 0.473 460 K N -0.236 120.101 120.400 -0.106 0.000 2.097 460 K HA -0.129 4.191 4.320 0.000 0.000 0.206 460 K C 0.526 177.225 176.600 0.166 0.000 1.049 460 K CA 1.322 57.599 56.287 -0.015 0.000 0.933 460 K CB -0.038 32.391 32.500 -0.119 0.000 0.717 460 K HN 0.419 nan 8.250 nan 0.000 0.442 461 W N 0.347 121.609 121.300 -0.063 0.000 3.305 461 W HA 0.476 5.136 4.660 0.000 0.000 0.392 461 W C -0.518 175.939 176.519 -0.102 0.000 1.121 461 W CA -1.017 56.280 57.345 -0.080 0.000 1.909 461 W CB -1.099 28.317 29.460 -0.074 0.000 1.065 461 W HN -0.075 nan 8.180 nan 0.000 0.714 462 A N 0.217 123.049 122.820 0.020 0.000 2.304 462 A HA 0.736 5.056 4.320 0.000 0.000 0.314 462 A C 0.902 178.238 177.584 -0.414 0.000 1.187 462 A CA 0.087 52.056 52.037 -0.113 0.000 0.810 462 A CB 1.236 20.180 19.000 -0.094 0.000 1.183 462 A HN 0.075 nan 8.150 nan 0.000 0.487 463 A N 3.001 125.661 122.820 -0.266 0.000 1.943 463 A HA 0.276 4.596 4.320 0.000 0.000 0.213 463 A C 0.779 178.192 177.584 -0.285 0.000 1.181 463 A CA 0.747 52.597 52.037 -0.310 0.000 0.653 463 A CB -0.067 18.868 19.000 -0.108 0.000 0.833 463 A HN 0.717 nan 8.150 nan 0.000 0.451 464 I N 2.212 122.713 120.570 -0.115 0.000 2.282 464 I HA 0.246 4.416 4.170 0.000 0.000 0.290 464 I C -0.523 175.547 176.117 -0.077 0.000 1.090 464 I CA 0.033 61.336 61.300 0.004 0.000 1.231 464 I CB -1.363 36.703 38.000 0.110 0.000 1.434 464 I HN 0.548 nan 8.210 nan 0.000 0.487 465 H N 3.032 121.997 119.070 -0.174 0.000 3.181 465 H HA 0.645 5.201 4.556 0.000 0.000 0.331 465 H C -1.189 174.049 175.328 -0.150 0.000 0.988 465 H CA -0.748 55.123 56.048 -0.294 0.000 1.449 465 H CB 2.138 31.792 29.762 -0.179 0.000 1.749 465 H HN 0.326 nan 8.280 nan 0.000 0.501 466 E N 3.276 123.432 120.200 -0.073 0.000 2.248 466 E HA 0.249 4.599 4.350 0.000 0.000 0.267 466 E C -0.756 175.978 176.600 0.223 0.000 0.877 466 E CA -1.020 55.477 56.400 0.162 0.000 0.759 466 E CB 3.240 33.197 29.700 0.428 0.000 1.182 466 E HN 0.474 nan 8.360 nan 0.000 0.418 467 V N 5.846 125.806 119.914 0.077 0.000 2.498 467 V HA 0.227 4.347 4.120 0.000 0.000 0.279 467 V C 0.573 176.743 176.094 0.127 0.000 1.048 467 V CA -0.267 62.053 62.300 0.034 0.000 0.967 467 V CB 0.694 32.466 31.823 -0.085 0.000 0.988 467 V HN 0.623 nan 8.190 nan 0.000 0.473 468 H N 5.545 124.623 119.070 0.013 0.000 3.605 468 H HA 0.678 5.234 4.556 0.000 0.000 0.307 468 H C -0.557 174.761 175.328 -0.017 0.000 1.692 468 H CA -1.224 54.822 56.048 -0.003 0.000 1.453 468 H CB 0.960 30.710 29.762 -0.020 0.000 1.511 468 H HN 0.520 nan 8.280 nan 0.000 0.809 469 R N 0.206 120.742 120.500 0.059 0.000 2.604 469 R HA 0.445 4.785 4.340 0.000 0.000 0.287 469 R C -3.093 173.139 176.300 -0.114 0.000 0.970 469 R CA -2.104 53.968 56.100 -0.048 0.000 0.946 469 R CB 0.508 30.804 30.300 -0.007 0.000 1.127 469 R HN 0.275 nan 8.270 nan 0.000 0.473 470 P HA 0.011 nan 4.420 nan 0.000 0.264 470 P C 0.248 177.374 177.300 -0.290 0.000 1.183 470 P CA 1.136 63.928 63.100 -0.514 0.000 0.763 470 P CB 0.293 31.644 31.700 -0.581 0.000 0.807 471 G N 2.554 111.186 108.800 -0.280 0.000 2.372 471 G HA2 -0.276 3.684 3.960 0.000 0.000 0.297 471 G HA3 -0.276 3.684 3.960 0.000 0.000 0.297 471 G C 0.280 175.153 174.900 -0.044 0.000 1.005 471 G CA 0.475 45.511 45.100 -0.108 0.000 1.173 471 G HN 0.697 nan 8.290 nan 0.000 0.511 472 E N -0.819 119.376 120.200 -0.008 0.000 3.083 472 E HA 0.095 4.445 4.350 0.000 0.000 0.168 472 E C 1.575 178.137 176.600 -0.064 0.000 0.934 472 E CA 0.226 56.617 56.400 -0.014 0.000 1.361 472 E CB 0.112 29.819 29.700 0.010 0.000 1.032 472 E HN 0.428 nan 8.360 nan 0.000 0.447 473 E N 0.722 120.883 120.200 -0.065 0.000 2.285 473 E HA -0.162 4.188 4.350 0.000 0.000 0.194 473 E C 1.716 178.216 176.600 -0.168 0.000 0.997 473 E CA 0.449 56.751 56.400 -0.162 0.000 0.845 473 E CB -0.136 29.528 29.700 -0.061 0.000 0.782 473 E HN 0.434 nan 8.360 nan 0.000 0.491 474 R N 1.742 122.177 120.500 -0.108 0.000 2.082 474 R HA -0.118 4.222 4.340 0.000 0.000 0.234 474 R C 2.066 178.288 176.300 -0.129 0.000 1.136 474 R CA 1.405 57.446 56.100 -0.099 0.000 0.935 474 R CB -0.771 29.492 30.300 -0.062 0.000 0.842 474 R HN 0.122 nan 8.270 nan 0.000 0.430 475 E N 0.580 120.704 120.200 -0.126 0.000 2.108 475 E HA -0.246 4.104 4.350 0.000 0.000 0.203 475 E C 1.994 178.482 176.600 -0.186 0.000 1.022 475 E CA 1.891 58.211 56.400 -0.134 0.000 0.823 475 E CB -0.268 29.359 29.700 -0.122 0.000 0.744 475 E HN 0.259 nan 8.360 nan 0.000 0.456 476 I N 0.396 120.805 120.570 -0.269 0.000 2.076 476 I HA -0.281 3.889 4.170 0.000 0.000 0.237 476 I C 2.288 178.228 176.117 -0.296 0.000 1.059 476 I CA 1.271 62.346 61.300 -0.376 0.000 1.317 476 I CB -0.551 37.098 38.000 -0.586 0.000 1.037 476 I HN 0.061 nan 8.210 nan 0.000 0.398 477 L N -0.631 120.445 121.223 -0.245 0.000 2.042 477 L HA -0.242 4.099 4.340 0.000 0.000 0.210 477 L C 2.470 179.243 176.870 -0.162 0.000 1.076 477 L CA 1.455 56.177 54.840 -0.197 0.000 0.749 477 L CB -0.775 41.194 42.059 -0.150 0.000 0.893 477 L HN 0.234 nan 8.230 nan 0.000 0.432 478 L N -0.799 120.342 121.223 -0.136 0.000 1.978 478 L HA -0.354 3.986 4.340 0.000 0.000 0.218 478 L C 2.722 179.529 176.870 -0.104 0.000 1.075 478 L CA 1.732 56.510 54.840 -0.104 0.000 0.767 478 L CB -0.464 41.541 42.059 -0.090 0.000 0.890 478 L HN 0.352 nan 8.230 nan 0.000 0.434 479 A N -0.152 122.596 122.820 -0.120 0.000 1.859 479 A HA -0.268 4.052 4.320 0.000 0.000 0.217 479 A C 2.124 179.649 177.584 -0.099 0.000 1.198 479 A CA 2.070 54.045 52.037 -0.104 0.000 0.629 479 A CB -1.066 17.859 19.000 -0.126 0.000 0.830 479 A HN 0.502 nan 8.150 nan 0.000 0.446 480 L N -0.781 120.359 121.223 -0.137 0.000 2.089 480 L HA -0.264 4.076 4.340 0.000 0.000 0.213 480 L C 2.554 179.352 176.870 -0.121 0.000 1.079 480 L CA 1.352 56.109 54.840 -0.139 0.000 0.758 480 L CB -0.676 41.252 42.059 -0.217 0.000 0.891 480 L HN 0.416 nan 8.230 nan 0.000 0.433 481 L N -0.792 120.363 121.223 -0.112 0.000 2.141 481 L HA -0.062 4.278 4.340 0.000 0.000 0.209 481 L C 1.634 178.482 176.870 -0.036 0.000 1.094 481 L CA 1.088 55.881 54.840 -0.077 0.000 0.763 481 L CB -0.491 41.525 42.059 -0.071 0.000 0.908 481 L HN 0.552 nan 8.230 nan 0.000 0.437 482 G N -1.157 107.620 108.800 -0.037 0.000 2.154 482 G HA2 -0.188 3.772 3.960 0.000 0.000 0.186 482 G HA3 -0.188 3.772 3.960 0.000 0.000 0.186 482 G C 0.315 175.202 174.900 -0.021 0.000 1.000 482 G CA 0.107 45.196 45.100 -0.018 0.000 0.664 482 G HN 0.283 nan 8.290 nan 0.000 0.513 483 D N 0.054 120.435 120.400 -0.032 0.000 2.339 483 D HA 0.195 4.835 4.640 0.000 0.000 0.217 483 D C 1.183 177.464 176.300 -0.031 0.000 1.050 483 D CA 0.830 54.813 54.000 -0.029 0.000 0.856 483 D CB 0.527 41.308 40.800 -0.031 0.000 0.922 483 D HN 0.317 nan 8.370 nan 0.000 0.518 484 K N 0.145 120.523 120.400 -0.037 0.000 2.499 484 K HA 0.302 4.622 4.320 0.000 0.000 0.284 484 K C -0.524 176.053 176.600 -0.038 0.000 1.039 484 K CA -0.538 55.726 56.287 -0.037 0.000 0.873 484 K CB 1.574 34.047 32.500 -0.045 0.000 1.545 484 K HN -0.130 nan 8.250 nan 0.000 0.402 485 E N -0.247 119.931 120.200 -0.037 0.000 2.280 485 E HA 0.685 5.035 4.350 0.000 0.000 0.261 485 E C 0.068 176.639 176.600 -0.049 0.000 1.088 485 E CA -0.899 55.481 56.400 -0.034 0.000 0.915 485 E CB 1.110 30.795 29.700 -0.025 0.000 1.141 485 E HN 0.639 nan 8.360 nan 0.000 0.433 486 G N -0.027 108.746 108.800 -0.046 0.000 2.550 486 G HA2 0.324 4.284 3.960 0.000 0.000 0.293 486 G HA3 0.324 4.284 3.960 0.000 0.000 0.293 486 G C -0.795 174.080 174.900 -0.041 0.000 1.402 486 G CA -0.613 44.448 45.100 -0.065 0.000 0.784 486 G HN 0.520 nan 8.290 nan 0.000 0.482 487 S N -0.533 115.140 115.700 -0.045 0.000 2.566 487 S HA 0.127 4.597 4.470 0.000 0.000 0.280 487 S C 1.153 175.767 174.600 0.024 0.000 1.343 487 S CA 0.945 59.144 58.200 -0.002 0.000 1.036 487 S CB 1.012 64.222 63.200 0.016 0.000 0.866 487 S HN 0.723 nan 8.310 nan 0.000 0.526 488 E N 1.297 121.523 120.200 0.043 0.000 2.068 488 E HA -0.240 4.110 4.350 0.000 0.000 0.207 488 E C 2.101 178.755 176.600 0.090 0.000 1.032 488 E CA 1.892 58.325 56.400 0.056 0.000 0.839 488 E CB -0.335 29.399 29.700 0.057 0.000 0.758 488 E HN 0.640 nan 8.360 nan 0.000 0.457 489 M N 0.554 120.238 119.600 0.140 0.000 2.088 489 M HA -0.179 4.301 4.480 0.000 0.000 0.256 489 M C 2.596 179.064 176.300 0.280 0.000 1.071 489 M CA 1.299 56.741 55.300 0.236 0.000 1.097 489 M CB -1.245 31.561 32.600 0.344 0.000 1.315 489 M HN 0.060 nan 8.290 nan 0.000 0.406 490 V N 0.683 120.701 119.914 0.172 0.000 2.370 490 V HA -0.298 3.822 4.120 0.000 0.000 0.252 490 V C 2.749 178.874 176.094 0.051 0.000 1.068 490 V CA 1.990 64.288 62.300 -0.003 0.000 1.061 490 V CB -1.646 30.057 31.823 -0.199 0.000 0.656 490 V HN 0.537 nan 8.190 nan 0.000 0.455 491 A N -0.257 122.595 122.820 0.055 0.000 1.872 491 A HA -0.182 4.138 4.320 0.000 0.000 0.214 491 A C 2.302 179.928 177.584 0.071 0.000 1.187 491 A CA 1.718 53.783 52.037 0.046 0.000 0.614 491 A CB -0.429 18.590 19.000 0.032 0.000 0.826 491 A HN 0.520 nan 8.150 nan 0.000 0.442 492 K N -0.120 120.334 120.400 0.090 0.000 2.152 492 K HA -0.103 4.217 4.320 0.000 0.000 0.206 492 K C 2.216 178.873 176.600 0.095 0.000 1.048 492 K CA 1.086 57.419 56.287 0.077 0.000 0.933 492 K CB -0.306 32.244 32.500 0.084 0.000 0.721 492 K HN 0.462 nan 8.250 nan 0.000 0.447 493 A N 1.887 124.819 122.820 0.186 0.000 1.873 493 A HA -0.204 4.116 4.320 0.000 0.000 0.215 493 A C 2.069 179.784 177.584 0.218 0.000 1.186 493 A CA 1.749 53.950 52.037 0.274 0.000 0.616 493 A CB -0.338 18.938 19.000 0.460 0.000 0.823 493 A HN 0.151 nan 8.150 nan 0.000 0.442 494 K N 0.482 120.972 120.400 0.150 0.000 2.009 494 K HA -0.191 4.129 4.320 0.000 0.000 0.210 494 K C 1.924 178.604 176.600 0.134 0.000 1.049 494 K CA 2.246 58.613 56.287 0.133 0.000 0.929 494 K CB -0.500 32.038 32.500 0.063 0.000 0.714 494 K HN 0.531 nan 8.250 nan 0.000 0.440 495 E N -0.749 119.493 120.200 0.071 0.000 2.160 495 E HA -0.199 4.151 4.350 0.000 0.000 0.195 495 E C 1.624 178.215 176.600 -0.016 0.000 0.991 495 E CA 1.029 57.447 56.400 0.029 0.000 0.810 495 E CB -0.157 29.549 29.700 0.009 0.000 0.742 495 E HN 0.459 nan 8.360 nan 0.000 0.466 496 A N 1.700 124.492 122.820 -0.048 0.000 1.832 496 A HA -0.177 4.143 4.320 0.000 0.000 0.214 496 A C 2.017 179.475 177.584 -0.209 0.000 1.204 496 A CA 1.079 52.959 52.037 -0.261 0.000 0.606 496 A CB -1.395 17.316 19.000 -0.482 0.000 0.849 496 A HN 0.696 nan 8.150 nan 0.000 0.445 497 W N 1.328 122.544 121.300 -0.139 0.000 2.308 497 W HA -0.205 4.455 4.660 0.000 0.000 0.301 497 W C 1.605 178.133 176.519 0.015 0.000 1.220 497 W CA 2.319 59.692 57.345 0.047 0.000 1.240 497 W CB -0.152 29.393 29.460 0.142 0.000 1.142 497 W HN 0.438 nan 8.180 nan 0.000 0.521 498 E N 0.447 120.734 120.200 0.145 0.000 2.077 498 E HA -0.194 4.156 4.350 0.000 0.000 0.193 498 E C 1.948 178.511 176.600 -0.060 0.000 0.989 498 E CA 1.501 57.937 56.400 0.060 0.000 0.800 498 E CB -0.558 29.195 29.700 0.087 0.000 0.746 498 E HN 0.431 nan 8.360 nan 0.000 0.452 499 K N 0.574 120.919 120.400 -0.091 0.000 2.296 499 K HA 0.104 4.424 4.320 0.000 0.000 0.200 499 K C 0.909 177.429 176.600 -0.133 0.000 1.048 499 K CA 0.371 56.595 56.287 -0.104 0.000 0.966 499 K CB 0.161 32.595 32.500 -0.109 0.000 0.754 499 K HN -0.043 nan 8.250 nan 0.000 0.466 500 A N 1.900 124.604 122.820 -0.193 0.000 2.450 500 A HA 0.071 4.391 4.320 0.000 0.000 0.255 500 A C 0.407 177.874 177.584 -0.195 0.000 1.096 500 A CA -0.274 51.654 52.037 -0.182 0.000 0.778 500 A CB 0.442 19.331 19.000 -0.185 0.000 1.031 500 A HN 0.078 nan 8.150 nan 0.000 0.494 501 K N 1.901 122.231 120.400 -0.118 0.000 1.991 501 K HA 0.032 4.352 4.320 0.000 0.000 0.208 501 K C 0.334 176.866 176.600 -0.113 0.000 1.038 501 K CA 1.230 57.459 56.287 -0.097 0.000 0.943 501 K CB 0.059 32.528 32.500 -0.052 0.000 0.736 501 K HN 0.566 nan 8.250 nan 0.000 0.440 502 N N 1.666 120.320 118.700 -0.077 0.000 2.851 502 N HA 0.263 5.003 4.740 0.000 0.000 0.248 502 N C -2.721 172.754 175.510 -0.059 0.000 1.221 502 N CA -1.165 51.844 53.050 -0.067 0.000 0.847 502 N CB 1.571 40.045 38.487 -0.022 0.000 1.150 502 N HN 0.140 nan 8.380 nan 0.000 0.507 503 P HA 0.419 nan 4.420 nan 0.000 0.286 503 P C -0.647 176.624 177.300 -0.048 0.000 1.292 503 P CA -0.506 62.537 63.100 -0.096 0.000 0.842 503 P CB 2.219 33.777 31.700 -0.237 0.000 1.207 504 V N 0.726 120.656 119.914 0.026 0.000 2.735 504 V HA 0.336 4.456 4.120 0.000 0.000 0.310 504 V C -0.104 176.104 176.094 0.190 0.000 1.061 504 V CA -0.817 61.530 62.300 0.078 0.000 0.913 504 V CB 1.850 33.640 31.823 -0.054 0.000 1.005 504 V HN 0.405 nan 8.190 nan 0.000 0.428 505 L N 5.346 126.709 121.223 0.233 0.000 2.282 505 L HA 0.650 4.991 4.340 0.000 0.000 0.288 505 L C -0.665 176.222 176.870 0.027 0.000 1.033 505 L CA 0.267 55.214 54.840 0.178 0.000 0.807 505 L CB 0.953 43.113 42.059 0.169 0.000 1.209 505 L HN 0.529 nan 8.230 nan 0.000 0.423 506 I N 6.621 127.179 120.570 -0.021 0.000 2.406 506 I HA 0.501 4.671 4.170 0.000 0.000 0.290 506 I C -1.145 174.926 176.117 -0.077 0.000 0.999 506 I CA -0.782 60.476 61.300 -0.070 0.000 1.124 506 I CB 1.552 39.502 38.000 -0.083 0.000 1.289 506 I HN 0.469 nan 8.210 nan 0.000 0.441 507 L N 3.526 124.674 121.223 -0.125 0.000 2.540 507 L HA 0.942 5.282 4.340 0.000 0.000 0.256 507 L C 0.006 176.787 176.870 -0.149 0.000 1.001 507 L CA -0.394 54.372 54.840 -0.124 0.000 0.843 507 L CB 1.408 43.376 42.059 -0.151 0.000 1.436 507 L HN 0.593 nan 8.230 nan 0.000 0.410 508 G N -1.025 107.717 108.800 -0.097 0.000 2.593 508 G HA2 0.398 4.358 3.960 0.000 0.000 0.189 508 G HA3 0.398 4.358 3.960 0.000 0.000 0.189 508 G C 0.670 175.545 174.900 -0.042 0.000 1.560 508 G CA 0.916 45.966 45.100 -0.083 0.000 0.648 508 G HN 0.958 nan 8.290 nan 0.000 1.097 509 A N 1.060 123.877 122.820 -0.006 0.000 1.850 509 A HA 0.429 4.749 4.320 0.000 0.000 0.212 509 A C 2.404 180.000 177.584 0.020 0.000 1.208 509 A CA 1.983 54.041 52.037 0.035 0.000 0.609 509 A CB -1.024 18.048 19.000 0.119 0.000 0.860 509 A HN 0.929 nan 8.150 nan 0.000 0.448 510 G N -0.349 108.464 108.800 0.022 0.000 3.028 510 G HA2 0.177 4.137 3.960 0.000 0.000 0.205 510 G HA3 0.177 4.137 3.960 0.000 0.000 0.205 510 G C 0.803 175.695 174.900 -0.012 0.000 1.182 510 G CA 0.737 45.837 45.100 -0.000 0.000 0.860 510 G HN 0.289 nan 8.290 nan 0.000 0.507 511 V N -0.263 119.637 119.914 -0.022 0.000 3.510 511 V HA 0.067 4.187 4.120 0.000 0.000 0.270 511 V C 1.953 178.049 176.094 0.004 0.000 1.201 511 V CA 0.555 62.856 62.300 0.002 0.000 1.166 511 V CB 0.094 31.895 31.823 -0.036 0.000 0.825 511 V HN 0.325 nan 8.190 nan 0.000 0.484 512 L N -0.134 121.047 121.223 -0.071 0.000 2.640 512 L HA 0.338 4.678 4.340 0.000 0.000 0.230 512 L C 0.953 177.707 176.870 -0.194 0.000 1.123 512 L CA 0.947 55.675 54.840 -0.187 0.000 0.900 512 L CB 0.068 41.880 42.059 -0.413 0.000 1.146 512 L HN 0.250 nan 8.230 nan 0.000 0.484 513 Q N 0.132 119.887 119.800 -0.075 0.000 2.849 513 Q HA 0.112 4.452 4.340 0.000 0.000 0.289 513 Q C 0.725 176.733 176.000 0.014 0.000 1.012 513 Q CA -0.086 55.703 55.803 -0.022 0.000 0.899 513 Q CB 0.783 29.511 28.738 -0.018 0.000 1.235 513 Q HN 0.449 nan 8.270 nan 0.000 0.457 514 D N -0.279 120.139 120.400 0.031 0.000 2.218 514 D HA -0.290 4.350 4.640 0.000 0.000 0.194 514 D C 1.338 177.652 176.300 0.024 0.000 1.007 514 D CA 2.080 56.104 54.000 0.040 0.000 0.879 514 D CB -0.120 40.705 40.800 0.041 0.000 0.918 514 D HN 0.355 nan 8.370 nan 0.000 0.449 515 T N -0.271 114.295 114.554 0.019 0.000 2.680 515 T HA -0.207 4.143 4.350 0.000 0.000 0.268 515 T C 2.050 176.747 174.700 -0.004 0.000 1.033 515 T CA 2.730 64.834 62.100 0.006 0.000 1.152 515 T CB -0.340 68.533 68.868 0.007 0.000 0.859 515 T HN 0.190 nan 8.240 nan 0.000 0.452 516 V N 1.460 121.374 119.914 0.001 0.000 2.341 516 V HA 0.229 4.350 4.120 0.000 0.000 0.240 516 V C 3.144 179.252 176.094 0.023 0.000 1.035 516 V CA 1.229 63.526 62.300 -0.005 0.000 1.033 516 V CB -1.553 30.263 31.823 -0.012 0.000 0.678 516 V HN 0.563 nan 8.190 nan 0.000 0.464 517 A N 0.594 123.454 122.820 0.067 0.000 1.997 517 A HA -0.252 4.068 4.320 0.000 0.000 0.221 517 A C 2.393 180.012 177.584 0.059 0.000 1.172 517 A CA 2.504 54.636 52.037 0.160 0.000 0.645 517 A CB -0.890 18.239 19.000 0.216 0.000 0.813 517 A HN 0.649 nan 8.150 nan 0.000 0.454 518 A N 0.688 123.511 122.820 0.004 0.000 1.892 518 A HA -0.237 4.083 4.320 0.000 0.000 0.218 518 A C 1.968 179.515 177.584 -0.063 0.000 1.188 518 A CA 1.862 53.873 52.037 -0.044 0.000 0.631 518 A CB -0.654 18.328 19.000 -0.030 0.000 0.822 518 A HN 0.820 nan 8.150 nan 0.000 0.447 519 E N -0.584 119.591 120.200 -0.042 0.000 2.299 519 E HA -0.091 4.259 4.350 0.000 0.000 0.193 519 E C 1.984 178.554 176.600 -0.051 0.000 0.998 519 E CA 0.434 56.801 56.400 -0.054 0.000 0.851 519 E CB -0.288 29.378 29.700 -0.057 0.000 0.795 519 E HN 0.592 nan 8.360 nan 0.000 0.492 520 R N 1.172 121.673 120.500 0.002 0.000 2.091 520 R HA -0.126 4.214 4.340 0.000 0.000 0.238 520 R C 2.479 178.802 176.300 0.039 0.000 1.136 520 R CA 1.534 57.686 56.100 0.086 0.000 0.959 520 R CB -0.477 30.030 30.300 0.344 0.000 0.856 520 R HN 0.251 nan 8.270 nan 0.000 0.437 521 A N 1.373 124.113 122.820 -0.134 0.000 1.835 521 A HA -0.216 4.104 4.320 0.000 0.000 0.215 521 A C 2.138 179.650 177.584 -0.120 0.000 1.199 521 A CA 1.519 53.389 52.037 -0.278 0.000 0.615 521 A CB -0.689 18.076 19.000 -0.391 0.000 0.838 521 A HN 0.275 nan 8.150 nan 0.000 0.444 522 R N -0.863 119.578 120.500 -0.098 0.000 2.159 522 R HA -0.219 4.121 4.340 0.000 0.000 0.252 522 R C 2.094 178.375 176.300 -0.031 0.000 1.144 522 R CA 2.003 58.068 56.100 -0.058 0.000 0.961 522 R CB -0.497 29.771 30.300 -0.054 0.000 0.877 522 R HN 0.452 nan 8.270 nan 0.000 0.444 523 L N 1.524 122.714 121.223 -0.056 0.000 1.971 523 L HA -0.215 4.125 4.340 0.000 0.000 0.215 523 L C 2.398 179.295 176.870 0.045 0.000 1.072 523 L CA 2.207 56.998 54.840 -0.082 0.000 0.758 523 L CB -1.455 40.462 42.059 -0.237 0.000 0.889 523 L HN 0.469 nan 8.230 nan 0.000 0.433 524 L N -0.168 121.100 121.223 0.075 0.000 1.990 524 L HA -0.113 4.227 4.340 0.000 0.000 0.213 524 L C 2.620 179.593 176.870 0.171 0.000 1.072 524 L CA 2.868 57.832 54.840 0.206 0.000 0.755 524 L CB -1.681 40.481 42.059 0.172 0.000 0.889 524 L HN 0.182 nan 8.230 nan 0.000 0.432 525 A N 0.070 122.938 122.820 0.080 0.000 1.881 525 A HA -0.336 3.984 4.320 0.000 0.000 0.219 525 A C 2.188 179.822 177.584 0.083 0.000 1.215 525 A CA 2.499 54.569 52.037 0.056 0.000 0.648 525 A CB -1.224 17.783 19.000 0.011 0.000 0.832 525 A HN 0.731 nan 8.150 nan 0.000 0.455 526 E N -1.093 119.163 120.200 0.093 0.000 2.396 526 E HA -0.153 4.197 4.350 0.000 0.000 0.200 526 E C 1.125 177.815 176.600 0.151 0.000 1.023 526 E CA 0.574 57.037 56.400 0.106 0.000 0.857 526 E CB -0.029 29.732 29.700 0.102 0.000 0.775 526 E HN 0.391 nan 8.360 nan 0.000 0.525 531 K N 0.717 121.190 120.400 0.120 0.000 2.106 531 K HA 0.806 5.126 4.320 0.000 0.000 0.246 531 K C -0.404 176.278 176.600 0.136 0.000 0.987 531 K CA -0.761 55.595 56.287 0.115 0.000 0.904 531 K CB 2.080 34.621 32.500 0.069 0.000 1.071 531 K HN 0.373 nan 8.250 nan 0.000 0.453 532 V N 1.904 121.896 119.914 0.130 0.000 2.914 532 V HA 0.380 4.500 4.120 0.000 0.000 0.314 532 V C -0.698 175.404 176.094 0.014 0.000 1.084 532 V CA -1.009 61.348 62.300 0.095 0.000 0.963 532 V CB 1.901 33.826 31.823 0.171 0.000 1.025 532 V HN 0.558 nan 8.190 nan 0.000 0.432 533 L N 3.040 124.233 121.223 -0.050 0.000 2.301 533 L HA 0.656 4.996 4.340 0.000 0.000 0.278 533 L C 0.270 177.054 176.870 -0.142 0.000 1.022 533 L CA -0.511 54.284 54.840 -0.075 0.000 0.854 533 L CB 1.459 43.476 42.059 -0.070 0.000 1.226 533 L HN 0.789 nan 8.230 nan 0.000 0.429 534 A N 5.372 128.097 122.820 -0.158 0.000 2.391 534 A HA 0.488 4.808 4.320 0.000 0.000 0.316 534 A C 0.472 177.986 177.584 -0.117 0.000 1.381 534 A CA -0.446 51.459 52.037 -0.221 0.000 0.998 534 A CB -0.055 18.796 19.000 -0.247 0.000 1.147 534 A HN 0.790 nan 8.150 nan 0.000 0.545 535 M N 3.799 123.334 119.600 -0.108 0.000 3.596 535 M HA 0.066 4.546 4.480 0.000 0.000 0.212 535 M C 0.860 177.131 176.300 -0.048 0.000 1.519 535 M CA -0.067 55.195 55.300 -0.062 0.000 1.670 535 M CB -1.168 31.401 32.600 -0.052 0.000 1.113 535 M HN 0.762 nan 8.290 nan 0.000 0.565 536 T N -0.960 113.575 114.554 -0.033 0.000 2.908 536 T HA 0.065 4.415 4.350 0.000 0.000 0.325 536 T C -1.338 173.357 174.700 -0.007 0.000 1.092 536 T CA -1.047 61.052 62.100 -0.002 0.000 1.125 536 T CB 0.255 69.143 68.868 0.033 0.000 1.016 536 T HN 0.367 nan 8.240 nan 0.000 0.550 537 P HA 0.187 nan 4.420 nan 0.000 0.231 537 P C 0.162 177.429 177.300 -0.055 0.000 1.168 537 P CA 0.291 63.373 63.100 -0.031 0.000 0.779 537 P CB 0.151 31.852 31.700 0.001 0.000 0.844 538 A N 0.261 123.082 122.820 0.001 0.000 2.287 538 A HA 0.654 4.974 4.320 0.000 0.000 0.317 538 A C 0.257 177.889 177.584 0.080 0.000 1.220 538 A CA -0.610 51.454 52.037 0.045 0.000 0.835 538 A CB 0.796 19.832 19.000 0.059 0.000 1.180 538 A HN 0.205 nan 8.150 nan 0.000 0.500 539 A N 2.279 125.222 122.820 0.205 0.000 2.366 539 A HA 0.470 4.790 4.320 0.000 0.000 0.249 539 A C 1.004 178.523 177.584 -0.109 0.000 1.084 539 A CA 0.532 52.580 52.037 0.019 0.000 0.794 539 A CB -0.344 18.642 19.000 -0.024 0.000 1.034 539 A HN 2.021 nan 8.150 nan 0.000 0.491 540 N N -1.107 117.519 118.700 -0.123 0.000 2.732 540 N HA -0.271 4.469 4.740 0.000 0.000 0.250 540 N C 0.942 176.328 175.510 -0.206 0.000 1.097 540 N CA 2.308 55.265 53.050 -0.155 0.000 0.812 540 N CB -1.249 37.119 38.487 -0.199 0.000 1.148 540 N HN 1.035 nan 8.380 nan 0.000 0.572 541 A N 0.334 123.057 122.820 -0.163 0.000 1.865 541 A HA -0.096 4.224 4.320 0.000 0.000 0.217 541 A C 2.012 179.569 177.584 -0.046 0.000 1.191 541 A CA 2.073 54.001 52.037 -0.182 0.000 0.623 541 A CB -0.635 18.410 19.000 0.074 0.000 0.826 541 A HN 0.419 nan 8.150 nan 0.000 0.444 542 R N 0.070 120.593 120.500 0.037 0.000 2.185 542 R HA -0.130 4.210 4.340 0.000 0.000 0.247 542 R C 1.904 178.261 176.300 0.094 0.000 1.159 542 R CA 1.860 58.023 56.100 0.105 0.000 0.988 542 R CB -1.008 29.342 30.300 0.082 0.000 0.871 542 R HN 0.478 nan 8.270 nan 0.000 0.458 543 G N -0.731 108.063 108.800 -0.010 0.000 2.437 543 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 543 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 543 G C 1.345 176.203 174.900 -0.069 0.000 1.174 543 G CA 0.282 45.362 45.100 -0.032 0.000 0.811 543 G HN 0.284 nan 8.290 nan 0.000 0.537 544 L N 0.468 121.559 121.223 -0.220 0.000 2.201 544 L HA -0.010 4.330 4.340 0.000 0.000 0.212 544 L C 2.765 179.707 176.870 0.120 0.000 1.105 544 L CA 0.891 55.568 54.840 -0.272 0.000 0.775 544 L CB -0.394 41.016 42.059 -1.083 0.000 0.913 544 L HN 0.310 nan 8.230 nan 0.000 0.440 545 E N 0.585 120.949 120.200 0.272 0.000 2.110 545 E HA -0.187 4.163 4.350 0.000 0.000 0.193 545 E C 2.211 179.040 176.600 0.382 0.000 0.988 545 E CA 1.152 57.847 56.400 0.491 0.000 0.804 545 E CB -0.114 29.868 29.700 0.470 0.000 0.745 545 E HN 0.485 nan 8.360 nan 0.000 0.458 546 A N 0.643 123.569 122.820 0.177 0.000 2.168 546 A HA -0.078 4.242 4.320 0.000 0.000 0.215 546 A C 1.889 179.281 177.584 -0.319 0.000 1.152 546 A CA 0.858 52.689 52.037 -0.344 0.000 0.716 546 A CB -0.054 18.788 19.000 -0.263 0.000 0.794 546 A HN 0.103 nan 8.150 nan 0.000 0.465 547 M N -2.095 117.464 119.600 -0.067 0.000 2.414 547 M HA 0.197 4.677 4.480 0.000 0.000 0.251 547 M C 1.362 177.684 176.300 0.036 0.000 1.116 547 M CA 0.919 56.198 55.300 -0.034 0.000 1.056 547 M CB -0.590 32.006 32.600 -0.006 0.000 1.388 547 M HN 0.759 nan 8.290 nan 0.000 0.487 548 G N 1.042 109.915 108.800 0.123 0.000 2.149 548 G HA2 -0.170 3.790 3.960 0.000 0.000 0.235 548 G HA3 -0.170 3.790 3.960 0.000 0.000 0.235 548 G C 0.260 175.268 174.900 0.179 0.000 1.018 548 G CA 0.125 45.321 45.100 0.159 0.000 0.728 548 G HN 0.321 nan 8.290 nan 0.000 0.508 549 V N 0.465 120.553 119.914 0.291 0.000 3.102 549 V HA 0.359 4.479 4.120 0.000 0.000 0.371 549 V C 0.611 176.829 176.094 0.206 0.000 1.414 549 V CA 0.415 62.913 62.300 0.330 0.000 1.565 549 V CB -0.604 31.549 31.823 0.549 0.000 1.273 549 V HN 0.336 nan 8.190 nan 0.000 0.478 550 L N 1.925 123.207 121.223 0.098 0.000 2.342 550 L HA 0.513 4.853 4.340 0.000 0.000 0.271 550 L C -0.849 176.041 176.870 0.033 0.000 1.008 550 L CA -1.892 52.939 54.840 -0.015 0.000 0.818 550 L CB 1.392 43.460 42.059 0.015 0.000 1.296 550 L HN -0.054 nan 8.230 nan 0.000 0.427 551 P HA -0.118 nan 4.420 nan 0.000 0.218 551 P C 0.936 178.280 177.300 0.074 0.000 1.148 551 P CA 1.721 64.866 63.100 0.074 0.000 0.822 551 P CB 0.541 32.288 31.700 0.078 0.000 0.784 552 G N 0.374 109.209 108.800 0.058 0.000 3.274 552 G HA2 -0.326 3.634 3.960 0.000 0.000 0.313 552 G HA3 -0.326 3.634 3.960 0.000 0.000 0.313 552 G C 0.841 175.772 174.900 0.052 0.000 1.295 552 G CA 1.009 46.143 45.100 0.056 0.000 1.004 552 G HN 0.688 nan 8.290 nan 0.000 0.614 553 A N 0.402 123.254 122.820 0.053 0.000 3.711 553 A HA 0.737 5.058 4.320 0.000 0.000 0.185 553 A C 0.852 178.471 177.584 0.058 0.000 1.697 553 A CA 1.008 53.074 52.037 0.048 0.000 1.787 553 A CB -0.176 18.847 19.000 0.039 0.000 1.545 553 A HN 0.862 nan 8.150 nan 0.000 0.553 554 K N -0.436 119.998 120.400 0.057 0.000 2.494 554 K HA 0.399 4.719 4.320 0.000 0.000 0.273 554 K C 0.261 176.935 176.600 0.123 0.000 0.970 554 K CA 0.980 57.309 56.287 0.070 0.000 0.963 554 K CB -0.146 32.390 32.500 0.060 0.000 0.913 554 K HN 1.288 nan 8.250 nan 0.000 0.502 555 G N -0.502 108.383 108.800 0.140 0.000 2.353 555 G HA2 0.304 4.264 3.960 0.000 0.000 0.424 555 G HA3 0.304 4.264 3.960 0.000 0.000 0.424 555 G C -1.823 173.096 174.900 0.032 0.000 1.320 555 G CA -0.552 44.685 45.100 0.228 0.000 0.995 555 G HN 0.713 nan 8.290 nan 0.000 0.580 556 A N -0.324 122.395 122.820 -0.167 0.000 2.337 556 A HA 0.961 5.281 4.320 0.000 0.000 0.329 556 A C 0.636 178.241 177.584 0.035 0.000 1.146 556 A CA 0.672 52.647 52.037 -0.104 0.000 0.800 556 A CB 1.222 20.144 19.000 -0.131 0.000 1.220 556 A HN 2.328 nan 8.150 nan 0.000 0.472 557 S N 1.673 117.416 115.700 0.070 0.000 2.719 557 S HA 0.399 4.869 4.470 0.000 0.000 0.285 557 S C 1.287 176.055 174.600 0.280 0.000 1.137 557 S CA -0.108 58.211 58.200 0.197 0.000 1.012 557 S CB 0.236 63.447 63.200 0.018 0.000 1.134 557 S HN 1.203 nan 8.310 nan 0.000 0.544 558 W N 1.826 123.308 121.300 0.302 0.000 2.318 558 W HA -0.185 4.475 4.660 0.000 0.000 0.313 558 W C 0.787 177.262 176.519 -0.073 0.000 1.221 558 W CA 2.011 59.462 57.345 0.177 0.000 1.266 558 W CB -1.128 28.533 29.460 0.336 0.000 1.150 558 W HN 0.830 nan 8.180 nan 0.000 0.496 559 D N 0.275 120.258 120.400 -0.696 0.000 2.349 559 D HA -0.034 4.606 4.640 0.000 0.000 0.214 559 D C -0.008 175.977 176.300 -0.525 0.000 1.063 559 D CA 0.067 53.633 54.000 -0.724 0.000 0.847 559 D CB -0.385 39.664 40.800 -1.252 0.000 0.933 559 D HN 0.342 nan 8.370 nan 0.000 0.513 560 E N 2.248 122.210 120.200 -0.396 0.000 2.035 560 E HA 0.237 4.587 4.350 0.000 0.000 0.271 560 E C -2.401 174.087 176.600 -0.186 0.000 0.953 560 E CA -2.180 54.060 56.400 -0.267 0.000 0.777 560 E CB 1.508 31.084 29.700 -0.206 0.000 1.104 560 E HN 0.073 nan 8.360 nan 0.000 0.408 561 P HA 0.332 nan 4.420 nan 0.000 0.279 561 P C 0.344 177.582 177.300 -0.103 0.000 1.276 561 P CA 0.211 63.226 63.100 -0.141 0.000 0.801 561 P CB 1.802 33.407 31.700 -0.158 0.000 1.127 562 G N -1.472 107.281 108.800 -0.078 0.000 4.172 562 G HA2 0.057 4.017 3.960 0.000 0.000 0.204 562 G HA3 0.057 4.017 3.960 0.000 0.000 0.204 562 G C 0.379 175.261 174.900 -0.030 0.000 1.256 562 G CA 0.358 45.424 45.100 -0.056 0.000 0.886 562 G HN 0.756 nan 8.290 nan 0.000 0.344 563 A N 0.245 123.053 122.820 -0.020 0.000 2.482 563 A HA 0.594 4.914 4.320 0.000 0.000 0.249 563 A C -0.170 177.421 177.584 0.012 0.000 1.114 563 A CA 0.900 52.978 52.037 0.069 0.000 0.797 563 A CB 0.402 19.457 19.000 0.091 0.000 1.067 563 A HN 1.339 nan 8.150 nan 0.000 0.514 564 L N -1.074 120.163 121.223 0.023 0.000 2.381 564 L HA 0.623 4.963 4.340 0.000 0.000 0.268 564 L C -1.522 175.317 176.870 -0.051 0.000 0.997 564 L CA -0.211 54.523 54.840 -0.175 0.000 0.818 564 L CB 1.008 42.856 42.059 -0.353 0.000 1.310 564 L HN 0.724 nan 8.230 nan 0.000 0.416 565 Y N 1.821 122.146 120.300 0.041 0.000 2.861 565 Y HA 0.098 4.648 4.550 0.000 0.000 0.091 565 Y C 0.055 175.956 175.900 0.001 0.000 1.957 565 Y CA 0.748 58.886 58.100 0.063 0.000 1.092 565 Y CB -1.821 36.728 38.460 0.149 0.000 1.742 565 Y HN 0.814 nan 8.280 nan 0.000 0.314 566 A N 1.953 124.759 122.820 -0.025 0.000 2.435 566 A HA 0.878 5.198 4.320 0.000 0.000 0.296 566 A C -1.713 175.766 177.584 -0.174 0.000 1.147 566 A CA -0.933 51.041 52.037 -0.104 0.000 0.775 566 A CB 1.658 20.481 19.000 -0.294 0.000 1.340 566 A HN 0.787 nan 8.150 nan 0.000 0.427 567 Y N 0.726 120.915 120.300 -0.186 0.000 2.328 567 Y HA 0.659 5.209 4.550 0.000 0.000 0.333 567 Y C -2.030 173.862 175.900 -0.014 0.000 0.958 567 Y CA -1.123 56.922 58.100 -0.093 0.000 1.167 567 Y CB 0.861 39.339 38.460 0.030 0.000 1.151 567 Y HN 0.496 nan 8.280 nan 0.000 0.470 568 Y N 4.117 124.001 120.300 -0.694 0.000 2.331 568 Y HA 0.454 5.004 4.550 0.000 0.000 0.338 568 Y C 0.904 176.291 175.900 -0.855 0.000 0.976 568 Y CA -1.361 56.288 58.100 -0.752 0.000 1.137 568 Y CB 2.228 40.297 38.460 -0.650 0.000 1.172 568 Y HN 0.872 nan 8.280 nan 0.000 0.478 569 G N 3.766 112.302 108.800 -0.439 0.000 3.448 569 G HA2 0.366 4.327 3.960 0.000 0.000 0.261 569 G HA3 0.366 4.327 3.960 0.000 0.000 0.261 569 G C -0.562 174.431 174.900 0.155 0.000 1.173 569 G CA 0.064 45.124 45.100 -0.067 0.000 0.835 569 G HN 0.486 nan 8.290 nan 0.000 0.534 570 F N -3.509 116.402 119.950 -0.065 0.000 2.829 570 F HA 0.476 5.003 4.527 0.000 0.000 0.319 570 F C -1.243 174.445 175.800 -0.187 0.000 1.153 570 F CA -1.685 56.259 58.000 -0.093 0.000 0.912 570 F CB 0.848 39.789 39.000 -0.098 0.000 1.292 570 F HN -0.193 nan 8.300 nan 0.000 0.447 571 V N 3.316 123.175 119.914 -0.091 0.000 2.415 571 V HA 0.328 4.448 4.120 0.000 0.000 0.267 571 V C -1.931 174.017 176.094 -0.243 0.000 1.042 571 V CA -0.965 61.151 62.300 -0.307 0.000 1.000 571 V CB 0.148 31.789 31.823 -0.303 0.000 1.015 571 V HN 0.621 nan 8.190 nan 0.000 0.478 572 P HA 0.347 nan 4.420 nan 0.000 0.297 572 P C -2.638 174.450 177.300 -0.353 0.000 1.303 572 P CA -1.576 61.276 63.100 -0.412 0.000 0.753 572 P CB -0.111 30.974 31.700 -1.026 0.000 1.281 573 P HA 0.062 nan 4.420 nan 0.000 0.280 573 P C 0.607 177.649 177.300 -0.430 0.000 1.244 573 P CA 0.037 62.863 63.100 -0.456 0.000 0.784 573 P CB 0.881 32.145 31.700 -0.727 0.000 0.913 574 E N 2.449 122.419 120.200 -0.383 0.000 2.136 574 E HA -0.278 4.072 4.350 0.000 0.000 0.202 574 E C 1.132 177.478 176.600 -0.423 0.000 1.019 574 E CA 1.551 57.687 56.400 -0.441 0.000 0.819 574 E CB -0.029 29.461 29.700 -0.349 0.000 0.739 574 E HN 0.377 nan 8.360 nan 0.000 0.458 575 E N -0.458 119.538 120.200 -0.339 0.000 2.396 575 E HA -0.181 4.169 4.350 0.000 0.000 0.200 575 E C 1.603 178.042 176.600 -0.268 0.000 1.023 575 E CA 0.931 57.165 56.400 -0.276 0.000 0.857 575 E CB -0.082 29.462 29.700 -0.261 0.000 0.775 575 E HN 0.451 nan 8.360 nan 0.000 0.525 576 A N 0.223 122.853 122.820 -0.316 0.000 2.044 576 A HA 0.012 4.332 4.320 0.000 0.000 0.213 576 A C 1.997 179.471 177.584 -0.184 0.000 1.169 576 A CA 0.186 52.067 52.037 -0.260 0.000 0.724 576 A CB 0.104 18.899 19.000 -0.341 0.000 0.840 576 A HN 0.082 nan 8.150 nan 0.000 0.463 577 L N 0.078 121.141 121.223 -0.267 0.000 2.209 577 L HA 0.104 4.444 4.340 0.000 0.000 0.207 577 L C 0.724 177.533 176.870 -0.103 0.000 1.094 577 L CA 1.099 55.828 54.840 -0.185 0.000 0.790 577 L CB -1.235 40.620 42.059 -0.340 0.000 0.932 577 L HN 0.300 nan 8.230 nan 0.000 0.447 578 K N -0.259 120.044 120.400 -0.161 0.000 2.382 578 K HA 0.297 4.617 4.320 0.000 0.000 0.275 578 K C 1.185 177.768 176.600 -0.028 0.000 1.009 578 K CA 0.671 56.950 56.287 -0.014 0.000 0.970 578 K CB 0.431 32.909 32.500 -0.037 0.000 0.934 578 K HN 0.264 nan 8.250 nan 0.000 0.479 579 G N 2.183 110.986 108.800 0.005 0.000 2.336 579 G HA2 -0.300 3.660 3.960 0.000 0.000 0.233 579 G HA3 -0.300 3.660 3.960 0.000 0.000 0.233 579 G C -0.026 174.845 174.900 -0.049 0.000 1.053 579 G CA -0.124 44.961 45.100 -0.025 0.000 0.625 579 G HN 0.531 nan 8.290 nan 0.000 0.511 580 K N 0.752 121.112 120.400 -0.066 0.000 2.295 580 K HA 0.466 4.786 4.320 0.000 0.000 0.270 580 K C 1.544 178.069 176.600 -0.126 0.000 1.011 580 K CA -0.378 55.835 56.287 -0.123 0.000 0.953 580 K CB 0.760 33.175 32.500 -0.140 0.000 0.956 580 K HN 0.302 nan 8.250 nan 0.000 0.477 581 R N 0.854 121.237 120.500 -0.195 0.000 2.051 581 R HA 0.018 4.358 4.340 0.000 0.000 0.225 581 R C 0.369 176.648 176.300 -0.035 0.000 1.155 581 R CA 0.940 56.984 56.100 -0.092 0.000 0.945 581 R CB -0.015 30.180 30.300 -0.177 0.000 0.840 581 R HN 0.413 nan 8.270 nan 0.000 0.432 582 F N 1.388 121.222 119.950 -0.194 0.000 2.482 582 F HA 0.402 4.929 4.527 0.000 0.000 0.331 582 F C -0.874 174.810 175.800 -0.193 0.000 1.115 582 F CA -1.642 56.257 58.000 -0.170 0.000 0.955 582 F CB 1.583 40.790 39.000 0.344 0.000 1.136 582 F HN -0.200 nan 8.300 nan 0.000 0.452 583 V N 5.039 124.401 119.914 -0.920 0.000 2.569 583 V HA 0.720 4.840 4.120 0.000 0.000 0.301 583 V C -1.277 174.464 176.094 -0.589 0.000 1.044 583 V CA -0.960 60.943 62.300 -0.661 0.000 0.874 583 V CB 0.884 32.494 31.823 -0.354 0.000 1.002 583 V HN 0.811 nan 8.190 nan 0.000 0.424 584 V N 2.626 122.256 119.914 -0.474 0.000 2.347 584 V HA 0.689 4.809 4.120 0.000 0.000 0.280 584 V C -0.089 175.974 176.094 -0.052 0.000 1.021 584 V CA -0.602 61.581 62.300 -0.196 0.000 0.847 584 V CB 1.167 32.961 31.823 -0.049 0.000 0.990 584 V HN 0.923 nan 8.190 nan 0.000 0.444 585 M N 4.458 124.060 119.600 0.002 0.000 2.129 585 M HA 0.407 4.887 4.480 0.000 0.000 0.348 585 M C 0.125 176.521 176.300 0.159 0.000 1.116 585 M CA -0.230 55.085 55.300 0.024 0.000 1.022 585 M CB 1.170 33.780 32.600 0.016 0.000 1.599 585 M HN 0.854 nan 8.290 nan 0.000 0.449 586 H N 4.147 123.251 119.070 0.057 0.000 2.595 586 H HA 0.376 4.932 4.556 0.000 0.000 0.264 586 H C -0.491 174.944 175.328 0.178 0.000 1.503 586 H CA -0.472 55.709 56.048 0.223 0.000 1.142 586 H CB 0.360 30.420 29.762 0.497 0.000 1.554 586 H HN 0.622 nan 8.280 nan 0.000 0.501 587 L N 0.704 122.055 121.223 0.214 0.000 2.476 587 L HA 0.012 4.352 4.340 0.000 0.000 0.255 587 L C 1.262 178.258 176.870 0.211 0.000 1.218 587 L CA 0.297 55.236 54.840 0.165 0.000 0.819 587 L CB 0.911 43.066 42.059 0.161 0.000 1.119 587 L HN 0.426 nan 8.230 nan 0.000 0.485 588 S N -1.790 114.070 115.700 0.266 0.000 2.559 588 S HA 0.251 4.721 4.470 0.000 0.000 0.226 588 S C 0.121 175.052 174.600 0.552 0.000 1.000 588 S CA -0.461 57.959 58.200 0.368 0.000 0.948 588 S CB 0.114 63.551 63.200 0.396 0.000 0.870 588 S HN 0.734 nan 8.310 nan 0.000 0.497 589 H N -0.322 118.856 119.070 0.180 0.000 3.038 589 H HA 0.676 5.232 4.556 0.000 0.000 0.289 589 H C -1.548 173.871 175.328 0.151 0.000 1.510 589 H CA -1.056 55.097 56.048 0.175 0.000 1.227 589 H CB 0.724 30.608 29.762 0.204 0.000 1.880 589 H HN 0.129 nan 8.280 nan 0.000 0.594 590 L N 2.239 123.612 121.223 0.250 0.000 2.435 590 L HA 0.235 4.576 4.340 0.000 0.000 0.253 590 L C -0.816 176.170 176.870 0.194 0.000 1.087 590 L CA -0.335 54.616 54.840 0.184 0.000 0.950 590 L CB -0.701 41.428 42.059 0.117 0.000 1.304 590 L HN 0.564 nan 8.230 nan 0.000 0.453 591 H N 4.547 123.686 119.070 0.116 0.000 2.683 591 H HA 0.243 4.799 4.556 0.000 0.000 0.339 591 H C -1.929 173.445 175.328 0.077 0.000 1.081 591 H CA -1.746 54.354 56.048 0.087 0.000 1.432 591 H CB 1.523 31.324 29.762 0.065 0.000 1.462 591 H HN 0.353 nan 8.280 nan 0.000 0.557 592 P HA -0.237 nan 4.420 nan 0.000 0.217 592 P C 2.030 179.526 177.300 0.326 0.000 1.162 592 P CA 0.999 64.262 63.100 0.272 0.000 0.901 592 P CB 0.281 32.085 31.700 0.172 0.000 0.793 593 L N -1.465 120.014 121.223 0.427 0.000 2.137 593 L HA -0.247 4.093 4.340 0.000 0.000 0.213 593 L C 2.187 179.160 176.870 0.173 0.000 1.085 593 L CA 2.356 57.302 54.840 0.176 0.000 0.760 593 L CB -1.606 40.306 42.059 -0.245 0.000 0.893 593 L HN 0.023 nan 8.230 nan 0.000 0.434 594 A N 0.491 123.392 122.820 0.135 0.000 1.930 594 A HA -0.154 4.166 4.320 0.000 0.000 0.215 594 A C 1.843 179.506 177.584 0.131 0.000 1.176 594 A CA 0.971 53.076 52.037 0.112 0.000 0.632 594 A CB -0.338 18.725 19.000 0.105 0.000 0.819 594 A HN 0.630 nan 8.150 nan 0.000 0.445 595 E N -0.806 119.475 120.200 0.134 0.000 2.365 595 E HA 0.110 4.460 4.350 0.000 0.000 0.188 595 E C 0.724 177.362 176.600 0.064 0.000 1.102 595 E CA -0.005 56.451 56.400 0.093 0.000 0.927 595 E CB -0.037 29.713 29.700 0.082 0.000 1.073 595 E HN 0.571 nan 8.360 nan 0.000 0.467 596 R N -1.285 119.260 120.500 0.076 0.000 2.504 596 R HA 0.177 4.517 4.340 0.000 0.000 0.341 596 R C -0.097 176.024 176.300 -0.298 0.000 0.905 596 R CA 0.050 56.101 56.100 -0.082 0.000 1.133 596 R CB 0.555 30.809 30.300 -0.077 0.000 1.704 596 R HN 0.144 nan 8.270 nan 0.000 0.503 597 Y N -0.718 119.610 120.300 0.046 0.000 2.491 597 Y HA 0.431 4.981 4.550 0.000 0.000 0.276 597 Y C 0.514 176.458 175.900 0.073 0.000 1.041 597 Y CA -0.415 57.711 58.100 0.044 0.000 1.191 597 Y CB 1.056 39.509 38.460 -0.012 0.000 1.365 597 Y HN -0.027 nan 8.280 nan 0.000 0.566 598 A N -0.071 122.875 122.820 0.211 0.000 2.316 598 A HA 0.341 4.661 4.320 0.000 0.000 0.284 598 A C 0.222 177.972 177.584 0.277 0.000 1.115 598 A CA -0.142 51.989 52.037 0.158 0.000 0.812 598 A CB 0.278 19.336 19.000 0.095 0.000 1.064 598 A HN 0.571 nan 8.150 nan 0.000 0.489 599 H N 0.261 119.346 119.070 0.025 0.000 2.516 599 H HA 0.276 4.832 4.556 0.000 0.000 0.284 599 H C -0.559 174.846 175.328 0.127 0.000 0.999 599 H CA 0.564 56.687 56.048 0.125 0.000 1.303 599 H CB 0.808 30.762 29.762 0.320 0.000 1.452 599 H HN 0.331 nan 8.280 nan 0.000 0.530 600 V N 1.818 121.832 119.914 0.166 0.000 2.777 600 V HA 0.210 4.330 4.120 0.000 0.000 0.306 600 V C -0.711 175.412 176.094 0.048 0.000 1.112 600 V CA -0.766 61.601 62.300 0.111 0.000 0.917 600 V CB 2.734 34.657 31.823 0.166 0.000 1.018 600 V HN -0.096 nan 8.190 nan 0.000 0.426 601 V N 5.705 125.639 119.914 0.033 0.000 2.628 601 V HA 0.654 4.774 4.120 0.000 0.000 0.306 601 V C -0.752 175.339 176.094 -0.004 0.000 1.045 601 V CA -0.652 61.675 62.300 0.046 0.000 0.905 601 V CB 1.926 33.788 31.823 0.064 0.000 0.997 601 V HN 0.682 nan 8.190 nan 0.000 0.436 602 L N 6.042 127.309 121.223 0.073 0.000 2.446 602 L HA 0.469 4.809 4.340 0.000 0.000 0.268 602 L C -2.529 174.541 176.870 0.333 0.000 0.975 602 L CA -1.485 53.371 54.840 0.026 0.000 0.848 602 L CB 2.397 44.394 42.059 -0.104 0.000 1.225 602 L HN 0.417 nan 8.230 nan 0.000 0.410 603 P HA 0.081 nan 4.420 nan 0.000 0.261 603 P C -0.719 176.877 177.300 0.492 0.000 1.183 603 P CA 0.206 63.518 63.100 0.353 0.000 0.761 603 P CB 1.104 32.973 31.700 0.282 0.000 0.785 604 A N 6.054 129.087 122.820 0.355 0.000 2.350 604 A HA 0.861 5.181 4.320 0.000 0.000 0.318 604 A C -2.507 175.176 177.584 0.164 0.000 1.132 604 A CA -1.874 50.290 52.037 0.212 0.000 0.811 604 A CB 1.053 19.858 19.000 -0.325 0.000 1.313 604 A HN 0.373 nan 8.150 nan 0.000 0.454 605 P HA 0.386 nan 4.420 nan 0.000 0.285 605 P C -0.299 177.060 177.300 0.098 0.000 1.269 605 P CA -0.088 63.075 63.100 0.104 0.000 0.844 605 P CB 1.368 33.119 31.700 0.084 0.000 1.094 606 T N -1.503 113.092 114.554 0.069 0.000 2.899 606 T HA 0.243 4.593 4.350 0.000 0.000 0.284 606 T C 1.312 176.000 174.700 -0.020 0.000 1.004 606 T CA -0.546 61.574 62.100 0.032 0.000 1.043 606 T CB -0.007 68.785 68.868 -0.127 0.000 1.013 606 T HN 0.381 nan 8.240 nan 0.000 0.518 607 F N -0.362 119.598 119.950 0.017 0.000 2.287 607 F HA -0.054 4.473 4.527 0.000 0.000 0.301 607 F C 1.645 177.391 175.800 -0.090 0.000 1.069 607 F CA 0.468 58.420 58.000 -0.080 0.000 1.372 607 F CB -1.416 37.486 39.000 -0.164 0.000 1.056 607 F HN 0.528 nan 8.300 nan 0.000 0.523 608 Y N 1.789 121.812 120.300 -0.463 0.000 2.333 608 Y HA -0.105 4.445 4.550 0.000 0.000 0.290 608 Y C 2.020 177.856 175.900 -0.107 0.000 1.144 608 Y CA 1.393 59.321 58.100 -0.287 0.000 1.228 608 Y CB -0.642 37.529 38.460 -0.481 0.000 0.985 608 Y HN 0.451 nan 8.280 nan 0.000 0.542 609 E N -0.582 119.646 120.200 0.046 0.000 2.624 609 E HA 0.179 4.529 4.350 0.000 0.000 0.210 609 E C -0.250 176.369 176.600 0.032 0.000 0.997 609 E CA -0.165 56.255 56.400 0.034 0.000 0.999 609 E CB 0.212 29.918 29.700 0.011 0.000 1.040 609 E HN 0.184 nan 8.360 nan 0.000 0.469 610 K N 1.376 121.805 120.400 0.049 0.000 2.123 610 K HA 0.421 4.741 4.320 0.000 0.000 0.248 610 K C -0.352 176.247 176.600 -0.002 0.000 0.969 610 K CA -0.813 55.493 56.287 0.032 0.000 0.882 610 K CB 2.168 34.703 32.500 0.058 0.000 1.080 610 K HN -0.058 nan 8.250 nan 0.000 0.441 611 R N 0.424 120.885 120.500 -0.064 0.000 2.445 611 R HA 0.536 4.876 4.340 0.000 0.000 0.308 611 R C -0.681 175.505 176.300 -0.190 0.000 0.961 611 R CA -0.180 55.815 56.100 -0.175 0.000 0.862 611 R CB 1.318 31.422 30.300 -0.325 0.000 1.144 611 R HN 0.892 nan 8.270 nan 0.000 0.447 612 G N 2.003 110.729 108.800 -0.123 0.000 2.356 612 G HA2 0.060 4.020 3.960 0.000 0.000 0.300 612 G HA3 0.060 4.020 3.960 0.000 0.000 0.300 612 G C -1.782 173.213 174.900 0.159 0.000 1.331 612 G CA -0.904 44.187 45.100 -0.015 0.000 0.905 612 G HN 0.691 nan 8.290 nan 0.000 0.587 613 H N -1.421 117.697 119.070 0.081 0.000 2.595 613 H HA 0.784 5.340 4.556 0.000 0.000 0.346 613 H C -0.698 174.627 175.328 -0.004 0.000 1.181 613 H CA -0.764 55.308 56.048 0.039 0.000 1.242 613 H CB 2.189 31.981 29.762 0.050 0.000 1.652 613 H HN 0.380 nan 8.280 nan 0.000 0.548 614 L N 1.065 122.348 121.223 0.100 0.000 2.393 614 L HA 0.342 4.682 4.340 0.000 0.000 0.260 614 L C -1.242 175.618 176.870 -0.016 0.000 1.002 614 L CA -0.735 54.106 54.840 0.002 0.000 0.818 614 L CB 2.500 44.530 42.059 -0.048 0.000 1.369 614 L HN 0.380 nan 8.230 nan 0.000 0.412 615 V N 3.374 123.268 119.914 -0.033 0.000 2.304 615 V HA 0.381 4.501 4.120 0.000 0.000 0.278 615 V C 0.296 176.374 176.094 -0.026 0.000 1.018 615 V CA -0.938 61.350 62.300 -0.020 0.000 0.814 615 V CB 0.934 32.755 31.823 -0.003 0.000 1.021 615 V HN 0.769 nan 8.190 nan 0.000 0.440 616 N N 3.147 121.833 118.700 -0.024 0.000 2.273 616 N HA -0.001 4.740 4.740 0.000 0.000 0.227 616 N C 1.278 176.783 175.510 -0.007 0.000 1.292 616 N CA 0.165 53.201 53.050 -0.024 0.000 0.875 616 N CB 0.990 39.465 38.487 -0.020 0.000 1.105 616 N HN 0.782 nan 8.380 nan 0.000 0.434 617 L N 0.203 121.420 121.223 -0.010 0.000 2.622 617 L HA 0.055 4.395 4.340 0.000 0.000 0.233 617 L C 1.025 177.899 176.870 0.007 0.000 1.156 617 L CA 1.037 55.876 54.840 -0.002 0.000 0.866 617 L CB -0.215 41.835 42.059 -0.015 0.000 0.980 617 L HN 0.629 nan 8.230 nan 0.000 0.448 618 E N -0.646 119.559 120.200 0.008 0.000 2.569 618 E HA 0.280 4.630 4.350 0.000 0.000 0.205 618 E C 1.089 177.705 176.600 0.027 0.000 1.006 618 E CA 0.099 56.508 56.400 0.014 0.000 0.985 618 E CB 0.396 30.099 29.700 0.005 0.000 1.060 618 E HN 0.327 nan 8.360 nan 0.000 0.460 619 G N 2.088 110.909 108.800 0.034 0.000 2.168 619 G HA2 -0.381 3.579 3.960 0.000 0.000 0.257 619 G HA3 -0.381 3.579 3.960 0.000 0.000 0.257 619 G C 0.155 175.072 174.900 0.029 0.000 0.997 619 G CA 0.541 45.670 45.100 0.048 0.000 0.708 619 G HN 0.383 nan 8.290 nan 0.000 0.520 620 R N -0.113 120.393 120.500 0.010 0.000 2.410 620 R HA 0.512 4.852 4.340 0.000 0.000 0.288 620 R C 0.729 177.018 176.300 -0.018 0.000 1.051 620 R CA -0.031 56.067 56.100 -0.004 0.000 1.021 620 R CB 0.927 31.221 30.300 -0.010 0.000 1.032 620 R HN 0.505 nan 8.270 nan 0.000 0.481 621 V N 4.047 123.940 119.914 -0.034 0.000 2.320 621 V HA 0.376 4.496 4.120 0.000 0.000 0.265 621 V C -0.139 175.895 176.094 -0.100 0.000 1.048 621 V CA -0.677 61.584 62.300 -0.064 0.000 0.865 621 V CB 0.452 32.224 31.823 -0.086 0.000 1.043 621 V HN 0.520 nan 8.190 nan 0.000 0.474 622 L N 7.428 128.603 121.223 -0.079 0.000 2.322 622 L HA 0.638 4.978 4.340 0.000 0.000 0.279 622 L C -1.930 174.897 176.870 -0.071 0.000 1.036 622 L CA -1.868 52.928 54.840 -0.074 0.000 0.807 622 L CB 2.461 44.490 42.059 -0.049 0.000 1.226 622 L HN 0.403 nan 8.230 nan 0.000 0.433 623 P HA 0.359 nan 4.420 nan 0.000 0.282 623 P C -1.237 176.113 177.300 0.083 0.000 1.287 623 P CA -0.511 62.615 63.100 0.044 0.000 0.792 623 P CB 1.915 33.633 31.700 0.030 0.000 1.163 624 L N -0.023 121.279 121.223 0.131 0.000 2.528 624 L HA 0.294 4.634 4.340 0.000 0.000 0.267 624 L C -0.431 176.479 176.870 0.066 0.000 0.961 624 L CA -0.095 54.799 54.840 0.089 0.000 0.866 624 L CB 1.944 44.051 42.059 0.080 0.000 1.248 624 L HN 0.338 nan 8.230 nan 0.000 0.404 625 S N 3.959 119.696 115.700 0.062 0.000 2.621 625 S HA 0.686 5.156 4.470 0.000 0.000 0.302 625 S C -2.652 171.970 174.600 0.038 0.000 1.093 625 S CA -1.112 57.108 58.200 0.033 0.000 1.017 625 S CB 2.088 65.311 63.200 0.037 0.000 1.077 625 S HN 0.382 nan 8.310 nan 0.000 0.517 626 P HA 0.501 nan 4.420 nan 0.000 0.290 626 P C -1.664 175.644 177.300 0.014 0.000 1.275 626 P CA -0.523 62.584 63.100 0.012 0.000 0.841 626 P CB 1.258 32.950 31.700 -0.014 0.000 1.042 627 A N 3.978 126.806 122.820 0.014 0.000 2.340 627 A HA 0.606 4.926 4.320 0.000 0.000 0.331 627 A C -2.222 175.349 177.584 -0.020 0.000 1.140 627 A CA -1.962 50.071 52.037 -0.006 0.000 0.801 627 A CB 0.242 19.232 19.000 -0.017 0.000 1.234 627 A HN 0.298 nan 8.150 nan 0.000 0.469 628 P HA 0.087 nan 4.420 nan 0.000 0.277 628 P C -0.551 176.727 177.300 -0.037 0.000 1.617 628 P CA 0.404 63.488 63.100 -0.027 0.000 0.829 628 P CB -0.610 31.076 31.700 -0.025 0.000 1.774 629 I N 0.205 120.748 120.570 -0.044 0.000 2.575 629 I HA 0.066 4.236 4.170 0.000 0.000 0.285 629 I C 1.109 177.205 176.117 -0.035 0.000 1.085 629 I CA -0.522 60.744 61.300 -0.058 0.000 1.403 629 I CB 0.668 38.620 38.000 -0.079 0.000 1.409 629 I HN -0.075 nan 8.210 nan 0.000 0.557 630 E N 6.572 126.751 120.200 -0.034 0.000 2.003 630 E HA 0.095 4.445 4.350 0.000 0.000 0.279 630 E C -0.741 175.855 176.600 -0.007 0.000 1.132 630 E CA -0.449 55.941 56.400 -0.016 0.000 0.888 630 E CB 0.027 29.718 29.700 -0.015 0.000 1.056 630 E HN 0.530 nan 8.360 nan 0.000 0.399 631 N N 1.891 120.597 118.700 0.010 0.000 2.530 631 N HA 0.345 5.085 4.740 0.000 0.000 0.283 631 N C 0.717 176.256 175.510 0.047 0.000 1.238 631 N CA -0.587 52.483 53.050 0.032 0.000 0.971 631 N CB 0.458 38.974 38.487 0.050 0.000 1.195 631 N HN 0.266 nan 8.380 nan 0.000 0.583 632 G N -0.822 108.023 108.800 0.076 0.000 3.340 632 G HA2 -0.048 3.912 3.960 0.000 0.000 0.240 632 G HA3 -0.048 3.912 3.960 0.000 0.000 0.240 632 G C -0.074 174.890 174.900 0.108 0.000 1.327 632 G CA -0.258 44.898 45.100 0.093 0.000 1.170 632 G HN 0.612 nan 8.290 nan 0.000 0.520 633 E N -1.088 119.154 120.200 0.071 0.000 2.282 633 E HA -0.261 4.089 4.350 0.000 0.000 0.228 633 E C 0.835 177.463 176.600 0.047 0.000 1.314 633 E CA 0.944 57.370 56.400 0.042 0.000 0.716 633 E CB -1.503 28.208 29.700 0.019 0.000 1.167 633 E HN 0.634 nan 8.360 nan 0.000 0.372 634 A N 1.378 124.279 122.820 0.135 0.000 2.478 634 A HA 0.342 4.662 4.320 0.000 0.000 0.327 634 A C 0.367 178.044 177.584 0.156 0.000 1.431 634 A CA -0.389 51.791 52.037 0.238 0.000 1.014 634 A CB 0.344 19.655 19.000 0.519 0.000 1.143 634 A HN 0.099 nan 8.150 nan 0.000 0.532 635 E N 0.816 120.914 120.200 -0.169 0.000 3.301 635 E HA -0.010 4.340 4.350 0.000 0.000 0.323 635 E C 1.240 177.902 176.600 0.103 0.000 0.974 635 E CA 1.765 58.062 56.400 -0.172 0.000 1.037 635 E CB 0.342 29.731 29.700 -0.518 0.000 1.140 635 E HN 0.836 nan 8.360 nan 0.000 0.472 636 G N 0.057 108.913 108.800 0.094 0.000 2.508 636 G HA2 0.396 4.356 3.960 0.000 0.000 0.278 636 G HA3 0.396 4.356 3.960 0.000 0.000 0.278 636 G C 0.566 175.687 174.900 0.369 0.000 1.389 636 G CA -0.012 45.222 45.100 0.223 0.000 1.050 636 G HN 0.586 nan 8.290 nan 0.000 0.522 637 A N -1.370 121.703 122.820 0.422 0.000 2.021 637 A HA 0.156 4.476 4.320 0.000 0.000 0.216 637 A C 2.263 179.934 177.584 0.145 0.000 1.163 637 A CA 0.986 53.280 52.037 0.427 0.000 0.676 637 A CB -0.411 18.837 19.000 0.412 0.000 0.818 637 A HN 0.464 nan 8.150 nan 0.000 0.453 638 L N -0.485 120.805 121.223 0.112 0.000 2.042 638 L HA -0.220 4.120 4.340 0.000 0.000 0.210 638 L C 2.508 179.398 176.870 0.033 0.000 1.076 638 L CA 2.436 57.318 54.840 0.069 0.000 0.749 638 L CB -0.519 41.595 42.059 0.091 0.000 0.893 638 L HN 0.451 nan 8.230 nan 0.000 0.432 639 Q N -1.366 118.439 119.800 0.008 0.000 2.016 639 Q HA -0.123 4.217 4.340 0.000 0.000 0.200 639 Q C 2.160 178.136 176.000 -0.039 0.000 0.978 639 Q CA 2.007 57.780 55.803 -0.050 0.000 0.833 639 Q CB -0.319 28.333 28.738 -0.143 0.000 0.895 639 Q HN 0.378 nan 8.270 nan 0.000 0.427 640 V N 0.490 120.392 119.914 -0.020 0.000 2.233 640 V HA -0.305 3.815 4.120 0.000 0.000 0.247 640 V C 2.295 178.320 176.094 -0.117 0.000 1.050 640 V CA 1.865 64.144 62.300 -0.034 0.000 1.010 640 V CB -0.732 30.970 31.823 -0.201 0.000 0.637 640 V HN 0.396 nan 8.190 nan 0.000 0.444 641 L N -0.087 121.022 121.223 -0.190 0.000 1.963 641 L HA -0.292 4.048 4.340 0.000 0.000 0.220 641 L C 2.782 179.597 176.870 -0.091 0.000 1.076 641 L CA 2.096 56.804 54.840 -0.219 0.000 0.772 641 L CB -0.928 41.023 42.059 -0.181 0.000 0.892 641 L HN 0.417 nan 8.230 nan 0.000 0.435 642 A N -0.500 122.293 122.820 -0.045 0.000 1.958 642 A HA -0.287 4.033 4.320 0.000 0.000 0.221 642 A C 2.141 179.724 177.584 -0.002 0.000 1.178 642 A CA 2.267 54.302 52.037 -0.003 0.000 0.642 642 A CB -0.738 18.269 19.000 0.013 0.000 0.816 642 A HN 0.394 nan 8.150 nan 0.000 0.453 643 L N -0.753 120.461 121.223 -0.015 0.000 2.007 643 L HA 0.016 4.356 4.340 0.000 0.000 0.205 643 L C 2.295 179.248 176.870 0.139 0.000 1.073 643 L CA 2.050 56.886 54.840 -0.006 0.000 0.744 643 L CB -0.560 41.496 42.059 -0.004 0.000 0.898 643 L HN 0.454 nan 8.230 nan 0.000 0.435 644 L N -0.528 120.759 121.223 0.107 0.000 2.349 644 L HA -0.124 4.216 4.340 0.000 0.000 0.220 644 L C 2.166 179.100 176.870 0.106 0.000 1.130 644 L CA 1.316 56.236 54.840 0.133 0.000 0.791 644 L CB -0.360 41.726 42.059 0.045 0.000 0.918 644 L HN 0.354 nan 8.230 nan 0.000 0.444 645 A N -0.781 122.082 122.820 0.070 0.000 2.016 645 A HA -0.112 4.209 4.320 0.000 0.000 0.217 645 A C 2.152 179.791 177.584 0.092 0.000 1.162 645 A CA 1.012 53.083 52.037 0.057 0.000 0.662 645 A CB -0.319 18.701 19.000 0.033 0.000 0.812 645 A HN 0.506 nan 8.150 nan 0.000 0.450 646 E N 0.144 120.436 120.200 0.153 0.000 2.031 646 E HA -0.182 4.168 4.350 0.000 0.000 0.193 646 E C 2.404 179.107 176.600 0.172 0.000 0.994 646 E CA 1.230 57.754 56.400 0.208 0.000 0.800 646 E CB -0.448 29.487 29.700 0.391 0.000 0.752 646 E HN 0.540 nan 8.360 nan 0.000 0.447 647 A N 1.243 124.174 122.820 0.186 0.000 1.997 647 A HA -0.193 4.127 4.320 0.000 0.000 0.221 647 A C 2.265 179.854 177.584 0.008 0.000 1.172 647 A CA 1.362 53.422 52.037 0.038 0.000 0.645 647 A CB -0.610 18.408 19.000 0.031 0.000 0.813 647 A HN 0.183 nan 8.150 nan 0.000 0.454 648 L N -3.150 118.094 121.223 0.034 0.000 2.249 648 L HA 0.272 4.612 4.340 0.000 0.000 0.207 648 L C 1.832 178.708 176.870 0.010 0.000 1.090 648 L CA 0.732 55.577 54.840 0.008 0.000 0.802 648 L CB -0.340 41.728 42.059 0.016 0.000 0.947 648 L HN 0.619 nan 8.230 nan 0.000 0.453 649 G N -0.695 108.123 108.800 0.029 0.000 1.849 649 G HA2 -0.079 3.881 3.960 0.000 0.000 0.066 649 G HA3 -0.079 3.881 3.960 0.000 0.000 0.066 649 G C -0.201 174.720 174.900 0.036 0.000 0.986 649 G CA -0.109 45.007 45.100 0.026 0.000 1.081 649 G HN -0.158 nan 8.290 nan 0.000 0.306 650 V N 1.936 121.869 119.914 0.032 0.000 3.747 650 V HA 0.437 4.557 4.120 0.000 0.000 0.299 650 V C 0.898 177.020 176.094 0.046 0.000 1.103 650 V CA 1.325 63.647 62.300 0.036 0.000 1.154 650 V CB 0.799 32.642 31.823 0.034 0.000 1.127 650 V HN 1.029 nan 8.190 nan 0.000 0.482 651 R N -0.586 119.944 120.500 0.049 0.000 2.638 651 R HA 0.460 4.800 4.340 0.000 0.000 0.269 651 R C -2.882 173.464 176.300 0.078 0.000 1.393 651 R CA -1.986 54.148 56.100 0.056 0.000 1.531 651 R CB -1.577 28.750 30.300 0.044 0.000 1.327 651 R HN 0.448 nan 8.270 nan 0.000 0.709 652 P HA -0.098 nan 4.420 nan 0.000 0.267 652 P C -1.864 175.570 177.300 0.222 0.000 1.145 652 P CA -0.351 62.863 63.100 0.190 0.000 0.753 652 P CB 0.399 32.236 31.700 0.228 0.000 0.748 653 P HA -0.143 nan 4.420 nan 0.000 0.233 653 P C -0.387 176.754 177.300 -0.264 0.000 1.157 653 P CA 1.178 64.210 63.100 -0.113 0.000 0.764 653 P CB -0.352 31.207 31.700 -0.236 0.000 0.798 654 F N -0.338 119.600 119.950 -0.020 0.000 2.415 654 F HA 0.413 4.940 4.527 0.000 0.000 0.348 654 F C 1.661 177.447 175.800 -0.024 0.000 1.119 654 F CA -0.443 57.544 58.000 -0.022 0.000 1.069 654 F CB 1.306 40.297 39.000 -0.015 0.000 1.124 654 F HN -0.182 nan 8.300 nan 0.000 0.472 655 R N 1.899 122.466 120.500 0.113 0.000 4.137 655 R HA 0.321 4.661 4.340 0.000 0.000 0.082 655 R C -0.545 175.779 176.300 0.039 0.000 0.716 655 R CA -0.377 55.754 56.100 0.052 0.000 1.733 655 R CB 0.347 30.651 30.300 0.006 0.000 1.564 655 R HN 0.486 nan 8.270 nan 0.000 0.427 656 L N -1.220 120.016 121.223 0.021 0.000 2.304 656 L HA 0.645 4.986 4.340 0.000 0.000 0.268 656 L C 1.184 178.089 176.870 0.059 0.000 1.010 656 L CA -0.923 53.937 54.840 0.034 0.000 0.813 656 L CB 0.975 43.039 42.059 0.009 0.000 1.315 656 L HN -0.016 nan 8.230 nan 0.000 0.445 657 H N 0.377 119.433 119.070 -0.023 0.000 2.256 657 H HA -0.053 4.503 4.556 0.000 0.000 0.301 657 H C 1.844 177.140 175.328 -0.052 0.000 1.062 657 H CA 2.337 58.365 56.048 -0.033 0.000 1.283 657 H CB -0.060 29.679 29.762 -0.038 0.000 1.379 657 H HN 0.647 nan 8.280 nan 0.000 0.493 658 L N 0.351 121.539 121.223 -0.059 0.000 2.123 658 L HA -0.266 4.074 4.340 0.000 0.000 0.217 658 L C 1.770 178.540 176.870 -0.167 0.000 1.081 658 L CA 2.007 56.774 54.840 -0.121 0.000 0.772 658 L CB -0.168 41.877 42.059 -0.024 0.000 0.890 658 L HN 0.479 nan 8.230 nan 0.000 0.437 659 E N -0.671 119.443 120.200 -0.144 0.000 2.250 659 E HA -0.023 4.327 4.350 0.000 0.000 0.192 659 E C 2.054 178.504 176.600 -0.249 0.000 0.986 659 E CA 0.956 57.255 56.400 -0.168 0.000 0.849 659 E CB -0.071 29.546 29.700 -0.140 0.000 0.797 659 E HN 0.588 nan 8.360 nan 0.000 0.482 660 A N 1.218 123.889 122.820 -0.249 0.000 2.119 660 A HA -0.113 4.207 4.320 0.000 0.000 0.217 660 A C 2.032 179.477 177.584 -0.232 0.000 1.153 660 A CA 0.679 52.554 52.037 -0.270 0.000 0.692 660 A CB -0.082 18.909 19.000 -0.014 0.000 0.799 660 A HN 0.025 nan 8.150 nan 0.000 0.458 661 Q N 0.497 120.120 119.800 -0.295 0.000 2.016 661 Q HA -0.131 4.209 4.340 0.000 0.000 0.200 661 Q C 1.764 177.677 176.000 -0.146 0.000 0.978 661 Q CA 1.541 57.194 55.803 -0.249 0.000 0.833 661 Q CB -0.412 28.153 28.738 -0.290 0.000 0.895 661 Q HN 0.690 nan 8.270 nan 0.000 0.427 662 K N 0.567 120.876 120.400 -0.151 0.000 2.218 662 K HA -0.136 4.184 4.320 0.000 0.000 0.205 662 K C 2.005 178.539 176.600 -0.110 0.000 1.046 662 K CA 1.140 57.359 56.287 -0.113 0.000 0.933 662 K CB -0.161 32.268 32.500 -0.119 0.000 0.728 662 K HN 0.145 nan 8.250 nan 0.000 0.454 663 A N 1.276 124.000 122.820 -0.160 0.000 1.930 663 A HA -0.105 4.215 4.320 0.000 0.000 0.217 663 A C 2.082 179.662 177.584 -0.008 0.000 1.175 663 A CA 1.129 53.090 52.037 -0.127 0.000 0.627 663 A CB -0.379 18.448 19.000 -0.288 0.000 0.815 663 A HN 0.145 nan 8.150 nan 0.000 0.443 664 L N -0.961 120.261 121.223 -0.001 0.000 2.095 664 L HA -0.074 4.266 4.340 0.000 0.000 0.204 664 L C 2.567 179.445 176.870 0.013 0.000 1.080 664 L CA 1.531 56.388 54.840 0.028 0.000 0.759 664 L CB -0.412 41.672 42.059 0.041 0.000 0.914 664 L HN 0.428 nan 8.230 nan 0.000 0.439 665 K N 0.738 121.137 120.400 -0.003 0.000 2.281 665 K HA -0.178 4.142 4.320 0.000 0.000 0.203 665 K C 1.994 178.591 176.600 -0.005 0.000 1.046 665 K CA 1.080 57.367 56.287 -0.000 0.000 0.938 665 K CB 0.052 32.546 32.500 -0.011 0.000 0.737 665 K HN 0.270 nan 8.250 nan 0.000 0.458 666 A N 1.635 124.448 122.820 -0.012 0.000 1.845 666 A HA -0.129 4.191 4.320 0.000 0.000 0.215 666 A C 1.830 179.414 177.584 0.000 0.000 1.195 666 A CA 1.274 53.305 52.037 -0.010 0.000 0.616 666 A CB -0.420 18.572 19.000 -0.015 0.000 0.832 666 A HN 0.322 nan 8.150 nan 0.000 0.443 667 R N -0.160 120.342 120.500 0.003 0.000 2.343 667 R HA 0.053 4.393 4.340 0.000 0.000 0.202 667 R C -0.550 175.749 176.300 -0.002 0.000 1.023 667 R CA 0.360 56.459 56.100 -0.002 0.000 1.084 667 R CB -0.360 29.931 30.300 -0.015 0.000 0.956 667 R HN 0.486 nan 8.270 nan 0.000 0.478 668 K N 0.374 120.777 120.400 0.004 0.000 3.974 668 K HA -0.142 4.178 4.320 0.000 0.000 0.280 668 K C -0.876 175.731 176.600 0.011 0.000 0.949 668 K CA 0.270 56.563 56.287 0.010 0.000 0.817 668 K CB -1.095 31.414 32.500 0.014 0.000 1.535 668 K HN 0.028 nan 8.250 nan 0.000 0.444 669 V N 2.051 121.973 119.914 0.013 0.000 2.398 669 V HA 0.319 4.439 4.120 0.000 0.000 0.286 669 V C -1.911 174.196 176.094 0.022 0.000 1.026 669 V CA -2.199 60.111 62.300 0.016 0.000 0.868 669 V CB 1.352 33.187 31.823 0.020 0.000 0.982 669 V HN 0.237 nan 8.190 nan 0.000 0.443 670 P HA 0.037 nan 4.420 nan 0.000 0.264 670 P C 0.068 177.367 177.300 -0.002 0.000 1.179 670 P CA 0.415 63.520 63.100 0.009 0.000 0.763 670 P CB 0.775 32.480 31.700 0.009 0.000 0.806 671 E N 2.474 122.669 120.200 -0.009 0.000 2.081 671 E HA 0.278 4.629 4.350 0.000 0.000 0.213 671 E C 0.128 176.662 176.600 -0.111 0.000 0.921 671 E CA 0.436 56.819 56.400 -0.029 0.000 0.936 671 E CB -0.508 29.195 29.700 0.006 0.000 0.981 671 E HN 0.463 nan 8.360 nan 0.000 0.502 672 A N 0.417 123.185 122.820 -0.087 0.000 2.290 672 A HA 0.486 4.806 4.320 0.000 0.000 0.310 672 A C 0.004 177.547 177.584 -0.068 0.000 1.202 672 A CA -0.087 51.883 52.037 -0.111 0.000 0.837 672 A CB 0.539 19.495 19.000 -0.073 0.000 1.139 672 A HN 0.502 nan 8.150 nan 0.000 0.509 673 M N 0.156 119.712 119.600 -0.074 0.000 2.891 673 M HA -0.184 4.296 4.480 0.000 0.000 0.178 673 M C 0.974 177.256 176.300 -0.030 0.000 0.649 673 M CA 1.335 56.608 55.300 -0.043 0.000 0.675 673 M CB -2.317 30.267 32.600 -0.028 0.000 2.440 673 M HN 1.114 nan 8.290 nan 0.000 0.288 674 G N 0.623 109.404 108.800 -0.032 0.000 2.664 674 G HA2 0.294 4.254 3.960 0.000 0.000 0.242 674 G HA3 0.294 4.254 3.960 0.000 0.000 0.242 674 G C 0.050 174.947 174.900 -0.006 0.000 1.225 674 G CA -0.275 44.816 45.100 -0.014 0.000 0.849 674 G HN 0.413 nan 8.290 nan 0.000 0.581 675 R N 0.775 121.280 120.500 0.009 0.000 2.343 675 R HA 0.341 4.681 4.340 0.000 0.000 0.320 675 R C -0.700 175.621 176.300 0.035 0.000 0.956 675 R CA -0.801 55.312 56.100 0.021 0.000 0.836 675 R CB 1.003 31.317 30.300 0.023 0.000 1.151 675 R HN 0.373 nan 8.270 nan 0.000 0.450 676 L N 4.746 125.998 121.223 0.047 0.000 2.264 676 L HA 0.358 4.698 4.340 0.000 0.000 0.289 676 L C -0.691 176.246 176.870 0.111 0.000 1.044 676 L CA 0.066 54.948 54.840 0.070 0.000 0.807 676 L CB 1.372 43.468 42.059 0.063 0.000 1.192 676 L HN 0.755 nan 8.230 nan 0.000 0.425 677 S N 5.186 120.958 115.700 0.119 0.000 2.438 677 S HA 0.616 5.086 4.470 0.000 0.000 0.293 677 S C -0.738 174.005 174.600 0.238 0.000 1.141 677 S CA -0.593 57.691 58.200 0.139 0.000 1.080 677 S CB 1.034 64.290 63.200 0.094 0.000 0.978 677 S HN 0.549 nan 8.310 nan 0.000 0.479 678 F N 2.837 122.813 119.950 0.045 0.000 3.240 678 F HA 0.428 4.955 4.527 0.000 0.000 0.370 678 F C -0.669 175.164 175.800 0.054 0.000 1.271 678 F CA -0.642 57.387 58.000 0.048 0.000 1.224 678 F CB 0.896 39.927 39.000 0.052 0.000 1.624 678 F HN 0.669 nan 8.300 nan 0.000 0.658 679 R N 3.925 124.176 120.500 -0.414 0.000 2.583 679 R HA 0.805 5.145 4.340 0.000 0.000 0.268 679 R C -1.442 174.442 176.300 -0.693 0.000 1.101 679 R CA -1.029 54.808 56.100 -0.438 0.000 1.180 679 R CB 1.435 31.617 30.300 -0.197 0.000 1.128 679 R HN 0.761 nan 8.270 nan 0.000 0.568 680 L N 0.871 121.844 121.223 -0.418 0.000 2.676 680 L HA 0.259 4.599 4.340 0.000 0.000 0.262 680 L C -1.431 175.343 176.870 -0.161 0.000 0.932 680 L CA -0.385 54.272 54.840 -0.305 0.000 0.932 680 L CB 1.565 43.436 42.059 -0.313 0.000 1.355 680 L HN 0.563 nan 8.230 nan 0.000 0.421 681 K N 4.955 125.291 120.400 -0.108 0.000 2.533 681 K HA 0.418 4.738 4.320 0.000 0.000 0.207 681 K C -1.055 175.517 176.600 -0.047 0.000 1.052 681 K CA -0.203 56.033 56.287 -0.084 0.000 1.030 681 K CB 0.691 33.143 32.500 -0.079 0.000 1.522 681 K HN 0.650 nan 8.250 nan 0.000 0.543 682 E N 4.295 124.476 120.200 -0.032 0.000 2.354 682 E HA 0.289 4.639 4.350 0.000 0.000 0.283 682 E C -1.818 174.786 176.600 0.006 0.000 0.938 682 E CA -0.832 55.565 56.400 -0.006 0.000 0.777 682 E CB 1.199 30.907 29.700 0.014 0.000 1.222 682 E HN 0.470 nan 8.360 nan 0.000 0.423 683 L N 0.846 122.076 121.223 0.011 0.000 2.445 683 L HA 0.719 5.059 4.340 0.000 0.000 0.262 683 L C -0.915 175.974 176.870 0.030 0.000 0.974 683 L CA -1.118 53.737 54.840 0.024 0.000 0.822 683 L CB 2.110 44.179 42.059 0.017 0.000 1.339 683 L HN 0.449 nan 8.230 nan 0.000 0.409 684 R N 1.708 122.234 120.500 0.042 0.000 2.423 684 R HA 0.423 4.763 4.340 0.000 0.000 0.293 684 R C -2.756 173.576 176.300 0.053 0.000 1.196 684 R CA -1.562 54.564 56.100 0.043 0.000 1.262 684 R CB 0.685 31.012 30.300 0.044 0.000 1.116 684 R HN 0.459 nan 8.270 nan 0.000 0.566 685 P HA 0.082 nan 4.420 nan 0.000 0.271 685 P C -0.657 176.680 177.300 0.062 0.000 1.220 685 P CA -0.239 62.896 63.100 0.059 0.000 0.768 685 P CB 0.920 32.645 31.700 0.042 0.000 0.848 686 K N 1.508 121.966 120.400 0.097 0.000 3.054 686 K HA 0.108 4.428 4.320 0.000 0.000 0.203 686 K C 0.047 176.713 176.600 0.109 0.000 1.126 686 K CA -0.372 55.959 56.287 0.073 0.000 1.023 686 K CB 0.582 33.110 32.500 0.046 0.000 0.722 686 K HN 0.476 nan 8.250 nan 0.000 0.441 687 E N 2.250 122.531 120.200 0.134 0.000 2.975 687 E HA -0.169 4.181 4.350 0.000 0.000 0.269 687 E C -0.587 176.082 176.600 0.114 0.000 0.905 687 E CA 0.905 57.405 56.400 0.166 0.000 0.967 687 E CB 0.500 30.258 29.700 0.098 0.000 0.925 687 E HN 0.173 nan 8.360 nan 0.000 0.507 688 R N 3.318 123.927 120.500 0.181 0.000 2.832 688 R HA 0.489 4.829 4.340 0.000 0.000 0.271 688 R C -0.653 175.702 176.300 0.092 0.000 0.996 688 R CA -0.888 55.235 56.100 0.038 0.000 0.977 688 R CB 1.659 31.840 30.300 -0.198 0.000 1.168 688 R HN 0.380 nan 8.270 nan 0.000 0.482 689 K N -0.058 120.369 120.400 0.045 0.000 2.385 689 K HA 0.768 5.088 4.320 0.000 0.000 0.248 689 K C -0.603 176.035 176.600 0.063 0.000 0.955 689 K CA -0.899 55.423 56.287 0.058 0.000 0.816 689 K CB 2.501 35.022 32.500 0.035 0.000 1.250 689 K HN 0.776 nan 8.250 nan 0.000 0.434 690 G N -0.557 108.295 108.800 0.088 0.000 2.328 690 G HA2 0.418 4.378 3.960 0.000 0.000 0.295 690 G HA3 0.418 4.378 3.960 0.000 0.000 0.295 690 G C -0.999 173.995 174.900 0.157 0.000 1.413 690 G CA -0.272 44.897 45.100 0.115 0.000 0.817 690 G HN 0.487 nan 8.290 nan 0.000 0.546 691 A N -0.860 122.103 122.820 0.238 0.000 2.348 691 A HA 0.709 5.029 4.320 0.000 0.000 0.224 691 A C -0.076 177.722 177.584 0.357 0.000 1.227 691 A CA 0.386 52.583 52.037 0.266 0.000 0.885 691 A CB -0.049 19.117 19.000 0.277 0.000 0.933 691 A HN 0.452 nan 8.150 nan 0.000 0.506 692 F N -1.526 118.477 119.950 0.088 0.000 2.492 692 F HA 0.566 5.094 4.527 0.000 0.000 0.327 692 F C -0.580 175.339 175.800 0.198 0.000 1.079 692 F CA -1.580 56.488 58.000 0.112 0.000 0.967 692 F CB 1.431 40.481 39.000 0.084 0.000 1.169 692 F HN 0.129 nan 8.300 nan 0.000 0.472 693 Y N 3.893 124.266 120.300 0.122 0.000 2.332 693 Y HA 0.456 5.006 4.550 0.000 0.000 0.326 693 Y C -0.998 174.930 175.900 0.047 0.000 0.978 693 Y CA -1.687 56.463 58.100 0.084 0.000 1.205 693 Y CB 0.885 39.370 38.460 0.041 0.000 1.131 693 Y HN 0.441 nan 8.280 nan 0.000 0.462 694 L N 7.378 128.501 121.223 -0.166 0.000 2.505 694 L HA 0.208 4.548 4.340 0.000 0.000 0.279 694 L C 0.934 177.416 176.870 -0.646 0.000 1.211 694 L CA 0.093 54.749 54.840 -0.306 0.000 1.059 694 L CB -0.261 41.671 42.059 -0.212 0.000 1.340 694 L HN 0.525 nan 8.230 nan 0.000 0.447 695 R N 6.151 126.273 120.500 -0.631 0.000 2.480 695 R HA 0.089 4.429 4.340 0.000 0.000 0.303 695 R C -2.138 173.950 176.300 -0.353 0.000 0.985 695 R CA -1.089 54.674 56.100 -0.561 0.000 1.051 695 R CB 0.476 30.586 30.300 -0.317 0.000 0.935 695 R HN 0.238 nan 8.270 nan 0.000 0.410 696 P HA 0.009 nan 4.420 nan 0.000 0.269 696 P C -0.791 176.450 177.300 -0.099 0.000 1.209 696 P CA 0.102 63.096 63.100 -0.177 0.000 0.776 696 P CB 1.170 32.815 31.700 -0.092 0.000 0.876 697 T N -1.229 113.262 114.554 -0.106 0.000 2.812 697 T HA 0.397 4.747 4.350 0.000 0.000 0.294 697 T C 0.920 175.593 174.700 -0.045 0.000 1.159 697 T CA -0.833 61.239 62.100 -0.045 0.000 1.008 697 T CB 1.471 70.325 68.868 -0.023 0.000 1.289 697 T HN 0.338 nan 8.240 nan 0.000 0.514 698 M N -0.453 119.126 119.600 -0.036 0.000 2.102 698 M HA 0.298 4.778 4.480 0.000 0.000 0.259 698 M C -0.260 175.949 176.300 -0.152 0.000 1.083 698 M CA 0.509 55.719 55.300 -0.150 0.000 1.141 698 M CB 0.106 32.532 32.600 -0.289 0.000 1.318 698 M HN 0.656 nan 8.290 nan 0.000 0.421 699 W N 2.613 123.884 121.300 -0.048 0.000 2.170 699 W HA 0.132 4.792 4.660 0.000 0.000 0.342 699 W C -0.082 176.386 176.519 -0.085 0.000 1.294 699 W CA -0.294 57.020 57.345 -0.051 0.000 1.246 699 W CB 0.207 29.641 29.460 -0.043 0.000 1.156 699 W HN -0.026 nan 8.180 nan 0.000 0.572 700 K N 1.515 122.011 120.400 0.160 0.000 2.207 700 K HA 0.464 4.784 4.320 0.000 0.000 0.255 700 K C 0.772 177.365 176.600 -0.011 0.000 0.941 700 K CA -0.342 55.977 56.287 0.053 0.000 0.825 700 K CB 1.384 33.938 32.500 0.089 0.000 1.119 700 K HN 0.393 nan 8.250 nan 0.000 0.430 701 A N 2.023 124.869 122.820 0.043 0.000 1.917 701 A HA -0.206 4.114 4.320 0.000 0.000 0.219 701 A C 1.217 178.756 177.584 -0.074 0.000 1.182 701 A CA 1.881 53.919 52.037 0.001 0.000 0.633 701 A CB -1.020 18.012 19.000 0.053 0.000 0.819 701 A HN 0.855 nan 8.150 nan 0.000 0.448 702 H N -0.545 118.385 119.070 -0.234 0.000 2.689 702 H HA 0.199 4.755 4.556 0.000 0.000 0.290 702 H C 0.783 175.783 175.328 -0.547 0.000 1.089 702 H CA 0.973 56.794 56.048 -0.379 0.000 1.194 702 H CB -0.559 28.872 29.762 -0.553 0.000 1.289 702 H HN 0.685 nan 8.280 nan 0.000 0.616 703 Q N 0.001 119.453 119.800 -0.580 0.000 2.245 703 Q HA 0.313 4.653 4.340 0.000 0.000 0.236 703 Q C 0.854 176.755 176.000 -0.164 0.000 0.842 703 Q CA 0.189 55.745 55.803 -0.412 0.000 0.945 703 Q CB 0.867 29.491 28.738 -0.191 0.000 1.122 703 Q HN 0.485 nan 8.270 nan 0.000 0.506 704 A N 1.818 124.530 122.820 -0.180 0.000 3.152 704 A HA 0.276 4.596 4.320 0.000 0.000 0.280 704 A C -0.147 177.369 177.584 -0.112 0.000 2.009 704 A CA 0.415 52.346 52.037 -0.176 0.000 1.494 704 A CB -0.842 18.068 19.000 -0.150 0.000 0.941 704 A HN 0.065 nan 8.150 nan 0.000 0.601 705 V N -0.243 119.611 119.914 -0.100 0.000 3.147 705 V HA 0.796 4.916 4.120 0.000 0.000 0.306 705 V C 1.267 177.304 176.094 -0.095 0.000 1.209 705 V CA -0.263 62.011 62.300 -0.044 0.000 1.023 705 V CB 0.867 32.735 31.823 0.075 0.000 1.059 705 V HN 1.492 nan 8.190 nan 0.000 0.435 706 G N 2.233 110.987 108.800 -0.076 0.000 2.692 706 G HA2 -0.304 3.656 3.960 0.000 0.000 0.339 706 G HA3 -0.304 3.656 3.960 0.000 0.000 0.339 706 G C 0.765 175.550 174.900 -0.192 0.000 1.226 706 G CA 0.973 46.015 45.100 -0.097 0.000 0.979 706 G HN 0.692 nan 8.290 nan 0.000 0.549 707 K N 1.283 121.531 120.400 -0.253 0.000 2.365 707 K HA 0.403 4.723 4.320 0.000 0.000 0.197 707 K C 2.593 178.665 176.600 -0.880 0.000 1.042 707 K CA 1.370 57.384 56.287 -0.455 0.000 0.987 707 K CB -0.413 31.891 32.500 -0.327 0.000 0.779 707 K HN 0.712 nan 8.250 nan 0.000 0.484 708 A N 1.015 123.406 122.820 -0.715 0.000 2.208 708 A HA -0.059 4.261 4.320 0.000 0.000 0.209 708 A C 2.028 179.252 177.584 -0.601 0.000 1.161 708 A CA 0.365 51.912 52.037 -0.817 0.000 0.782 708 A CB -0.213 18.524 19.000 -0.439 0.000 0.816 708 A HN 0.282 nan 8.150 nan 0.000 0.477 709 Q N -0.249 119.299 119.800 -0.420 0.000 2.065 709 Q HA -0.252 4.088 4.340 0.000 0.000 0.213 709 Q C 1.502 177.311 176.000 -0.318 0.000 1.012 709 Q CA 2.063 57.687 55.803 -0.298 0.000 0.876 709 Q CB -0.107 28.496 28.738 -0.226 0.000 0.954 709 Q HN 0.580 nan 8.270 nan 0.000 0.413 710 E N -1.164 118.828 120.200 -0.347 0.000 2.435 710 E HA 0.008 4.358 4.350 0.000 0.000 0.195 710 E C 0.972 177.354 176.600 -0.364 0.000 1.029 710 E CA 0.559 56.781 56.400 -0.297 0.000 0.865 710 E CB 0.337 29.898 29.700 -0.231 0.000 0.833 710 E HN 0.320 nan 8.360 nan 0.000 0.510 711 A N 0.039 122.516 122.820 -0.571 0.000 2.307 711 A HA 0.391 4.711 4.320 0.000 0.000 0.218 711 A C 1.668 178.722 177.584 -0.883 0.000 1.228 711 A CA 0.852 52.449 52.037 -0.734 0.000 0.857 711 A CB 0.132 18.529 19.000 -1.005 0.000 0.897 711 A HN 0.167 nan 8.150 nan 0.000 0.495 712 A N -0.470 122.011 122.820 -0.565 0.000 1.964 712 A HA 0.318 4.638 4.320 0.000 0.000 0.198 712 A C 1.096 178.565 177.584 -0.192 0.000 1.599 712 A CA -0.285 51.535 52.037 -0.362 0.000 0.968 712 A CB 0.003 18.817 19.000 -0.310 0.000 1.029 712 A HN 0.362 nan 8.150 nan 0.000 0.508 713 R N 0.947 121.339 120.500 -0.180 0.000 2.583 713 R HA 0.318 4.658 4.340 0.000 0.000 0.274 713 R C 0.762 177.006 176.300 -0.093 0.000 0.998 713 R CA 0.242 56.272 56.100 -0.115 0.000 1.081 713 R CB 0.237 30.472 30.300 -0.109 0.000 0.940 713 R HN 0.519 nan 8.270 nan 0.000 0.413 718 A N 1.312 123.517 122.820 -1.026 0.000 3.426 718 A HA 0.423 4.743 4.320 0.000 0.000 0.222 718 A C -0.219 177.081 177.584 -0.474 0.000 1.090 718 A CA -0.094 51.547 52.037 -0.661 0.000 1.026 718 A CB -0.604 18.211 19.000 -0.309 0.000 1.342 718 A HN 0.315 nan 8.150 nan 0.000 0.695 719 H N -0.171 118.819 119.070 -0.134 0.000 2.162 719 H HA 0.273 4.829 4.556 0.000 0.000 0.228 719 H C -1.804 173.486 175.328 -0.064 0.000 0.941 719 H CA 0.407 56.417 56.048 -0.064 0.000 1.213 719 H CB -1.430 28.331 29.762 -0.001 0.000 1.318 719 H HN 0.506 nan 8.280 nan 0.000 0.496 720 P HA 0.198 nan 4.420 nan 0.000 0.281 720 P C -0.030 177.236 177.300 -0.056 0.000 1.249 720 P CA -0.253 62.848 63.100 0.002 0.000 0.810 720 P CB 1.614 33.325 31.700 0.018 0.000 1.008 721 E N 0.829 121.001 120.200 -0.046 0.000 2.194 721 E HA 0.388 4.738 4.350 0.000 0.000 0.284 721 E C -0.536 176.027 176.600 -0.062 0.000 1.035 721 E CA 0.208 56.572 56.400 -0.061 0.000 0.836 721 E CB 0.529 30.204 29.700 -0.041 0.000 1.070 721 E HN 0.380 nan 8.360 nan 0.000 0.401 722 T N 1.208 115.712 114.554 -0.083 0.000 4.350 722 T HA 0.205 4.555 4.350 0.000 0.000 0.164 722 T C -0.065 174.575 174.700 -0.100 0.000 0.638 722 T CA -0.244 61.810 62.100 -0.078 0.000 1.149 722 T CB -0.037 68.777 68.868 -0.089 0.000 1.068 722 T HN 0.555 nan 8.240 nan 0.000 0.531 723 A N 2.285 125.052 122.820 -0.089 0.000 2.667 723 A HA 0.015 4.335 4.320 0.000 0.000 0.225 723 A C 1.977 179.504 177.584 -0.095 0.000 1.190 723 A CA 0.676 52.655 52.037 -0.096 0.000 0.961 723 A CB 0.395 19.359 19.000 -0.061 0.000 1.011 723 A HN 0.699 nan 8.150 nan 0.000 0.503 724 R N 1.310 121.751 120.500 -0.098 0.000 2.075 724 R HA -0.029 4.311 4.340 0.000 0.000 0.232 724 R C 1.229 177.523 176.300 -0.010 0.000 1.126 724 R CA 1.416 57.481 56.100 -0.059 0.000 0.963 724 R CB -1.742 28.533 30.300 -0.042 0.000 0.858 724 R HN 1.128 nan 8.270 nan 0.000 0.435 725 A N 2.633 125.446 122.820 -0.011 0.000 2.898 725 A HA 0.041 4.361 4.320 0.000 0.000 0.288 725 A C 0.080 177.668 177.584 0.007 0.000 1.771 725 A CA 0.206 52.245 52.037 0.003 0.000 1.383 725 A CB -0.381 18.619 19.000 -0.000 0.000 1.028 725 A HN 0.384 nan 8.150 nan 0.000 0.595 726 E N 0.843 121.052 120.200 0.016 0.000 3.085 726 E HA 0.337 4.688 4.350 0.000 0.000 0.179 726 E C 0.244 176.864 176.600 0.034 0.000 0.951 726 E CA 0.467 56.882 56.400 0.024 0.000 1.326 726 E CB 0.504 30.217 29.700 0.022 0.000 1.043 726 E HN 1.376 nan 8.360 nan 0.000 0.457 727 A N 0.885 123.724 122.820 0.032 0.000 2.996 727 A HA -0.195 4.125 4.320 0.000 0.000 0.257 727 A C -0.054 177.556 177.584 0.042 0.000 1.394 727 A CA 0.709 52.766 52.037 0.034 0.000 0.820 727 A CB -2.179 16.840 19.000 0.032 0.000 1.054 727 A HN 0.274 nan 8.150 nan 0.000 0.619 728 L N -0.083 121.171 121.223 0.052 0.000 2.356 728 L HA 0.415 4.755 4.340 0.000 0.000 0.264 728 L C -1.966 174.957 176.870 0.088 0.000 1.029 728 L CA -1.918 52.964 54.840 0.070 0.000 0.897 728 L CB 1.103 43.211 42.059 0.082 0.000 1.256 728 L HN 0.138 nan 8.230 nan 0.000 0.444 729 P HA 0.069 nan 4.420 nan 0.000 0.272 729 P C -0.458 176.874 177.300 0.053 0.000 1.254 729 P CA -0.445 62.687 63.100 0.053 0.000 0.795 729 P CB 0.560 32.273 31.700 0.022 0.000 1.022 730 E N 0.532 120.739 120.200 0.012 0.000 2.217 730 E HA 0.284 4.634 4.350 0.000 0.000 0.279 730 E C 1.009 177.531 176.600 -0.131 0.000 1.068 730 E CA 0.374 56.720 56.400 -0.089 0.000 0.882 730 E CB -0.031 29.605 29.700 -0.106 0.000 1.039 730 E HN 0.765 nan 8.360 nan 0.000 0.418 731 G N 2.725 111.416 108.800 -0.182 0.000 2.221 731 G HA2 -0.239 3.722 3.960 0.000 0.000 0.265 731 G HA3 -0.239 3.722 3.960 0.000 0.000 0.265 731 G C 0.265 175.114 174.900 -0.084 0.000 1.041 731 G CA 0.276 45.284 45.100 -0.152 0.000 0.807 731 G HN 0.687 nan 8.290 nan 0.000 0.502 732 A N -0.192 122.598 122.820 -0.049 0.000 2.305 732 A HA 0.735 5.055 4.320 0.000 0.000 0.322 732 A C 0.433 178.008 177.584 -0.016 0.000 1.187 732 A CA -0.459 51.563 52.037 -0.026 0.000 0.825 732 A CB 0.723 19.720 19.000 -0.006 0.000 1.164 732 A HN 0.307 nan 8.150 nan 0.000 0.498 733 Q N 1.681 121.470 119.800 -0.019 0.000 2.348 733 Q HA 0.302 4.642 4.340 0.000 0.000 0.251 733 Q C 0.320 176.320 176.000 0.001 0.000 1.113 733 Q CA 0.074 55.868 55.803 -0.014 0.000 0.902 733 Q CB 0.586 29.310 28.738 -0.023 0.000 1.333 733 Q HN 0.723 nan 8.270 nan 0.000 0.457 734 V N -0.717 119.206 119.914 0.014 0.000 3.284 734 V HA 0.991 5.111 4.120 0.000 0.000 0.309 734 V C -0.402 175.711 176.094 0.031 0.000 1.190 734 V CA -1.057 61.260 62.300 0.028 0.000 1.038 734 V CB 1.734 33.584 31.823 0.046 0.000 1.198 734 V HN 0.619 nan 8.190 nan 0.000 0.465 735 A N -0.042 122.803 122.820 0.042 0.000 2.380 735 A HA 0.945 5.265 4.320 0.000 0.000 0.315 735 A C -0.903 176.721 177.584 0.066 0.000 1.101 735 A CA -0.677 51.385 52.037 0.042 0.000 0.771 735 A CB 1.838 20.856 19.000 0.029 0.000 1.287 735 A HN 1.528 nan 8.150 nan 0.000 0.436 736 V N 0.712 120.665 119.914 0.066 0.000 2.969 736 V HA 0.491 4.611 4.120 0.000 0.000 0.304 736 V C -0.688 175.423 176.094 0.029 0.000 1.192 736 V CA -0.569 61.780 62.300 0.082 0.000 0.962 736 V CB 1.935 33.864 31.823 0.177 0.000 1.045 736 V HN 1.013 nan 8.190 nan 0.000 0.428 737 E N 2.188 122.366 120.200 -0.038 0.000 2.199 737 E HA 0.748 5.098 4.350 0.000 0.000 0.265 737 E C -0.807 175.711 176.600 -0.136 0.000 0.882 737 E CA -0.314 56.052 56.400 -0.058 0.000 0.759 737 E CB 2.077 31.746 29.700 -0.051 0.000 1.148 737 E HN 0.939 nan 8.360 nan 0.000 0.412 738 T N 0.739 115.258 114.554 -0.059 0.000 2.901 738 T HA 0.418 4.768 4.350 0.000 0.000 0.293 738 T C -2.244 172.474 174.700 0.029 0.000 1.084 738 T CA -1.907 60.168 62.100 -0.042 0.000 1.008 738 T CB 1.485 70.386 68.868 0.056 0.000 1.170 738 T HN 0.142 nan 8.240 nan 0.000 0.509 739 P HA -0.010 nan 4.420 nan 0.000 0.219 739 P C 0.405 177.569 177.300 -0.228 0.000 1.144 739 P CA 1.036 64.057 63.100 -0.132 0.000 0.806 739 P CB -0.193 31.386 31.700 -0.202 0.000 0.771 740 F N -1.226 118.690 119.950 -0.056 0.000 2.664 740 F HA 0.428 4.955 4.527 0.000 0.000 0.301 740 F C 1.638 177.430 175.800 -0.013 0.000 1.126 740 F CA 0.470 58.450 58.000 -0.034 0.000 1.373 740 F CB -0.419 38.587 39.000 0.009 0.000 1.042 740 F HN -0.077 nan 8.300 nan 0.000 0.535 741 G N 0.623 109.480 108.800 0.095 0.000 2.434 741 G HA2 -0.096 3.864 3.960 0.000 0.000 0.671 741 G HA3 -0.096 3.864 3.960 0.000 0.000 0.671 741 G C -1.193 173.748 174.900 0.070 0.000 1.280 741 G CA -1.211 43.934 45.100 0.076 0.000 0.975 741 G HN 0.267 nan 8.290 nan 0.000 0.510 742 R N -0.640 119.897 120.500 0.062 0.000 2.460 742 R HA 0.752 5.092 4.340 0.000 0.000 0.303 742 R C -0.168 176.162 176.300 0.049 0.000 0.968 742 R CA -0.126 56.001 56.100 0.045 0.000 0.889 742 R CB 1.526 31.845 30.300 0.033 0.000 1.123 742 R HN 1.717 nan 8.270 nan 0.000 0.455 743 V N 0.467 120.409 119.914 0.046 0.000 3.048 743 V HA 0.447 4.567 4.120 0.000 0.000 0.303 743 V C -0.947 175.165 176.094 0.031 0.000 1.214 743 V CA -1.136 61.186 62.300 0.035 0.000 0.984 743 V CB 1.813 33.661 31.823 0.041 0.000 1.054 743 V HN 0.950 nan 8.190 nan 0.000 0.430 744 E N 3.560 123.768 120.200 0.013 0.000 2.277 744 E HA 0.897 5.247 4.350 0.000 0.000 0.274 744 E C -0.103 176.497 176.600 0.001 0.000 1.022 744 E CA -0.298 56.108 56.400 0.009 0.000 0.853 744 E CB 2.149 31.846 29.700 -0.003 0.000 1.086 744 E HN 1.427 nan 8.360 nan 0.000 0.397 745 A N 2.343 125.167 122.820 0.007 0.000 3.065 745 A HA 0.798 5.118 4.320 0.000 0.000 0.293 745 A C -1.241 176.341 177.584 -0.004 0.000 1.213 745 A CA -0.978 51.057 52.037 -0.003 0.000 0.667 745 A CB 1.299 20.305 19.000 0.010 0.000 1.412 745 A HN 0.799 nan 8.150 nan 0.000 0.601 746 R N -1.587 118.912 120.500 -0.002 0.000 2.563 746 R HA 0.506 4.846 4.340 0.000 0.000 0.262 746 R C 0.078 176.385 176.300 0.011 0.000 1.128 746 R CA -0.098 55.995 56.100 -0.012 0.000 0.969 746 R CB 1.033 31.301 30.300 -0.052 0.000 1.251 746 R HN 2.168 nan 8.270 nan 0.000 0.442 747 V N -0.041 119.896 119.914 0.038 0.000 1.840 747 V HA -0.266 3.854 4.120 0.000 0.000 0.071 747 V C 0.567 176.895 176.094 0.390 0.000 0.454 747 V CA 1.641 64.037 62.300 0.159 0.000 1.424 747 V CB -1.739 29.900 31.823 -0.305 0.000 1.688 747 V HN 0.764 nan 8.190 nan 0.000 0.841 748 V N 4.661 124.698 119.914 0.205 0.000 2.841 748 V HA -0.152 3.968 4.120 0.000 0.000 0.252 748 V C 2.257 178.443 176.094 0.152 0.000 0.951 748 V CA 1.357 63.738 62.300 0.135 0.000 1.170 748 V CB -0.615 31.221 31.823 0.023 0.000 0.936 748 V HN 1.023 nan 8.190 nan 0.000 0.473 749 H N 5.192 124.350 119.070 0.148 0.000 2.357 749 H HA -0.165 4.391 4.556 0.000 0.000 0.296 749 H C 1.595 176.868 175.328 -0.092 0.000 1.108 749 H CA 2.062 58.112 56.048 0.004 0.000 1.273 749 H CB -0.052 29.707 29.762 -0.005 0.000 1.367 749 H HN 0.667 nan 8.280 nan 0.000 0.498 750 R N -1.038 119.328 120.500 -0.223 0.000 3.326 750 R HA 0.301 4.641 4.340 0.000 0.000 0.149 750 R C -0.684 175.477 176.300 -0.231 0.000 0.820 750 R CA -0.678 55.294 56.100 -0.214 0.000 0.573 750 R CB 0.931 31.174 30.300 -0.095 0.000 1.019 750 R HN -0.051 nan 8.270 nan 0.000 0.362 751 E N 1.983 122.072 120.200 -0.185 0.000 2.141 751 E HA 0.217 4.567 4.350 0.000 0.000 0.259 751 E C -1.464 175.015 176.600 -0.202 0.000 0.883 751 E CA -0.343 55.980 56.400 -0.128 0.000 0.744 751 E CB 1.255 30.962 29.700 0.011 0.000 1.150 751 E HN 0.325 nan 8.360 nan 0.000 0.420 752 D N 0.925 121.209 120.400 -0.194 0.000 2.449 752 D HA 0.164 4.805 4.640 0.000 0.000 0.236 752 D C 0.527 176.741 176.300 -0.143 0.000 1.149 752 D CA 0.297 54.193 54.000 -0.174 0.000 0.878 752 D CB 0.853 41.581 40.800 -0.120 0.000 1.198 752 D HN 0.202 nan 8.370 nan 0.000 0.446 753 V N -0.781 119.031 119.914 -0.170 0.000 3.076 753 V HA 0.801 4.921 4.120 0.000 0.000 0.311 753 V C -2.853 173.139 176.094 -0.170 0.000 1.346 753 V CA -1.595 60.579 62.300 -0.210 0.000 1.056 753 V CB 1.870 33.401 31.823 -0.486 0.000 1.093 753 V HN 0.431 nan 8.190 nan 0.000 0.468 754 P HA 0.457 nan 4.420 nan 0.000 0.339 754 P C -1.680 175.563 177.300 -0.094 0.000 1.229 754 P CA -0.629 62.455 63.100 -0.026 0.000 0.786 754 P CB 0.586 32.378 31.700 0.153 0.000 1.800 755 K N -0.040 120.401 120.400 0.068 0.000 2.276 755 K HA 0.565 4.885 4.320 0.000 0.000 0.285 755 K C 0.193 176.812 176.600 0.032 0.000 1.062 755 K CA -0.252 55.966 56.287 -0.114 0.000 0.918 755 K CB -0.548 31.671 32.500 -0.468 0.000 1.055 755 K HN 0.723 nan 8.250 nan 0.000 0.477 756 G N 3.683 112.498 108.800 0.025 0.000 2.520 756 G HA2 -0.146 3.814 3.960 0.000 0.000 0.264 756 G HA3 -0.146 3.814 3.960 0.000 0.000 0.264 756 G C -0.840 174.340 174.900 0.466 0.000 1.140 756 G CA -0.013 45.130 45.100 0.071 0.000 1.012 756 G HN 1.149 nan 8.290 nan 0.000 0.511 757 H N -2.399 116.631 119.070 -0.067 0.000 3.136 757 H HA 0.438 4.994 4.556 0.000 0.000 0.313 757 H C -0.750 174.525 175.328 -0.088 0.000 1.103 757 H CA -1.568 54.462 56.048 -0.030 0.000 1.437 757 H CB 0.092 29.722 29.762 -0.221 0.000 2.063 757 H HN 0.655 nan 8.280 nan 0.000 0.495 758 L N 1.095 122.349 121.223 0.052 0.000 3.263 758 L HA 0.259 4.599 4.340 0.000 0.000 0.349 758 L C -0.824 176.156 176.870 0.184 0.000 1.313 758 L CA -0.313 54.515 54.840 -0.019 0.000 0.830 758 L CB -0.552 41.502 42.059 -0.008 0.000 1.271 758 L HN 0.442 nan 8.230 nan 0.000 0.596 759 Y N 0.495 120.878 120.300 0.138 0.000 2.458 759 Y HA 0.735 5.285 4.550 0.000 0.000 0.322 759 Y C 0.238 176.291 175.900 0.256 0.000 1.259 759 Y CA -0.769 57.447 58.100 0.194 0.000 1.302 759 Y CB 1.230 39.780 38.460 0.150 0.000 1.314 759 Y HN -0.020 nan 8.280 nan 0.000 0.509 760 L N 1.353 122.895 121.223 0.532 0.000 2.357 760 L HA 0.576 4.916 4.340 0.000 0.000 0.273 760 L C 0.058 177.084 176.870 0.259 0.000 1.080 760 L CA 0.013 55.070 54.840 0.362 0.000 0.803 760 L CB 1.323 43.532 42.059 0.250 0.000 1.174 760 L HN 0.716 nan 8.230 nan 0.000 0.443 761 S N 0.272 116.110 115.700 0.229 0.000 2.880 761 S HA 0.896 5.366 4.470 0.000 0.000 0.308 761 S C -0.704 173.933 174.600 0.061 0.000 1.195 761 S CA -0.608 57.671 58.200 0.131 0.000 0.866 761 S CB 0.817 64.115 63.200 0.164 0.000 1.254 761 S HN 0.749 nan 8.310 nan 0.000 0.571 762 A N 0.698 123.494 122.820 -0.039 0.000 2.440 762 A HA 0.559 4.879 4.320 0.000 0.000 0.251 762 A C 0.031 177.394 177.584 -0.368 0.000 1.089 762 A CA -0.525 51.438 52.037 -0.124 0.000 0.779 762 A CB -0.443 18.488 19.000 -0.115 0.000 1.022 762 A HN 1.001 nan 8.150 nan 0.000 0.492 763 L N 2.121 123.155 121.223 -0.315 0.000 2.453 763 L HA 0.640 4.980 4.340 0.000 0.000 0.261 763 L C 0.461 177.083 176.870 -0.412 0.000 1.179 763 L CA 0.639 55.168 54.840 -0.518 0.000 0.813 763 L CB 1.146 43.242 42.059 0.061 0.000 1.110 763 L HN 0.971 nan 8.230 nan 0.000 0.466 764 G N 3.511 112.080 108.800 -0.384 0.000 3.100 764 G HA2 0.135 4.095 3.960 0.000 0.000 0.233 764 G HA3 0.135 4.095 3.960 0.000 0.000 0.233 764 G C -2.946 171.937 174.900 -0.029 0.000 3.794 764 G CA -0.327 44.682 45.100 -0.152 0.000 0.453 764 G HN 0.485 nan 8.290 nan 0.000 0.329 765 P HA 0.451 nan 4.420 nan 0.000 0.206 765 P C 0.832 178.172 177.300 0.067 0.000 1.867 765 P CA -0.024 63.150 63.100 0.123 0.000 0.991 765 P CB 0.497 32.307 31.700 0.184 0.000 1.822 766 A N 1.356 124.198 122.820 0.037 0.000 2.608 766 A HA 0.209 4.529 4.320 0.000 0.000 0.247 766 A C 0.836 178.437 177.584 0.029 0.000 0.972 766 A CA 0.787 52.839 52.037 0.024 0.000 0.838 766 A CB -0.253 18.756 19.000 0.015 0.000 0.856 766 A HN 0.552 nan 8.150 nan 0.000 0.478 767 A N 0.000 122.834 122.820 0.023 0.000 2.254 767 A HA 0.000 4.320 4.320 0.000 0.000 0.244 767 A CA 0.000 52.050 52.037 0.022 0.000 0.836 767 A CB 0.000 19.013 19.000 0.022 0.000 0.831 767 A HN 0.000 nan 8.150 nan 0.000 0.486