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_U 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 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.073 0.000 0.988 1 M CB 0.000 32.545 32.600 -0.091 0.000 1.302 2 V N 1.253 121.143 119.914 -0.041 0.000 3.170 2 V HA 0.531 4.651 4.120 0.000 0.000 0.309 2 V C -0.094 175.996 176.094 -0.006 0.000 1.071 2 V CA -0.550 61.740 62.300 -0.017 0.000 1.063 2 V CB 1.516 33.335 31.823 -0.007 0.000 1.123 2 V HN 0.734 nan 8.190 nan 0.000 0.464 3 R N 1.083 121.584 120.500 0.003 0.000 2.409 3 R HA 0.671 5.011 4.340 0.000 0.000 0.313 3 R C -1.721 174.589 176.300 0.017 0.000 0.953 3 R CA -0.472 55.635 56.100 0.010 0.000 0.849 3 R CB 1.783 32.085 30.300 0.003 0.000 1.171 3 R HN 0.466 nan 8.270 nan 0.000 0.458 4 V N 3.037 122.969 119.914 0.029 0.000 2.487 4 V HA 0.307 4.427 4.120 0.000 0.000 0.298 4 V C -0.148 175.958 176.094 0.020 0.000 1.028 4 V CA -0.925 61.392 62.300 0.029 0.000 0.860 4 V CB 1.970 33.820 31.823 0.045 0.000 0.991 4 V HN 0.608 nan 8.190 nan 0.000 0.427 5 K N 3.659 124.064 120.400 0.008 0.000 2.267 5 K HA 0.469 4.789 4.320 0.000 0.000 0.282 5 K C 0.317 176.900 176.600 -0.029 0.000 1.078 5 K CA -0.318 55.965 56.287 -0.008 0.000 0.903 5 K CB 1.523 34.020 32.500 -0.003 0.000 1.111 5 K HN 0.495 nan 8.250 nan 0.000 0.475 6 V N 4.306 124.170 119.914 -0.083 0.000 2.239 6 V HA -0.191 3.929 4.120 0.000 0.000 0.236 6 V C 1.373 177.337 176.094 -0.216 0.000 1.040 6 V CA 1.559 63.753 62.300 -0.176 0.000 0.996 6 V CB -0.257 31.382 31.823 -0.307 0.000 0.640 6 V HN 0.844 nan 8.190 nan 0.000 0.456 7 N N -0.433 118.080 118.700 -0.312 0.000 3.251 7 N HA 0.055 4.795 4.740 0.000 0.000 0.227 7 N C 0.993 176.448 175.510 -0.091 0.000 1.084 7 N CA 1.141 54.060 53.050 -0.219 0.000 1.167 7 N CB -0.036 38.241 38.487 -0.349 0.000 1.548 7 N HN 0.625 nan 8.380 nan 0.000 0.592 8 D N -0.770 119.588 120.400 -0.070 0.000 2.469 8 D HA 0.170 4.811 4.640 0.000 0.000 0.213 8 D C 0.349 176.653 176.300 0.006 0.000 1.135 8 D CA -0.020 53.979 54.000 -0.001 0.000 0.834 8 D CB 0.637 41.460 40.800 0.039 0.000 1.009 8 D HN -0.082 nan 8.370 nan 0.000 0.507 9 R N 0.562 121.053 120.500 -0.016 0.000 2.393 9 R HA 0.597 4.937 4.340 0.000 0.000 0.310 9 R C -0.740 175.553 176.300 -0.013 0.000 0.968 9 R CA -0.599 55.508 56.100 0.012 0.000 0.867 9 R CB 1.279 31.623 30.300 0.075 0.000 1.124 9 R HN 0.054 nan 8.270 nan 0.000 0.450 10 I N 3.941 124.513 120.570 0.004 0.000 2.437 10 I HA 0.446 4.616 4.170 0.000 0.000 0.298 10 I C -0.614 175.515 176.117 0.020 0.000 0.984 10 I CA -0.983 60.321 61.300 0.007 0.000 1.214 10 I CB 1.923 39.927 38.000 0.007 0.000 1.365 10 I HN 0.235 nan 8.210 nan 0.000 0.469 11 V N 3.911 123.847 119.914 0.038 0.000 2.851 11 V HA 0.298 4.418 4.120 0.000 0.000 0.307 11 V C -0.672 175.472 176.094 0.083 0.000 1.129 11 V CA -0.951 61.392 62.300 0.071 0.000 0.932 11 V CB 2.066 33.963 31.823 0.123 0.000 1.024 11 V HN 0.560 nan 8.190 nan 0.000 0.426 12 E N 2.322 122.569 120.200 0.078 0.000 2.152 12 E HA 0.529 4.879 4.350 0.000 0.000 0.285 12 E C -0.856 175.760 176.600 0.027 0.000 1.043 12 E CA -0.032 56.390 56.400 0.037 0.000 0.839 12 E CB 2.160 31.869 29.700 0.015 0.000 1.069 12 E HN 0.486 nan 8.360 nan 0.000 0.399 13 V N 5.408 125.307 119.914 -0.025 0.000 2.808 13 V HA 0.346 4.466 4.120 0.000 0.000 0.308 13 V C -2.419 173.580 176.094 -0.158 0.000 1.099 13 V CA -2.369 59.853 62.300 -0.131 0.000 0.920 13 V CB 2.510 34.319 31.823 -0.024 0.000 1.014 13 V HN 0.464 nan 8.190 nan 0.000 0.425 14 P HA 0.056 nan 4.420 nan 0.000 0.271 14 P C -2.202 175.018 177.300 -0.132 0.000 1.212 14 P CA -0.407 62.526 63.100 -0.279 0.000 0.788 14 P CB -0.068 31.292 31.700 -0.566 0.000 0.865 15 P HA -0.149 nan 4.420 nan 0.000 0.215 15 P C 1.350 178.655 177.300 0.008 0.000 1.153 15 P CA 1.992 65.073 63.100 -0.031 0.000 0.853 15 P CB -0.585 31.098 31.700 -0.028 0.000 0.788 16 G N -0.594 108.222 108.800 0.026 0.000 3.262 16 G HA2 0.046 4.006 3.960 0.000 0.000 0.228 16 G HA3 0.046 4.006 3.960 0.000 0.000 0.228 16 G C 0.330 175.294 174.900 0.107 0.000 1.197 16 G CA -0.009 45.133 45.100 0.069 0.000 0.819 16 G HN 0.194 nan 8.290 nan 0.000 0.531 17 T N 0.395 115.018 114.554 0.115 0.000 2.900 17 T HA 0.306 4.656 4.350 0.000 0.000 0.307 17 T C 0.609 175.393 174.700 0.140 0.000 1.065 17 T CA 0.176 62.393 62.100 0.194 0.000 1.105 17 T CB 1.413 70.421 68.868 0.234 0.000 0.979 17 T HN 0.132 nan 8.240 nan 0.000 0.544 18 S N 1.592 117.371 115.700 0.131 0.000 2.475 18 S HA 0.191 4.661 4.470 0.000 0.000 0.281 18 S C 1.576 176.241 174.600 0.110 0.000 1.198 18 S CA -0.936 57.324 58.200 0.098 0.000 1.063 18 S CB 0.417 63.666 63.200 0.081 0.000 0.972 18 S HN 0.480 nan 8.310 nan 0.000 0.486 19 V N 6.928 126.896 119.914 0.089 0.000 2.311 19 V HA -0.319 3.801 4.120 0.000 0.000 0.256 19 V C 2.330 178.477 176.094 0.087 0.000 1.077 19 V CA 2.804 65.150 62.300 0.076 0.000 1.067 19 V CB -1.065 30.787 31.823 0.048 0.000 0.659 19 V HN 1.001 nan 8.190 nan 0.000 0.451 20 M N 0.692 120.358 119.600 0.111 0.000 2.286 20 M HA -0.273 4.207 4.480 0.000 0.000 0.262 20 M C 1.884 178.323 176.300 0.231 0.000 1.071 20 M CA 2.818 58.222 55.300 0.173 0.000 1.091 20 M CB -0.604 32.148 32.600 0.253 0.000 1.260 20 M HN 0.348 nan 8.290 nan 0.000 0.442 21 D N 0.706 121.231 120.400 0.208 0.000 2.203 21 D HA -0.181 4.459 4.640 0.000 0.000 0.199 21 D C 1.895 178.352 176.300 0.262 0.000 0.997 21 D CA 1.695 55.782 54.000 0.145 0.000 0.863 21 D CB -0.356 40.262 40.800 -0.303 0.000 0.928 21 D HN 0.568 nan 8.370 nan 0.000 0.458 22 A N 0.376 123.333 122.820 0.228 0.000 1.841 22 A HA -0.204 4.116 4.320 0.000 0.000 0.216 22 A C 2.433 180.142 177.584 0.209 0.000 1.199 22 A CA 1.623 53.811 52.037 0.251 0.000 0.621 22 A CB -1.071 18.021 19.000 0.153 0.000 0.835 22 A HN 0.133 nan 8.150 nan 0.000 0.445 23 V N -1.070 118.894 119.914 0.083 0.000 2.215 23 V HA -0.320 3.800 4.120 0.000 0.000 0.249 23 V C 2.339 178.423 176.094 -0.017 0.000 1.054 23 V CA 2.556 64.839 62.300 -0.028 0.000 1.012 23 V CB -1.148 30.575 31.823 -0.168 0.000 0.639 23 V HN 0.553 nan 8.190 nan 0.000 0.448 24 F N -0.152 119.789 119.950 -0.015 0.000 2.236 24 F HA -0.214 4.313 4.527 0.000 0.000 0.302 24 F C 2.366 177.956 175.800 -0.351 0.000 1.073 24 F CA 2.098 59.928 58.000 -0.283 0.000 1.336 24 F CB -0.770 37.840 39.000 -0.650 0.000 1.040 24 F HN 0.332 nan 8.300 nan 0.000 0.507 25 H N -0.226 118.849 119.070 0.008 0.000 2.363 25 H HA 0.046 4.602 4.556 0.000 0.000 0.301 25 H C 2.153 177.588 175.328 0.179 0.000 1.074 25 H CA 1.385 57.584 56.048 0.250 0.000 1.354 25 H CB -0.390 29.635 29.762 0.438 0.000 1.397 25 H HN 0.069 nan 8.280 nan 0.000 0.516 26 A N -0.312 122.578 122.820 0.117 0.000 2.125 26 A HA 0.126 4.446 4.320 0.000 0.000 0.219 26 A C 1.788 179.471 177.584 0.165 0.000 1.156 26 A CA 1.265 53.346 52.037 0.073 0.000 0.671 26 A CB -0.951 18.103 19.000 0.090 0.000 0.794 26 A HN 0.920 nan 8.150 nan 0.000 0.459 27 G N -2.979 105.915 108.800 0.156 0.000 2.288 27 G HA2 -0.167 3.793 3.960 0.000 0.000 0.205 27 G HA3 -0.167 3.793 3.960 0.000 0.000 0.205 27 G C -0.249 174.648 174.900 -0.005 0.000 1.071 27 G CA 0.175 45.326 45.100 0.085 0.000 0.788 27 G HN 0.403 nan 8.290 nan 0.000 0.491 28 Y N 0.176 120.423 120.300 -0.089 0.000 3.123 28 Y HA 0.737 5.287 4.550 0.000 0.000 0.305 28 Y C 0.424 176.153 175.900 -0.285 0.000 1.560 28 Y CA -0.292 57.725 58.100 -0.139 0.000 1.048 28 Y CB 1.169 39.540 38.460 -0.149 0.000 1.380 28 Y HN 0.342 nan 8.280 nan 0.000 0.618 29 D N -0.671 119.652 120.400 -0.128 0.000 2.596 29 D HA 0.574 5.214 4.640 0.000 0.000 0.262 29 D C -1.734 174.479 176.300 -0.145 0.000 1.210 29 D CA -0.611 53.245 54.000 -0.239 0.000 0.873 29 D CB 2.041 42.942 40.800 0.168 0.000 1.408 29 D HN 0.447 nan 8.370 nan 0.000 0.441 30 V N -0.239 119.650 119.914 -0.041 0.000 3.036 30 V HA 0.320 4.440 4.120 0.000 0.000 0.280 30 V C -2.882 173.170 176.094 -0.069 0.000 1.497 30 V CA -1.486 60.749 62.300 -0.109 0.000 0.982 30 V CB 2.516 34.244 31.823 -0.158 0.000 1.171 30 V HN 0.429 nan 8.190 nan 0.000 0.444 31 P HA 0.100 nan 4.420 nan 0.000 0.254 31 P C -0.779 176.532 177.300 0.017 0.000 1.186 31 P CA 0.178 63.108 63.100 -0.284 0.000 0.868 31 P CB -0.074 31.293 31.700 -0.556 0.000 0.856 32 L N 4.923 126.262 121.223 0.192 0.000 2.281 32 L HA 0.257 4.597 4.340 0.000 0.000 0.285 32 L C 0.133 177.226 176.870 0.372 0.000 1.074 32 L CA 0.488 55.429 54.840 0.169 0.000 0.817 32 L CB 0.175 42.213 42.059 -0.034 0.000 1.168 32 L HN 0.380 nan 8.230 nan 0.000 0.434 33 F N 2.250 122.175 119.950 -0.041 0.000 2.360 33 F HA -0.004 4.523 4.527 0.000 0.000 0.295 33 F C 1.914 177.715 175.800 0.002 0.000 0.844 33 F CA 0.449 58.437 58.000 -0.020 0.000 1.072 33 F CB -0.059 38.937 39.000 -0.008 0.000 1.005 33 F HN 0.609 nan 8.300 nan 0.000 0.727 34 C N -0.978 118.446 119.300 0.206 0.000 2.611 34 C HA 0.389 4.849 4.460 0.000 0.000 0.282 34 C C 1.348 176.396 174.990 0.097 0.000 1.321 34 C CA -0.221 58.880 59.018 0.139 0.000 1.747 34 C CB -1.020 26.806 27.740 0.144 0.000 2.124 34 C HN 0.150 nan 8.230 nan 0.000 0.531 35 S N 1.446 117.197 115.700 0.085 0.000 2.600 35 S HA 0.507 4.977 4.470 0.000 0.000 0.265 35 S C -0.472 174.149 174.600 0.035 0.000 1.325 35 S CA 0.283 58.528 58.200 0.074 0.000 1.002 35 S CB 0.780 64.034 63.200 0.090 0.000 0.921 35 S HN 0.783 nan 8.310 nan 0.000 0.554 36 E N 0.366 120.608 120.200 0.069 0.000 2.400 36 E HA 0.209 4.559 4.350 0.000 0.000 0.285 36 E C -1.715 174.969 176.600 0.140 0.000 1.005 36 E CA -0.528 55.911 56.400 0.064 0.000 0.816 36 E CB 0.651 30.399 29.700 0.080 0.000 1.220 36 E HN 0.408 nan 8.360 nan 0.000 0.426 37 K N 2.717 123.210 120.400 0.155 0.000 2.530 37 K HA 0.019 4.339 4.320 0.000 0.000 0.280 37 K C -0.420 176.356 176.600 0.294 0.000 1.004 37 K CA 1.073 57.474 56.287 0.190 0.000 1.071 37 K CB -0.165 32.464 32.500 0.216 0.000 0.876 37 K HN 0.738 nan 8.250 nan 0.000 0.487 38 H N -1.337 117.794 119.070 0.102 0.000 3.415 38 H HA -0.186 4.370 4.556 0.000 0.000 0.213 38 H C -0.671 174.791 175.328 0.224 0.000 1.091 38 H CA 1.051 57.203 56.048 0.174 0.000 1.182 38 H CB -1.493 28.422 29.762 0.255 0.000 1.160 38 H HN 0.380 nan 8.280 nan 0.000 0.319 39 L N 0.317 121.698 121.223 0.263 0.000 2.319 39 L HA 0.465 4.805 4.340 0.000 0.000 0.267 39 L C 0.392 177.342 176.870 0.133 0.000 1.011 39 L CA -0.757 54.210 54.840 0.212 0.000 0.818 39 L CB 1.739 43.932 42.059 0.224 0.000 1.316 39 L HN 0.196 nan 8.230 nan 0.000 0.432 40 S N 1.721 117.484 115.700 0.105 0.000 2.509 40 S HA 0.193 4.663 4.470 0.000 0.000 0.287 40 S C -2.286 172.363 174.600 0.081 0.000 1.248 40 S CA -1.093 57.153 58.200 0.077 0.000 1.089 40 S CB -0.207 63.028 63.200 0.059 0.000 0.900 40 S HN 0.320 nan 8.310 nan 0.000 0.496 41 P HA 0.278 nan 4.420 nan 0.000 0.268 41 P C -0.031 177.310 177.300 0.069 0.000 1.205 41 P CA -0.297 62.851 63.100 0.079 0.000 0.771 41 P CB 0.438 32.185 31.700 0.078 0.000 0.858 42 I N -1.914 118.699 120.570 0.072 0.000 3.174 42 I HA 0.603 4.773 4.170 0.000 0.000 0.313 42 I C 1.022 177.173 176.117 0.057 0.000 1.155 42 I CA -1.214 60.124 61.300 0.063 0.000 0.977 42 I CB 1.552 39.596 38.000 0.074 0.000 1.248 42 I HN 0.281 nan 8.210 nan 0.000 0.453 43 G N 1.149 109.975 108.800 0.043 0.000 2.623 43 G HA2 0.290 4.250 3.960 0.000 0.000 0.214 43 G HA3 0.290 4.250 3.960 0.000 0.000 0.214 43 G C 0.795 175.713 174.900 0.029 0.000 1.138 43 G CA 0.473 45.592 45.100 0.031 0.000 0.794 43 G HN 0.953 nan 8.290 nan 0.000 0.535 44 A N -0.541 122.303 122.820 0.039 0.000 2.547 44 A HA 0.337 4.657 4.320 0.000 0.000 0.233 44 A C 1.498 179.114 177.584 0.053 0.000 1.067 44 A CA 0.749 52.809 52.037 0.038 0.000 0.763 44 A CB -0.560 18.474 19.000 0.058 0.000 1.007 44 A HN 1.990 nan 8.150 nan 0.000 0.506 45 C N 1.819 121.143 119.300 0.040 0.000 4.395 45 C HA -0.094 4.366 4.460 0.000 0.000 0.314 45 C C 0.505 175.491 174.990 -0.008 0.000 1.198 45 C CA -0.014 59.031 59.018 0.044 0.000 2.199 45 C CB -2.790 25.034 27.740 0.138 0.000 1.280 45 C HN 0.893 nan 8.230 nan 0.000 0.686 46 R N 1.457 121.941 120.500 -0.027 0.000 4.219 46 R HA 0.006 4.346 4.340 0.000 0.000 0.159 46 R C 1.476 177.726 176.300 -0.083 0.000 1.934 46 R CA 0.731 56.806 56.100 -0.041 0.000 1.395 46 R CB 0.004 30.284 30.300 -0.033 0.000 1.320 46 R HN 0.739 nan 8.270 nan 0.000 0.765 47 M N -0.447 119.089 119.600 -0.106 0.000 2.906 47 M HA -0.023 4.457 4.480 0.000 0.000 0.252 47 M C 2.008 178.206 176.300 -0.169 0.000 1.359 47 M CA 0.766 55.953 55.300 -0.188 0.000 1.239 47 M CB -0.693 31.741 32.600 -0.277 0.000 1.229 47 M HN 0.434 nan 8.290 nan 0.000 0.547 48 C N 2.414 121.660 119.300 -0.089 0.000 2.420 48 C HA 0.356 4.816 4.460 0.000 0.000 0.373 48 C C 1.022 175.970 174.990 -0.070 0.000 1.356 48 C CA -1.092 57.888 59.018 -0.063 0.000 1.531 48 C CB -2.563 25.193 27.740 0.027 0.000 1.613 48 C HN 0.238 nan 8.230 nan 0.000 0.597 49 L N 1.502 122.665 121.223 -0.100 0.000 2.467 49 L HA 0.487 4.827 4.340 0.000 0.000 0.270 49 L C 0.550 177.357 176.870 -0.105 0.000 1.205 49 L CA 0.382 55.167 54.840 -0.092 0.000 0.828 49 L CB 0.840 42.838 42.059 -0.101 0.000 1.101 49 L HN 0.510 nan 8.230 nan 0.000 0.479 50 V N 0.314 120.169 119.914 -0.099 0.000 3.230 50 V HA 0.581 4.702 4.120 0.000 0.000 0.302 50 V C -1.021 174.989 176.094 -0.140 0.000 1.421 50 V CA -1.167 61.062 62.300 -0.119 0.000 1.065 50 V CB 2.084 33.849 31.823 -0.096 0.000 1.097 50 V HN 0.792 nan 8.190 nan 0.000 0.460 51 R N 0.524 120.907 120.500 -0.194 0.000 2.494 51 R HA 0.839 5.179 4.340 0.000 0.000 0.305 51 R C -1.452 174.725 176.300 -0.205 0.000 0.959 51 R CA -0.648 55.288 56.100 -0.274 0.000 0.864 51 R CB 1.597 31.596 30.300 -0.502 0.000 1.159 51 R HN 0.865 nan 8.270 nan 0.000 0.446 52 I N 1.654 122.184 120.570 -0.066 0.000 3.108 52 I HA 0.697 4.867 4.170 0.000 0.000 0.312 52 I C 0.197 176.541 176.117 0.379 0.000 1.095 52 I CA -0.939 60.434 61.300 0.122 0.000 1.000 52 I CB 2.572 40.619 38.000 0.078 0.000 1.229 52 I HN 0.825 nan 8.210 nan 0.000 0.454 53 G N 2.767 111.811 108.800 0.407 0.000 2.506 53 G HA2 0.546 4.506 3.960 0.000 0.000 0.292 53 G HA3 0.546 4.506 3.960 0.000 0.000 0.292 53 G C -2.209 172.738 174.900 0.078 0.000 1.425 53 G CA -0.294 44.993 45.100 0.312 0.000 0.788 53 G HN 0.403 nan 8.290 nan 0.000 0.490 74 Q N 3.850 123.488 119.800 -0.271 0.000 2.307 74 Q HA 0.455 4.795 4.340 0.000 0.000 0.262 74 Q C -1.669 174.315 176.000 -0.027 0.000 0.961 74 Q CA -0.586 55.116 55.803 -0.167 0.000 0.882 74 Q CB 1.270 29.973 28.738 -0.058 0.000 1.264 74 Q HN 0.788 nan 8.270 nan 0.000 0.446 75 W N 4.354 125.646 121.300 -0.014 0.000 2.485 75 W HA 0.115 4.775 4.660 0.000 0.000 0.315 75 W C 0.423 176.933 176.519 -0.015 0.000 1.304 75 W CA -1.055 56.280 57.345 -0.016 0.000 1.345 75 W CB 0.854 30.304 29.460 -0.017 0.000 1.368 75 W HN 0.340 nan 8.180 nan 0.000 0.497 76 Q N 3.918 123.887 119.800 0.281 0.000 2.308 76 Q HA -0.107 4.233 4.340 0.000 0.000 0.313 76 Q C -1.161 174.891 176.000 0.087 0.000 1.075 76 Q CA -0.144 55.739 55.803 0.132 0.000 0.995 76 Q CB 0.344 29.136 28.738 0.090 0.000 1.107 76 Q HN 0.337 nan 8.270 nan 0.000 0.380 77 P HA -0.219 nan 4.420 nan 0.000 0.217 77 P C -0.280 177.025 177.300 0.008 0.000 1.158 77 P CA 1.912 65.034 63.100 0.037 0.000 0.887 77 P CB 0.233 31.950 31.700 0.027 0.000 0.792 78 K N -1.353 119.047 120.400 -0.001 0.000 2.375 78 K HA 0.457 4.777 4.320 0.000 0.000 0.249 78 K C -0.504 176.075 176.600 -0.036 0.000 0.942 78 K CA -1.059 55.215 56.287 -0.022 0.000 0.806 78 K CB 1.455 33.945 32.500 -0.017 0.000 1.227 78 K HN -0.168 nan 8.250 nan 0.000 0.430 79 L N 1.366 122.554 121.223 -0.058 0.000 2.516 79 L HA 0.152 4.492 4.340 0.000 0.000 0.288 79 L C 0.336 177.176 176.870 -0.049 0.000 1.246 79 L CA 0.077 54.873 54.840 -0.074 0.000 0.844 79 L CB 0.283 42.290 42.059 -0.087 0.000 1.106 79 L HN 0.891 nan 8.230 nan 0.000 0.509 80 A N 1.701 124.492 122.820 -0.048 0.000 2.384 80 A HA 0.788 5.108 4.320 0.000 0.000 0.312 80 A C -0.265 177.303 177.584 -0.026 0.000 1.113 80 A CA -0.500 51.521 52.037 -0.027 0.000 0.779 80 A CB 1.455 20.448 19.000 -0.012 0.000 1.307 80 A HN 0.763 nan 8.150 nan 0.000 0.436 81 A N 1.132 123.946 122.820 -0.011 0.000 2.666 81 A HA 0.427 4.747 4.320 0.000 0.000 0.301 81 A C 1.334 178.926 177.584 0.014 0.000 1.470 81 A CA 0.544 52.581 52.037 -0.001 0.000 1.159 81 A CB -0.717 18.288 19.000 0.008 0.000 1.116 81 A HN 1.623 nan 8.150 nan 0.000 0.548 82 S N 1.375 117.080 115.700 0.008 0.000 2.461 82 S HA -0.229 4.241 4.470 0.000 0.000 0.246 82 S C 1.663 176.302 174.600 0.065 0.000 1.007 82 S CA 2.062 60.278 58.200 0.027 0.000 0.976 82 S CB -0.794 62.414 63.200 0.013 0.000 0.763 82 S HN 1.241 nan 8.310 nan 0.000 0.508 83 C N -0.264 119.079 119.300 0.070 0.000 2.735 83 C HA 0.494 4.954 4.460 0.000 0.000 0.271 83 C C 1.947 176.982 174.990 0.076 0.000 1.281 83 C CA 0.267 59.343 59.018 0.096 0.000 1.719 83 C CB -1.012 26.792 27.740 0.107 0.000 2.024 83 C HN 0.529 nan 8.230 nan 0.000 0.566 84 V N -1.768 118.180 119.914 0.056 0.000 3.528 84 V HA 0.304 4.424 4.120 0.000 0.000 0.294 84 V C 0.347 176.466 176.094 0.042 0.000 1.404 84 V CA 0.374 62.703 62.300 0.048 0.000 1.065 84 V CB -0.815 31.032 31.823 0.040 0.000 0.904 84 V HN 0.401 nan 8.190 nan 0.000 0.435 85 T N 3.070 117.649 114.554 0.042 0.000 2.771 85 T HA 0.760 5.110 4.350 0.000 0.000 0.291 85 T C 0.385 175.113 174.700 0.046 0.000 0.954 85 T CA 0.534 62.656 62.100 0.037 0.000 1.045 85 T CB 1.314 70.200 68.868 0.030 0.000 0.917 85 T HN 0.740 nan 8.240 nan 0.000 0.484 86 A N 3.059 125.904 122.820 0.043 0.000 2.332 86 A HA 0.656 4.976 4.320 0.000 0.000 0.258 86 A C 0.615 178.228 177.584 0.047 0.000 1.087 86 A CA -0.682 51.384 52.037 0.047 0.000 0.802 86 A CB 0.171 19.195 19.000 0.040 0.000 1.042 86 A HN 0.849 nan 8.150 nan 0.000 0.489 87 V N -1.671 118.274 119.914 0.052 0.000 2.997 87 V HA 0.877 4.997 4.120 0.000 0.000 0.311 87 V C 0.259 176.375 176.094 0.035 0.000 1.066 87 V CA -0.175 62.154 62.300 0.049 0.000 1.039 87 V CB 0.963 32.822 31.823 0.061 0.000 1.081 87 V HN 1.744 nan 8.190 nan 0.000 0.467 88 A N 1.117 123.956 122.820 0.031 0.000 2.498 88 A HA 0.555 4.875 4.320 0.000 0.000 0.298 88 A C -0.635 176.959 177.584 0.016 0.000 1.075 88 A CA -0.633 51.417 52.037 0.021 0.000 0.714 88 A CB 1.457 20.470 19.000 0.021 0.000 1.299 88 A HN 0.933 nan 8.150 nan 0.000 0.407 89 D N 0.652 121.057 120.400 0.008 0.000 2.434 89 D HA 0.370 5.010 4.640 0.000 0.000 0.252 89 D C 1.322 177.623 176.300 0.002 0.000 1.185 89 D CA 2.222 56.224 54.000 0.003 0.000 0.886 89 D CB 0.572 41.371 40.800 -0.002 0.000 1.148 89 D HN 1.455 nan 8.370 nan 0.000 0.483 90 G N 3.714 112.515 108.800 0.002 0.000 2.141 90 G HA2 -0.292 3.668 3.960 0.000 0.000 0.242 90 G HA3 -0.292 3.668 3.960 0.000 0.000 0.242 90 G C 0.574 175.475 174.900 0.002 0.000 0.982 90 G CA 0.373 45.471 45.100 -0.003 0.000 0.662 90 G HN 0.574 nan 8.290 nan 0.000 0.527 91 M N 0.966 120.576 119.600 0.016 0.000 2.243 91 M HA 0.528 5.008 4.480 0.000 0.000 0.341 91 M C -0.113 176.213 176.300 0.043 0.000 1.130 91 M CA 0.064 55.383 55.300 0.033 0.000 1.162 91 M CB 0.942 33.566 32.600 0.040 0.000 1.497 91 M HN 0.011 nan 8.290 nan 0.000 0.456 92 V N 5.602 125.565 119.914 0.082 0.000 2.409 92 V HA 0.394 4.514 4.120 0.000 0.000 0.291 92 V C -0.767 175.427 176.094 0.168 0.000 1.020 92 V CA -0.705 61.669 62.300 0.123 0.000 0.848 92 V CB 1.669 33.589 31.823 0.161 0.000 0.990 92 V HN 0.668 nan 8.190 nan 0.000 0.430 93 V N 4.523 124.478 119.914 0.067 0.000 2.284 93 V HA 0.279 4.399 4.120 0.000 0.000 0.274 93 V C -0.211 175.842 176.094 -0.069 0.000 1.023 93 V CA -0.626 61.675 62.300 0.002 0.000 0.808 93 V CB 1.447 33.253 31.823 -0.028 0.000 1.035 93 V HN 1.040 nan 8.190 nan 0.000 0.445 94 D N 2.966 123.305 120.400 -0.102 0.000 2.264 94 D HA 0.323 4.963 4.640 0.000 0.000 0.250 94 D C 0.912 177.112 176.300 -0.167 0.000 1.113 94 D CA 0.021 53.933 54.000 -0.147 0.000 0.871 94 D CB 1.882 42.568 40.800 -0.190 0.000 1.167 94 D HN 0.546 nan 8.370 nan 0.000 0.447 95 T N 1.175 115.650 114.554 -0.132 0.000 3.200 95 T HA 0.212 4.562 4.350 0.000 0.000 0.284 95 T C 0.473 175.152 174.700 -0.035 0.000 1.009 95 T CA -0.372 61.675 62.100 -0.088 0.000 0.907 95 T CB -0.224 68.609 68.868 -0.059 0.000 1.120 95 T HN 0.338 nan 8.240 nan 0.000 0.534 96 L N 0.109 121.302 121.223 -0.050 0.000 3.360 96 L HA 0.486 4.826 4.340 0.000 0.000 0.303 96 L C 0.650 177.485 176.870 -0.058 0.000 1.218 96 L CA -0.335 54.492 54.840 -0.022 0.000 1.059 96 L CB 0.200 42.275 42.059 0.028 0.000 1.468 96 L HN 0.018 nan 8.230 nan 0.000 0.614 97 S N 1.167 116.805 115.700 -0.103 0.000 2.558 97 S HA -0.039 4.431 4.470 0.000 0.000 0.288 97 S C 0.969 175.493 174.600 -0.126 0.000 1.318 97 S CA -0.145 57.985 58.200 -0.117 0.000 1.056 97 S CB 0.525 63.612 63.200 -0.188 0.000 0.853 97 S HN 0.282 nan 8.310 nan 0.000 0.505 98 D N 1.764 122.107 120.400 -0.095 0.000 2.203 98 D HA -0.123 4.517 4.640 0.000 0.000 0.199 98 D C 1.786 177.967 176.300 -0.198 0.000 0.997 98 D CA 1.054 54.989 54.000 -0.110 0.000 0.863 98 D CB -0.018 40.774 40.800 -0.014 0.000 0.928 98 D HN 0.304 nan 8.370 nan 0.000 0.458 99 V N 0.677 120.493 119.914 -0.164 0.000 2.488 99 V HA -0.156 3.964 4.120 0.000 0.000 0.246 99 V C 2.667 178.636 176.094 -0.207 0.000 1.046 99 V CA 0.702 62.898 62.300 -0.173 0.000 1.053 99 V CB -0.166 31.568 31.823 -0.147 0.000 0.679 99 V HN 0.037 nan 8.190 nan 0.000 0.458 100 V N 0.035 119.827 119.914 -0.204 0.000 2.295 100 V HA -0.260 3.860 4.120 0.000 0.000 0.246 100 V C 2.614 178.586 176.094 -0.202 0.000 1.049 100 V CA 2.087 64.274 62.300 -0.188 0.000 1.024 100 V CB -0.741 30.982 31.823 -0.165 0.000 0.648 100 V HN 0.464 nan 8.190 nan 0.000 0.447 101 R N -0.160 120.194 120.500 -0.243 0.000 2.062 101 R HA -0.208 4.132 4.340 0.000 0.000 0.231 101 R C 2.414 178.444 176.300 -0.450 0.000 1.136 101 R CA 1.766 57.695 56.100 -0.286 0.000 0.948 101 R CB -0.446 29.665 30.300 -0.315 0.000 0.845 101 R HN 0.644 nan 8.270 nan 0.000 0.430 102 E N 0.618 120.392 120.200 -0.709 0.000 2.187 102 E HA -0.254 4.096 4.350 0.000 0.000 0.199 102 E C 1.714 178.162 176.600 -0.254 0.000 1.004 102 E CA 1.481 57.518 56.400 -0.604 0.000 0.813 102 E CB 0.000 29.476 29.700 -0.374 0.000 0.736 102 E HN 0.399 nan 8.360 nan 0.000 0.468 103 A N 0.645 123.332 122.820 -0.221 0.000 1.855 103 A HA -0.190 4.130 4.320 0.000 0.000 0.213 103 A C 2.107 179.600 177.584 -0.152 0.000 1.195 103 A CA 1.413 53.359 52.037 -0.152 0.000 0.610 103 A CB -0.516 18.401 19.000 -0.138 0.000 0.837 103 A HN 0.358 nan 8.150 nan 0.000 0.444 104 Q N -0.105 119.595 119.800 -0.168 0.000 2.061 104 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 104 Q C 2.396 178.313 176.000 -0.138 0.000 0.984 104 Q CA 1.533 57.230 55.803 -0.178 0.000 0.846 104 Q CB -0.583 28.043 28.738 -0.187 0.000 0.902 104 Q HN 0.624 nan 8.270 nan 0.000 0.421 105 A N 1.637 124.395 122.820 -0.103 0.000 1.896 105 A HA -0.237 4.083 4.320 0.000 0.000 0.220 105 A C 2.385 179.895 177.584 -0.123 0.000 1.206 105 A CA 2.154 54.157 52.037 -0.055 0.000 0.647 105 A CB -1.571 17.429 19.000 0.001 0.000 0.828 105 A HN 0.527 nan 8.150 nan 0.000 0.455 106 G N -1.552 107.141 108.800 -0.178 0.000 2.421 106 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 106 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 106 G C 1.479 176.134 174.900 -0.408 0.000 1.171 106 G CA 1.515 46.410 45.100 -0.342 0.000 0.775 106 G HN 0.355 nan 8.290 nan 0.000 0.543 107 M N 0.482 119.972 119.600 -0.184 0.000 2.073 107 M HA -0.084 4.396 4.480 0.000 0.000 0.258 107 M C 2.723 178.963 176.300 -0.101 0.000 1.070 107 M CA 1.041 56.307 55.300 -0.056 0.000 1.103 107 M CB -0.854 31.685 32.600 -0.101 0.000 1.321 107 M HN 0.067 nan 8.290 nan 0.000 0.405 108 V N -0.013 119.802 119.914 -0.165 0.000 2.231 108 V HA -0.366 3.754 4.120 0.000 0.000 0.250 108 V C 2.277 178.322 176.094 -0.081 0.000 1.058 108 V CA 2.475 64.694 62.300 -0.135 0.000 1.022 108 V CB -1.060 30.709 31.823 -0.089 0.000 0.640 108 V HN 0.646 nan 8.190 nan 0.000 0.445 109 E N -0.255 119.856 120.200 -0.148 0.000 2.108 109 E HA -0.289 4.061 4.350 0.000 0.000 0.203 109 E C 1.997 178.543 176.600 -0.090 0.000 1.022 109 E CA 2.303 58.605 56.400 -0.162 0.000 0.823 109 E CB -0.286 29.213 29.700 -0.335 0.000 0.744 109 E HN 0.520 nan 8.360 nan 0.000 0.456 110 F N 0.852 120.766 119.950 -0.059 0.000 2.084 110 F HA -0.118 4.409 4.527 0.000 0.000 0.296 110 F C 2.683 178.453 175.800 -0.050 0.000 1.111 110 F CA 1.594 59.543 58.000 -0.084 0.000 1.224 110 F CB -1.243 37.697 39.000 -0.101 0.000 0.991 110 F HN 0.048 nan 8.300 nan 0.000 0.471 111 T N 0.984 115.631 114.554 0.156 0.000 2.653 111 T HA -0.209 4.141 4.350 0.000 0.000 0.268 111 T C 2.282 177.056 174.700 0.124 0.000 1.035 111 T CA 1.488 63.651 62.100 0.106 0.000 1.154 111 T CB -0.562 68.311 68.868 0.008 0.000 0.862 111 T HN 0.142 nan 8.240 nan 0.000 0.441 112 L N 0.257 121.541 121.223 0.103 0.000 2.109 112 L HA 0.050 4.390 4.340 0.000 0.000 0.207 112 L C 2.477 179.479 176.870 0.220 0.000 1.086 112 L CA 0.596 55.521 54.840 0.142 0.000 0.760 112 L CB -0.694 41.438 42.059 0.120 0.000 0.910 112 L HN 0.255 nan 8.230 nan 0.000 0.437 113 L N 0.424 121.758 121.223 0.184 0.000 2.119 113 L HA -0.358 3.982 4.340 0.000 0.000 0.226 113 L C 1.841 178.910 176.870 0.331 0.000 1.093 113 L CA 1.992 56.947 54.840 0.191 0.000 0.806 113 L CB -0.328 41.710 42.059 -0.035 0.000 0.902 113 L HN 0.371 nan 8.230 nan 0.000 0.444 114 N N -2.206 116.655 118.700 0.268 0.000 2.203 114 N HA 0.009 4.749 4.740 0.000 0.000 0.207 114 N C 0.015 175.708 175.510 0.306 0.000 1.130 114 N CA -0.077 53.152 53.050 0.298 0.000 0.861 114 N CB -0.057 38.553 38.487 0.206 0.000 1.005 114 N HN 0.451 nan 8.380 nan 0.000 0.507 115 H N 1.438 120.628 119.070 0.200 0.000 2.767 115 H HA 0.073 4.629 4.556 0.000 0.000 0.380 115 H C -1.212 174.221 175.328 0.176 0.000 1.409 115 H CA -0.347 55.807 56.048 0.177 0.000 1.463 115 H CB 0.881 30.741 29.762 0.164 0.000 1.514 115 H HN 0.040 nan 8.280 nan 0.000 0.619 116 P HA 0.125 nan 4.420 nan 0.000 0.268 116 P C -0.595 176.722 177.300 0.028 0.000 1.248 116 P CA 0.376 63.460 63.100 -0.027 0.000 0.851 116 P CB 1.252 32.900 31.700 -0.087 0.000 1.238 117 L N 0.182 121.441 121.223 0.061 0.000 3.330 117 L HA -0.108 4.232 4.340 0.000 0.000 0.507 117 L C -0.375 176.533 176.870 0.063 0.000 1.310 117 L CA 0.019 54.913 54.840 0.090 0.000 0.906 117 L CB -2.316 39.788 42.059 0.073 0.000 1.811 117 L HN -0.007 nan 8.230 nan 0.000 0.791 118 D N -1.154 119.287 120.400 0.068 0.000 2.407 118 D HA 0.162 4.802 4.640 0.000 0.000 0.208 118 D C 1.760 178.111 176.300 0.086 0.000 1.083 118 D CA 0.476 54.516 54.000 0.066 0.000 0.844 118 D CB 0.239 41.074 40.800 0.058 0.000 0.967 118 D HN 0.539 nan 8.370 nan 0.000 0.506 119 C N 2.263 121.631 119.300 0.114 0.000 2.269 119 C HA -0.232 4.228 4.460 0.000 0.000 0.264 119 C C 0.191 175.238 174.990 0.093 0.000 1.112 119 C CA 1.518 60.606 59.018 0.118 0.000 1.805 119 C CB -1.801 26.011 27.740 0.121 0.000 1.958 119 C HN 0.374 nan 8.230 nan 0.000 0.418 120 P HA -0.125 nan 4.420 nan 0.000 0.216 120 P C 1.224 178.529 177.300 0.009 0.000 1.153 120 P CA 2.432 65.564 63.100 0.053 0.000 0.858 120 P CB -0.422 31.298 31.700 0.034 0.000 0.789 121 T N -0.751 113.804 114.554 0.001 0.000 2.942 121 T HA -0.038 4.312 4.350 0.000 0.000 0.265 121 T C 1.212 175.911 174.700 -0.001 0.000 1.062 121 T CA 0.331 62.406 62.100 -0.041 0.000 1.139 121 T CB -0.896 67.974 68.868 0.004 0.000 0.883 121 T HN 0.207 nan 8.240 nan 0.000 0.468 122 C N 3.114 122.456 119.300 0.070 0.000 2.653 122 C HA 0.068 4.528 4.460 0.000 0.000 0.421 122 C C 1.668 176.732 174.990 0.123 0.000 1.334 122 C CA -0.565 58.529 59.018 0.127 0.000 1.885 122 C CB -0.367 27.451 27.740 0.130 0.000 2.645 122 C HN 0.393 nan 8.230 nan 0.000 0.601 123 D N 2.009 122.523 120.400 0.189 0.000 2.363 123 D HA -0.012 4.628 4.640 0.000 0.000 0.226 123 D C 1.672 178.025 176.300 0.088 0.000 1.020 123 D CA 0.631 54.726 54.000 0.158 0.000 0.892 123 D CB 0.075 41.013 40.800 0.230 0.000 0.900 123 D HN 0.534 nan 8.370 nan 0.000 0.531 124 K N 0.491 120.948 120.400 0.096 0.000 2.487 124 K HA 0.053 4.373 4.320 0.000 0.000 0.192 124 K C 1.208 177.860 176.600 0.087 0.000 1.027 124 K CA 0.187 56.523 56.287 0.081 0.000 1.054 124 K CB -0.245 32.310 32.500 0.091 0.000 0.824 124 K HN 0.176 nan 8.250 nan 0.000 0.510 125 G N 0.370 109.225 108.800 0.091 0.000 2.551 125 G HA2 -0.353 3.607 3.960 0.000 0.000 0.383 125 G HA3 -0.353 3.607 3.960 0.000 0.000 0.383 125 G C 0.889 175.943 174.900 0.256 0.000 1.370 125 G CA 0.494 45.687 45.100 0.156 0.000 0.940 125 G HN 0.372 nan 8.290 nan 0.000 0.524 126 G N -0.385 108.672 108.800 0.428 0.000 3.061 126 G HA2 0.469 4.429 3.960 0.000 0.000 0.208 126 G HA3 0.469 4.429 3.960 0.000 0.000 0.208 126 G C 1.031 176.047 174.900 0.193 0.000 1.175 126 G CA 1.187 46.472 45.100 0.308 0.000 0.812 126 G HN 1.666 nan 8.290 nan 0.000 0.523 127 A N -0.328 122.586 122.820 0.157 0.000 2.577 127 A HA 0.425 4.745 4.320 0.000 0.000 0.280 127 A C 0.539 178.156 177.584 0.055 0.000 1.331 127 A CA -0.406 51.686 52.037 0.091 0.000 0.935 127 A CB -0.594 18.449 19.000 0.070 0.000 1.082 127 A HN 0.342 nan 8.150 nan 0.000 0.525 128 C N 0.015 119.355 119.300 0.066 0.000 2.330 128 C HA 0.444 4.904 4.460 0.000 0.000 0.344 128 C C 1.346 176.343 174.990 0.012 0.000 1.273 128 C CA -0.317 58.723 59.018 0.036 0.000 1.879 128 C CB 0.048 27.830 27.740 0.071 0.000 2.376 128 C HN 0.767 nan 8.230 nan 0.000 0.534 129 E N 2.228 122.387 120.200 -0.067 0.000 2.107 129 E HA -0.167 4.183 4.350 0.000 0.000 0.191 129 E C 1.693 178.273 176.600 -0.033 0.000 0.982 129 E CA 0.772 57.107 56.400 -0.109 0.000 0.809 129 E CB -0.026 29.488 29.700 -0.310 0.000 0.756 129 E HN 0.783 nan 8.360 nan 0.000 0.459 130 L N 1.612 122.798 121.223 -0.060 0.000 2.017 130 L HA -0.236 4.104 4.340 0.000 0.000 0.208 130 L C 2.170 179.166 176.870 0.210 0.000 1.073 130 L CA 1.842 56.813 54.840 0.219 0.000 0.745 130 L CB -0.425 41.671 42.059 0.062 0.000 0.894 130 L HN 0.058 nan 8.230 nan 0.000 0.432 131 Q N -0.477 119.394 119.800 0.118 0.000 2.002 131 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 131 Q C 1.898 177.976 176.000 0.131 0.000 0.988 131 Q CA 2.214 58.088 55.803 0.118 0.000 0.843 131 Q CB -0.246 28.553 28.738 0.102 0.000 0.908 131 Q HN 0.576 nan 8.270 nan 0.000 0.420 132 D N -0.062 120.413 120.400 0.125 0.000 2.106 132 D HA -0.182 4.458 4.640 0.000 0.000 0.191 132 D C 1.922 178.331 176.300 0.181 0.000 0.997 132 D CA 1.308 55.383 54.000 0.126 0.000 0.834 132 D CB -0.147 40.719 40.800 0.110 0.000 0.956 132 D HN 0.017 nan 8.370 nan 0.000 0.448 133 R N -0.107 120.555 120.500 0.270 0.000 2.127 133 R HA -0.042 4.298 4.340 0.000 0.000 0.238 133 R C 2.304 178.766 176.300 0.270 0.000 1.134 133 R CA 1.355 57.669 56.100 0.356 0.000 0.975 133 R CB -0.737 29.826 30.300 0.438 0.000 0.865 133 R HN 0.175 nan 8.270 nan 0.000 0.447 134 T N -0.440 114.235 114.554 0.201 0.000 2.674 134 T HA -0.124 4.226 4.350 0.000 0.000 0.265 134 T C 1.759 176.535 174.700 0.125 0.000 1.039 134 T CA 1.494 63.680 62.100 0.143 0.000 1.150 134 T CB -0.383 68.560 68.868 0.126 0.000 0.864 134 T HN 0.056 nan 8.240 nan 0.000 0.427 135 V N 0.999 120.980 119.914 0.111 0.000 2.515 135 V HA -0.111 4.009 4.120 0.000 0.000 0.250 135 V C 2.108 178.226 176.094 0.040 0.000 1.058 135 V CA 1.642 63.988 62.300 0.076 0.000 1.064 135 V CB -0.367 31.492 31.823 0.061 0.000 0.675 135 V HN 0.502 nan 8.190 nan 0.000 0.461 136 E N -0.679 119.549 120.200 0.046 0.000 1.987 136 E HA -0.173 4.177 4.350 0.000 0.000 0.198 136 E C 1.986 178.483 176.600 -0.172 0.000 0.968 136 E CA 1.869 58.205 56.400 -0.106 0.000 0.867 136 E CB -0.358 29.270 29.700 -0.120 0.000 0.819 136 E HN 0.691 nan 8.360 nan 0.000 0.516 137 Y N 0.982 121.293 120.300 0.017 0.000 2.373 137 Y HA 0.020 4.570 4.550 0.000 0.000 0.293 137 Y C 1.959 177.858 175.900 -0.001 0.000 1.129 137 Y CA 0.487 58.584 58.100 -0.005 0.000 1.226 137 Y CB -1.226 37.213 38.460 -0.034 0.000 1.000 137 Y HN 0.268 nan 8.280 nan 0.000 0.549 138 G N 1.706 110.606 108.800 0.167 0.000 3.809 138 G HA2 -0.351 3.609 3.960 0.000 0.000 0.276 138 G HA3 -0.351 3.609 3.960 0.000 0.000 0.276 138 G C 0.364 175.312 174.900 0.080 0.000 0.867 138 G CA 0.902 46.063 45.100 0.102 0.000 0.724 138 G HN 0.279 nan 8.290 nan 0.000 1.380 139 L N -0.121 121.140 121.223 0.064 0.000 2.380 139 L HA 0.443 4.783 4.340 0.000 0.000 0.273 139 L C -0.280 176.646 176.870 0.093 0.000 1.138 139 L CA -0.643 54.222 54.840 0.042 0.000 0.832 139 L CB 1.027 43.066 42.059 -0.033 0.000 1.124 139 L HN 0.507 nan 8.230 nan 0.000 0.454 140 Y N 3.913 124.180 120.300 -0.054 0.000 2.350 140 Y HA 0.496 5.046 4.550 0.000 0.000 0.338 140 Y C -0.697 175.167 175.900 -0.059 0.000 0.961 140 Y CA -0.792 57.279 58.100 -0.049 0.000 1.100 140 Y CB 1.159 39.593 38.460 -0.043 0.000 1.179 140 Y HN 0.500 nan 8.280 nan 0.000 0.454 141 E N 3.945 123.839 120.200 -0.511 0.000 2.369 141 E HA 0.330 4.680 4.350 0.000 0.000 0.270 141 E C -1.416 174.812 176.600 -0.619 0.000 0.909 141 E CA -1.122 54.949 56.400 -0.549 0.000 0.775 141 E CB 2.796 32.338 29.700 -0.262 0.000 1.270 141 E HN 0.537 nan 8.360 nan 0.000 0.445 152 P HA 0.190 nan 4.420 nan 0.000 0.261 152 P C -0.962 176.241 177.300 -0.162 0.000 1.173 152 P CA 0.313 63.312 63.100 -0.167 0.000 0.760 152 P CB 0.494 32.041 31.700 -0.256 0.000 0.783 153 V N 4.504 124.328 119.914 -0.149 0.000 2.364 153 V HA 0.043 4.163 4.120 0.000 0.000 0.272 153 V C 0.499 176.542 176.094 -0.086 0.000 1.036 153 V CA 0.019 62.282 62.300 -0.062 0.000 0.880 153 V CB 0.397 32.205 31.823 -0.025 0.000 0.991 153 V HN 0.561 nan 8.190 nan 0.000 0.460 154 Y N 2.878 123.190 120.300 0.020 0.000 2.365 154 Y HA 0.103 4.653 4.550 0.000 0.000 0.293 154 Y C 1.485 177.413 175.900 0.047 0.000 1.119 154 Y CA 1.099 59.218 58.100 0.030 0.000 1.203 154 Y CB 0.548 39.027 38.460 0.032 0.000 1.026 154 Y HN 0.581 nan 8.280 nan 0.000 0.549 155 T N -0.156 114.522 114.554 0.207 0.000 3.041 155 T HA 0.315 4.665 4.350 0.000 0.000 0.321 155 T C -0.137 174.655 174.700 0.153 0.000 1.184 155 T CA -0.852 61.352 62.100 0.174 0.000 1.050 155 T CB 0.956 69.937 68.868 0.188 0.000 1.159 155 T HN 0.275 nan 8.240 nan 0.000 0.469 156 R N 2.796 123.398 120.500 0.171 0.000 2.472 156 R HA 0.255 4.595 4.340 0.000 0.000 0.279 156 R C -0.322 176.156 176.300 0.296 0.000 0.953 156 R CA -0.437 55.768 56.100 0.175 0.000 1.088 156 R CB 0.154 30.530 30.300 0.128 0.000 1.197 156 R HN 0.391 nan 8.270 nan 0.000 0.536 157 F N 4.252 124.287 119.950 0.142 0.000 2.313 157 F HA 0.229 4.756 4.527 0.000 0.000 0.369 157 F C 0.296 176.208 175.800 0.186 0.000 1.109 157 F CA -2.136 56.001 58.000 0.230 0.000 1.132 157 F CB 0.917 40.044 39.000 0.211 0.000 1.291 157 F HN 0.125 nan 8.300 nan 0.000 0.496 158 E N 4.710 124.884 120.200 -0.043 0.000 2.511 158 E HA 0.183 4.533 4.350 0.000 0.000 0.214 158 E C -1.075 175.113 176.600 -0.686 0.000 1.062 158 E CA -0.226 55.952 56.400 -0.370 0.000 1.213 158 E CB -0.169 29.346 29.700 -0.307 0.000 1.214 158 E HN 0.314 nan 8.360 nan 0.000 0.441 159 F N 0.581 120.053 119.950 -0.796 0.000 2.541 159 F HA 0.313 4.840 4.527 0.000 0.000 0.331 159 F C 0.835 176.310 175.800 -0.542 0.000 1.057 159 F CA -1.308 56.362 58.000 -0.549 0.000 0.975 159 F CB 1.274 40.126 39.000 -0.247 0.000 1.246 159 F HN -0.241 nan 8.300 nan 0.000 0.484 160 T N 2.517 117.052 114.554 -0.032 0.000 2.831 160 T HA 0.138 4.488 4.350 0.000 0.000 0.291 160 T C 0.501 175.144 174.700 -0.095 0.000 0.981 160 T CA -0.199 61.865 62.100 -0.060 0.000 1.174 160 T CB -0.161 68.700 68.868 -0.011 0.000 0.929 160 T HN 0.367 nan 8.240 nan 0.000 0.532 161 R N 1.601 122.015 120.500 -0.145 0.000 2.738 161 R HA 0.285 4.625 4.340 0.000 0.000 0.275 161 R C 0.895 177.000 176.300 -0.325 0.000 1.121 161 R CA -0.746 55.317 56.100 -0.061 0.000 1.207 161 R CB 0.486 30.847 30.300 0.101 0.000 1.141 161 R HN 0.514 nan 8.270 nan 0.000 0.571 162 R N 1.201 121.663 120.500 -0.063 0.000 2.389 162 R HA 0.074 4.414 4.340 0.000 0.000 0.295 162 R C -0.930 175.394 176.300 0.041 0.000 1.075 162 R CA 0.037 56.114 56.100 -0.038 0.000 1.005 162 R CB 0.362 30.718 30.300 0.092 0.000 0.987 162 R HN 0.640 nan 8.270 nan 0.000 0.452 163 H N 3.354 122.473 119.070 0.081 0.000 2.658 163 H HA 0.343 4.899 4.556 0.000 0.000 0.337 163 H C -0.087 175.252 175.328 0.018 0.000 1.009 163 H CA -1.084 54.989 56.048 0.042 0.000 1.231 163 H CB 1.696 31.480 29.762 0.036 0.000 1.508 163 H HN 0.507 nan 8.280 nan 0.000 0.517 164 V N -0.709 119.265 119.914 0.099 0.000 4.306 164 V HA 0.379 4.499 4.120 0.000 0.000 0.303 164 V C -0.443 175.592 176.094 -0.099 0.000 1.454 164 V CA -1.005 61.280 62.300 -0.025 0.000 0.910 164 V CB 1.108 32.884 31.823 -0.079 0.000 1.241 164 V HN 0.561 nan 8.190 nan 0.000 0.466 165 D N 0.661 120.942 120.400 -0.199 0.000 2.351 165 D HA 0.399 5.039 4.640 0.000 0.000 0.251 165 D C -0.443 175.735 176.300 -0.202 0.000 1.137 165 D CA 0.329 54.173 54.000 -0.260 0.000 0.879 165 D CB 0.866 41.438 40.800 -0.380 0.000 1.181 165 D HN 0.663 nan 8.370 nan 0.000 0.448 166 K N 1.692 121.940 120.400 -0.253 0.000 2.371 166 K HA 0.287 4.607 4.320 0.000 0.000 0.251 166 K C -0.886 175.396 176.600 -0.531 0.000 0.934 166 K CA -0.980 55.167 56.287 -0.233 0.000 0.798 166 K CB 0.857 33.284 32.500 -0.122 0.000 1.204 166 K HN 0.800 nan 8.250 nan 0.000 0.427 167 H N -0.311 118.806 119.070 0.078 0.000 2.672 167 H HA -0.199 4.357 4.556 0.000 0.000 0.325 167 H C -1.633 173.754 175.328 0.097 0.000 1.158 167 H CA 0.768 56.851 56.048 0.058 0.000 1.134 167 H CB -2.425 27.340 29.762 0.003 0.000 1.553 167 H HN 0.534 nan 8.280 nan 0.000 0.419 168 H N 1.837 120.895 119.070 -0.019 0.000 2.691 168 H HA 0.309 4.865 4.556 0.000 0.000 0.281 168 H C -2.195 173.152 175.328 0.032 0.000 1.121 168 H CA -2.103 53.949 56.048 0.006 0.000 1.254 168 H CB 1.081 30.822 29.762 -0.034 0.000 1.390 168 H HN 0.416 nan 8.280 nan 0.000 0.491 169 P HA -0.087 nan 4.420 nan 0.000 0.258 169 P C 0.643 177.977 177.300 0.057 0.000 1.187 169 P CA 0.426 63.542 63.100 0.026 0.000 0.767 169 P CB 0.896 32.584 31.700 -0.021 0.000 0.770 170 L N 2.060 123.324 121.223 0.068 0.000 2.023 170 L HA -0.044 4.296 4.340 0.000 0.000 0.205 170 L C 1.352 178.269 176.870 0.079 0.000 1.073 170 L CA 1.341 56.232 54.840 0.084 0.000 0.745 170 L CB -0.587 41.518 42.059 0.076 0.000 0.900 170 L HN 0.295 nan 8.230 nan 0.000 0.435 171 S N 0.937 116.670 115.700 0.055 0.000 2.422 171 S HA 0.196 4.666 4.470 0.000 0.000 0.298 171 S C -1.462 173.182 174.600 0.073 0.000 1.118 171 S CA -1.113 57.131 58.200 0.073 0.000 1.083 171 S CB 1.370 64.593 63.200 0.039 0.000 0.971 171 S HN 0.074 nan 8.310 nan 0.000 0.478 172 P HA -0.173 nan 4.420 nan 0.000 0.222 172 P C 1.049 178.369 177.300 0.033 0.000 1.142 172 P CA 0.924 64.035 63.100 0.018 0.000 0.788 172 P CB 0.132 31.826 31.700 -0.009 0.000 0.767 173 F N 1.562 121.443 119.950 -0.114 0.000 2.038 173 F HA -0.030 4.497 4.527 0.000 0.000 0.288 173 F C 1.588 177.242 175.800 -0.243 0.000 1.296 173 F CA 0.635 58.533 58.000 -0.171 0.000 1.133 173 F CB -0.988 37.916 39.000 -0.160 0.000 0.969 173 F HN -0.291 nan 8.300 nan 0.000 0.499 174 V N -0.704 119.186 119.914 -0.040 0.000 4.251 174 V HA 0.309 4.429 4.120 0.000 0.000 0.277 174 V C 0.286 176.254 176.094 -0.210 0.000 1.292 174 V CA -1.088 60.979 62.300 -0.388 0.000 0.841 174 V CB 0.224 31.242 31.823 -1.341 0.000 1.273 174 V HN 0.356 nan 8.190 nan 0.000 0.441 175 I N 0.615 121.074 120.570 -0.186 0.000 7.623 175 I HA -0.173 3.997 4.170 0.000 0.000 0.126 175 I C -0.860 175.250 176.117 -0.012 0.000 1.671 175 I CA 0.201 61.472 61.300 -0.048 0.000 2.292 175 I CB -0.859 37.135 38.000 -0.009 0.000 3.366 175 I HN 0.487 nan 8.210 nan 0.000 0.240 176 L N 8.582 129.804 121.223 -0.003 0.000 2.319 176 L HA 0.662 5.002 4.340 0.000 0.000 0.281 176 L C -0.288 176.606 176.870 0.039 0.000 1.005 176 L CA -0.083 54.765 54.840 0.013 0.000 0.828 176 L CB 1.238 43.285 42.059 -0.020 0.000 1.227 176 L HN 0.476 nan 8.230 nan 0.000 0.415 177 D N 3.598 124.035 120.400 0.062 0.000 2.269 177 D HA 0.277 4.917 4.640 0.000 0.000 0.244 177 D C -0.276 176.065 176.300 0.068 0.000 0.992 177 D CA -0.683 53.356 54.000 0.066 0.000 0.894 177 D CB 1.793 42.635 40.800 0.070 0.000 1.248 177 D HN 0.647 nan 8.370 nan 0.000 0.468 178 R N 0.586 121.123 120.500 0.062 0.000 2.609 178 R HA 0.017 4.357 4.340 0.000 0.000 0.326 178 R C -0.217 176.098 176.300 0.026 0.000 1.090 178 R CA -0.212 55.916 56.100 0.046 0.000 1.072 178 R CB -0.267 30.071 30.300 0.062 0.000 1.330 178 R HN 0.516 nan 8.270 nan 0.000 0.572 179 E N 1.137 121.357 120.200 0.032 0.000 2.209 179 E HA -0.254 4.096 4.350 0.000 0.000 0.223 179 E C -0.514 176.114 176.600 0.047 0.000 1.431 179 E CA 0.801 57.226 56.400 0.041 0.000 0.708 179 E CB -0.410 29.273 29.700 -0.029 0.000 1.133 179 E HN 0.395 nan 8.360 nan 0.000 0.358 180 R N 0.145 120.674 120.500 0.048 0.000 2.674 180 R HA 0.202 4.542 4.340 0.000 0.000 0.270 180 R C -0.217 176.136 176.300 0.090 0.000 1.492 180 R CA -0.237 55.895 56.100 0.053 0.000 1.624 180 R CB 0.404 30.706 30.300 0.002 0.000 1.307 180 R HN 0.257 nan 8.270 nan 0.000 0.683 181 C N -0.935 118.411 119.300 0.077 0.000 2.531 181 C HA 0.753 5.213 4.460 0.000 0.000 0.369 181 C C 1.005 176.013 174.990 0.029 0.000 1.258 181 C CA -1.221 57.850 59.018 0.088 0.000 1.876 181 C CB 0.630 28.380 27.740 0.015 0.000 2.256 181 C HN 0.631 nan 8.230 nan 0.000 0.510 182 I N -0.820 119.800 120.570 0.082 0.000 2.834 182 I HA 0.461 4.631 4.170 0.000 0.000 0.305 182 I C -0.555 175.575 176.117 0.021 0.000 1.008 182 I CA -0.348 61.049 61.300 0.161 0.000 1.273 182 I CB 0.428 38.573 38.000 0.242 0.000 1.432 182 I HN 0.671 nan 8.210 nan 0.000 0.557 183 H N 3.154 122.290 119.070 0.111 0.000 2.638 183 H HA 0.342 4.898 4.556 0.000 0.000 0.242 183 H C 0.255 175.644 175.328 0.103 0.000 1.610 183 H CA -0.792 55.299 56.048 0.071 0.000 1.275 183 H CB 0.212 29.897 29.762 -0.128 0.000 1.583 183 H HN 0.844 nan 8.280 nan 0.000 0.556 184 C N 0.761 120.203 119.300 0.237 0.000 2.551 184 C HA 0.489 4.949 4.460 0.000 0.000 0.377 184 C C 1.324 176.495 174.990 0.302 0.000 1.622 184 C CA -0.632 58.517 59.018 0.218 0.000 1.980 184 C CB 1.352 29.183 27.740 0.152 0.000 1.946 184 C HN 0.791 nan 8.230 nan 0.000 0.525 185 K N -1.204 119.346 120.400 0.250 0.000 2.477 185 K HA 0.220 4.540 4.320 0.000 0.000 0.208 185 K C 2.188 178.884 176.600 0.159 0.000 1.117 185 K CA -0.261 56.201 56.287 0.291 0.000 1.039 185 K CB 0.038 32.718 32.500 0.299 0.000 0.937 185 K HN 0.635 nan 8.250 nan 0.000 0.570 186 R N 0.318 120.895 120.500 0.128 0.000 2.224 186 R HA -0.338 4.002 4.340 0.000 0.000 0.255 186 R C 2.467 178.812 176.300 0.074 0.000 1.130 186 R CA 2.493 58.651 56.100 0.096 0.000 0.957 186 R CB -1.311 29.021 30.300 0.053 0.000 0.907 186 R HN 0.477 nan 8.270 nan 0.000 0.446 187 C N -0.408 118.907 119.300 0.024 0.000 2.489 187 C HA 0.029 4.489 4.460 0.000 0.000 0.279 187 C C 2.775 177.786 174.990 0.034 0.000 1.266 187 C CA 0.409 59.401 59.018 -0.042 0.000 1.707 187 C CB -1.330 26.369 27.740 -0.070 0.000 2.059 187 C HN 0.455 nan 8.230 nan 0.000 0.481 188 V N 1.409 121.338 119.914 0.025 0.000 2.427 188 V HA -0.141 3.979 4.120 0.000 0.000 0.248 188 V C 2.844 178.996 176.094 0.098 0.000 1.051 188 V CA 2.375 64.712 62.300 0.062 0.000 1.048 188 V CB -1.219 30.497 31.823 -0.178 0.000 0.666 188 V HN 0.630 nan 8.190 nan 0.000 0.456 189 R N -0.347 120.200 120.500 0.079 0.000 2.080 189 R HA -0.230 4.110 4.340 0.000 0.000 0.236 189 R C 2.332 178.683 176.300 0.084 0.000 1.137 189 R CA 2.332 58.484 56.100 0.088 0.000 0.943 189 R CB -1.048 29.319 30.300 0.111 0.000 0.846 189 R HN 0.695 nan 8.270 nan 0.000 0.431 190 Y N 0.443 120.714 120.300 -0.048 0.000 2.014 190 Y HA -0.335 4.215 4.550 0.000 0.000 0.272 190 Y C 1.790 177.617 175.900 -0.122 0.000 1.164 190 Y CA 2.197 60.209 58.100 -0.147 0.000 1.114 190 Y CB -0.896 37.386 38.460 -0.296 0.000 0.961 190 Y HN 0.088 nan 8.280 nan 0.000 0.489 191 F N 0.988 120.837 119.950 -0.167 0.000 2.063 191 F HA -0.288 4.239 4.527 0.000 0.000 0.298 191 F C 2.594 178.242 175.800 -0.254 0.000 1.105 191 F CA 2.246 60.087 58.000 -0.265 0.000 1.215 191 F CB -1.305 37.680 39.000 -0.025 0.000 0.972 191 F HN 0.438 nan 8.300 nan 0.000 0.483 192 E N -0.134 120.104 120.200 0.063 0.000 2.347 192 E HA -0.145 4.205 4.350 0.000 0.000 0.196 192 E C 1.595 178.160 176.600 -0.059 0.000 1.008 192 E CA 1.568 57.972 56.400 0.006 0.000 0.852 192 E CB -0.381 29.327 29.700 0.012 0.000 0.783 192 E HN 0.544 nan 8.360 nan 0.000 0.505 193 E N -0.430 119.696 120.200 -0.125 0.000 2.132 193 E HA 0.045 4.395 4.350 0.000 0.000 0.193 193 E C 1.804 178.273 176.600 -0.218 0.000 0.951 193 E CA 0.763 57.076 56.400 -0.145 0.000 0.843 193 E CB 0.434 30.086 29.700 -0.080 0.000 0.807 193 E HN 0.144 nan 8.360 nan 0.000 0.467 194 V N 1.869 121.514 119.914 -0.448 0.000 2.339 194 V HA -0.056 4.064 4.120 0.000 0.000 0.234 194 V C -0.994 174.857 176.094 -0.405 0.000 1.053 194 V CA 1.136 63.119 62.300 -0.529 0.000 1.042 194 V CB -1.336 29.877 31.823 -1.018 0.000 0.678 194 V HN 0.183 nan 8.190 nan 0.000 0.475 195 P HA -0.008 nan 4.420 nan 0.000 0.217 195 P C 1.195 178.547 177.300 0.086 0.000 1.151 195 P CA 2.018 64.898 63.100 -0.367 0.000 0.828 195 P CB 0.012 31.566 31.700 -0.243 0.000 0.788 196 G N -0.003 108.858 108.800 0.101 0.000 2.132 196 G HA2 -0.130 3.830 3.960 0.000 0.000 0.234 196 G HA3 -0.130 3.830 3.960 0.000 0.000 0.234 196 G C -0.449 174.559 174.900 0.179 0.000 0.989 196 G CA -0.143 45.124 45.100 0.280 0.000 0.676 196 G HN 0.344 nan 8.290 nan 0.000 0.522 197 D N 1.306 121.750 120.400 0.073 0.000 2.460 197 D HA 0.339 4.979 4.640 0.000 0.000 0.268 197 D C 0.104 176.294 176.300 -0.184 0.000 1.153 197 D CA -0.340 53.646 54.000 -0.024 0.000 0.929 197 D CB 0.641 41.425 40.800 -0.027 0.000 1.015 197 D HN 0.482 nan 8.370 nan 0.000 0.502 198 E N 0.558 120.688 120.200 -0.117 0.000 2.168 198 E HA 0.071 4.421 4.350 0.000 0.000 0.254 198 E C 1.088 177.518 176.600 -0.284 0.000 1.228 198 E CA -0.025 56.280 56.400 -0.159 0.000 0.956 198 E CB 0.449 30.111 29.700 -0.063 0.000 1.031 198 E HN 0.226 nan 8.360 nan 0.000 0.441 199 V N 1.116 120.698 119.914 -0.554 0.000 2.991 199 V HA 0.451 4.571 4.120 0.000 0.000 0.355 199 V C -0.395 175.484 176.094 -0.358 0.000 1.384 199 V CA -0.621 61.384 62.300 -0.491 0.000 1.171 199 V CB -0.215 31.244 31.823 -0.607 0.000 1.190 199 V HN 0.339 nan 8.190 nan 0.000 0.540 200 L N 0.588 121.691 121.223 -0.201 0.000 2.592 200 L HA 0.865 5.205 4.340 0.000 0.000 0.258 200 L C -1.409 175.400 176.870 -0.101 0.000 0.926 200 L CA 0.282 55.086 54.840 -0.060 0.000 0.885 200 L CB 2.207 44.365 42.059 0.165 0.000 1.380 200 L HN 0.347 nan 8.230 nan 0.000 0.415 201 D N 0.850 121.148 120.400 -0.169 0.000 2.713 201 D HA 0.406 5.046 4.640 0.000 0.000 0.306 201 D C -1.299 174.813 176.300 -0.314 0.000 1.299 201 D CA -0.245 53.583 54.000 -0.288 0.000 0.823 201 D CB 1.509 42.223 40.800 -0.143 0.000 1.353 201 D HN 0.093 nan 8.370 nan 0.000 0.447 202 F N 0.519 120.466 119.950 -0.004 0.000 2.378 202 F HA 0.477 5.004 4.527 0.000 0.000 0.319 202 F C 0.611 176.310 175.800 -0.168 0.000 1.155 202 F CA -0.367 57.602 58.000 -0.051 0.000 1.157 202 F CB 0.604 39.600 39.000 -0.007 0.000 1.252 202 F HN 0.058 nan 8.300 nan 0.000 0.550 203 I N 0.781 121.254 120.570 -0.162 0.000 2.533 203 I HA 0.336 4.506 4.170 0.000 0.000 0.290 203 I C -0.195 175.651 176.117 -0.451 0.000 1.056 203 I CA -1.038 60.014 61.300 -0.414 0.000 1.057 203 I CB 0.943 38.476 38.000 -0.778 0.000 1.240 203 I HN 0.757 nan 8.210 nan 0.000 0.423 204 E N 3.592 123.664 120.200 -0.213 0.000 8.435 204 E HA -0.187 4.163 4.350 0.000 0.000 0.217 204 E C -0.492 176.069 176.600 -0.065 0.000 1.449 204 E CA 0.280 56.614 56.400 -0.111 0.000 2.520 204 E CB 0.003 29.649 29.700 -0.091 0.000 1.364 204 E HN 0.834 nan 8.360 nan 0.000 0.460 205 R N -0.524 119.969 120.500 -0.012 0.000 2.795 205 R HA 0.756 5.096 4.340 0.000 0.000 0.268 205 R C 0.399 176.694 176.300 -0.009 0.000 1.041 205 R CA -0.464 55.618 56.100 -0.031 0.000 0.927 205 R CB 1.472 31.749 30.300 -0.037 0.000 1.235 205 R HN 1.215 nan 8.270 nan 0.000 0.463 206 G N -0.153 108.590 108.800 -0.095 0.000 2.584 206 G HA2 -0.282 3.678 3.960 0.000 0.000 0.229 206 G HA3 -0.282 3.678 3.960 0.000 0.000 0.229 206 G C 0.554 175.312 174.900 -0.236 0.000 1.320 206 G CA -0.008 45.008 45.100 -0.139 0.000 0.891 206 G HN 1.306 nan 8.290 nan 0.000 0.573 207 V N -1.562 118.141 119.914 -0.350 0.000 3.488 207 V HA 0.088 4.208 4.120 0.000 0.000 0.273 207 V C 1.656 177.496 176.094 -0.424 0.000 1.209 207 V CA 2.313 64.358 62.300 -0.425 0.000 1.179 207 V CB -0.979 30.565 31.823 -0.465 0.000 0.842 207 V HN 0.728 nan 8.190 nan 0.000 0.515 208 H N 0.200 119.269 119.070 -0.000 0.000 2.855 208 H HA 0.163 4.719 4.556 0.000 0.000 0.259 208 H C 1.536 176.969 175.328 0.175 0.000 0.972 208 H CA 0.695 56.810 56.048 0.111 0.000 1.213 208 H CB 0.207 30.027 29.762 0.096 0.000 1.451 208 H HN 0.636 nan 8.280 nan 0.000 0.484 209 T N 1.232 115.854 114.554 0.113 0.000 2.867 209 T HA 0.107 4.457 4.350 0.000 0.000 0.290 209 T C 0.112 174.993 174.700 0.302 0.000 1.025 209 T CA 0.018 62.145 62.100 0.044 0.000 1.146 209 T CB -0.372 68.424 68.868 -0.120 0.000 1.024 209 T HN 0.227 nan 8.240 nan 0.000 0.519 210 F N 1.211 121.338 119.950 0.294 0.000 2.824 210 F HA 0.721 5.248 4.527 0.000 0.000 0.330 210 F C 0.394 176.394 175.800 0.333 0.000 1.175 210 F CA -1.916 56.264 58.000 0.301 0.000 0.974 210 F CB 0.290 39.405 39.000 0.192 0.000 1.430 210 F HN 0.333 nan 8.300 nan 0.000 0.507 211 I N 1.553 122.482 120.570 0.599 0.000 3.428 211 I HA 0.277 4.447 4.170 0.000 0.000 0.286 211 I C 1.599 177.860 176.117 0.239 0.000 1.287 211 I CA 0.310 61.808 61.300 0.329 0.000 1.396 211 I CB -1.088 37.037 38.000 0.209 0.000 1.062 211 I HN 0.876 nan 8.210 nan 0.000 0.471 212 G N 0.335 109.387 108.800 0.420 0.000 4.033 212 G HA2 -0.055 3.905 3.960 0.000 0.000 0.339 212 G HA3 -0.055 3.905 3.960 0.000 0.000 0.339 212 G C 0.213 175.139 174.900 0.043 0.000 1.323 212 G CA 0.696 45.947 45.100 0.251 0.000 0.920 212 G HN 0.389 nan 8.290 nan 0.000 0.641 213 T N -1.991 112.534 114.554 -0.048 0.000 2.645 213 T HA 0.605 4.955 4.350 0.000 0.000 0.300 213 T C 0.305 174.768 174.700 -0.395 0.000 1.210 213 T CA -0.537 61.433 62.100 -0.217 0.000 1.034 213 T CB 1.329 70.029 68.868 -0.280 0.000 1.537 213 T HN 0.406 nan 8.240 nan 0.000 0.492 214 M N 0.761 120.019 119.600 -0.570 0.000 2.309 214 M HA 0.239 4.719 4.480 0.000 0.000 0.438 214 M C -1.166 174.776 176.300 -0.596 0.000 1.004 214 M CA 0.183 55.097 55.300 -0.642 0.000 1.024 214 M CB 0.348 32.842 32.600 -0.177 0.000 2.095 214 M HN 0.502 nan 8.290 nan 0.000 0.701 215 D N 0.337 120.418 120.400 -0.532 0.000 2.863 215 D HA 0.304 4.944 4.640 0.000 0.000 0.323 215 D C 0.826 176.996 176.300 -0.216 0.000 1.286 215 D CA -0.247 53.619 54.000 -0.223 0.000 0.921 215 D CB 0.022 40.722 40.800 -0.167 0.000 1.024 215 D HN -0.049 nan 8.370 nan 0.000 0.505 216 F N 0.804 120.749 119.950 -0.009 0.000 2.101 216 F HA -0.239 4.288 4.527 0.000 0.000 0.298 216 F C 2.572 178.377 175.800 0.008 0.000 1.076 216 F CA 1.544 59.547 58.000 0.004 0.000 1.248 216 F CB -0.622 38.382 39.000 0.006 0.000 0.999 216 F HN 0.386 nan 8.300 nan 0.000 0.488 217 G N -0.388 108.508 108.800 0.159 0.000 2.920 217 G HA2 0.187 4.147 3.960 0.000 0.000 0.208 217 G HA3 0.187 4.147 3.960 0.000 0.000 0.208 217 G C 0.539 175.483 174.900 0.075 0.000 1.159 217 G CA -0.098 45.067 45.100 0.108 0.000 0.784 217 G HN 0.334 nan 8.290 nan 0.000 0.535 218 L N -1.002 120.236 121.223 0.024 0.000 3.632 218 L HA -0.147 4.193 4.340 0.000 0.000 0.510 218 L C -0.917 175.971 176.870 0.031 0.000 1.299 218 L CA -0.002 54.839 54.840 0.002 0.000 0.829 218 L CB -1.501 40.603 42.059 0.075 0.000 1.559 218 L HN 0.210 nan 8.230 nan 0.000 0.857 219 P HA -0.227 nan 4.420 nan 0.000 0.221 219 P C 1.112 178.446 177.300 0.057 0.000 1.160 219 P CA 2.180 65.297 63.100 0.028 0.000 0.933 219 P CB 0.079 31.775 31.700 -0.006 0.000 0.793 220 S N -0.914 114.815 115.700 0.047 0.000 2.569 220 S HA 0.302 4.772 4.470 0.000 0.000 0.274 220 S C 0.875 175.532 174.600 0.094 0.000 1.353 220 S CA -0.240 58.021 58.200 0.101 0.000 1.023 220 S CB 0.167 63.459 63.200 0.153 0.000 0.876 220 S HN 0.263 nan 8.310 nan 0.000 0.540 221 G N -0.205 108.580 108.800 -0.025 0.000 2.508 221 G HA2 0.466 4.426 3.960 0.000 0.000 0.278 221 G HA3 0.466 4.426 3.960 0.000 0.000 0.278 221 G C -0.330 174.435 174.900 -0.224 0.000 1.389 221 G CA -0.777 44.118 45.100 -0.342 0.000 1.050 221 G HN 1.011 nan 8.290 nan 0.000 0.522 222 F N -1.178 118.771 119.950 -0.002 0.000 3.069 222 F HA -0.270 4.257 4.527 0.000 0.000 0.285 222 F C 2.147 178.045 175.800 0.163 0.000 0.827 222 F CA 0.819 58.838 58.000 0.032 0.000 1.108 222 F CB -2.245 36.728 39.000 -0.044 0.000 1.252 222 F HN 0.424 nan 8.300 nan 0.000 0.483 223 S N -0.909 114.962 115.700 0.284 0.000 2.458 223 S HA 0.183 4.653 4.470 0.000 0.000 0.223 223 S C 2.319 177.015 174.600 0.161 0.000 1.019 223 S CA 0.501 58.907 58.200 0.342 0.000 0.937 223 S CB -0.433 62.977 63.200 0.350 0.000 0.788 223 S HN 0.567 nan 8.310 nan 0.000 0.511 224 G N 3.146 112.057 108.800 0.184 0.000 2.469 224 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 224 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 224 G C 1.461 176.350 174.900 -0.019 0.000 1.150 224 G CA 1.060 46.263 45.100 0.172 0.000 0.763 224 G HN 0.548 nan 8.290 nan 0.000 0.561 225 N N 1.292 119.927 118.700 -0.108 0.000 2.133 225 N HA -0.194 4.546 4.740 0.000 0.000 0.193 225 N C 2.345 177.628 175.510 -0.379 0.000 1.012 225 N CA 1.711 54.638 53.050 -0.204 0.000 0.871 225 N CB -0.431 37.891 38.487 -0.275 0.000 1.011 225 N HN 0.679 nan 8.380 nan 0.000 0.435 226 I N -1.189 119.059 120.570 -0.536 0.000 2.423 226 I HA -0.179 3.991 4.170 0.000 0.000 0.254 226 I C 1.802 177.809 176.117 -0.185 0.000 1.151 226 I CA 1.222 62.255 61.300 -0.445 0.000 1.421 226 I CB -0.920 36.836 38.000 -0.407 0.000 1.079 226 I HN -0.108 nan 8.210 nan 0.000 0.431 227 T N 1.295 115.795 114.554 -0.090 0.000 2.737 227 T HA -0.149 4.201 4.350 0.000 0.000 0.265 227 T C 1.422 176.104 174.700 -0.030 0.000 1.038 227 T CA 2.099 64.191 62.100 -0.014 0.000 1.144 227 T CB -0.349 68.561 68.868 0.071 0.000 0.866 227 T HN 0.417 nan 8.240 nan 0.000 0.434 228 D N 0.591 120.966 120.400 -0.043 0.000 2.219 228 D HA 0.030 4.670 4.640 0.000 0.000 0.205 228 D C 1.892 178.160 176.300 -0.053 0.000 0.970 228 D CA 0.629 54.605 54.000 -0.040 0.000 0.851 228 D CB -0.165 40.615 40.800 -0.034 0.000 0.943 228 D HN 0.428 nan 8.370 nan 0.000 0.488 229 I N -0.436 120.091 120.570 -0.072 0.000 2.494 229 I HA -0.045 4.125 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 -0.096 61.167 61.300 -0.062 0.000 1.438 229 I CB -0.145 37.823 38.000 -0.053 0.000 1.111 229 I HN -0.037 nan 8.210 nan 0.000 0.431 230 C N 5.956 125.214 119.300 -0.071 0.000 2.447 230 C HA 0.004 4.464 4.460 0.000 0.000 0.402 230 C C -0.379 174.568 174.990 -0.070 0.000 1.473 230 C CA -1.188 57.797 59.018 -0.055 0.000 1.402 230 C CB -0.611 27.111 27.740 -0.031 0.000 2.435 230 C HN 0.287 nan 8.230 nan 0.000 0.626 231 P HA -0.022 nan 4.420 nan 0.000 0.250 231 P C 0.239 177.446 177.300 -0.155 0.000 1.239 231 P CA 1.124 64.105 63.100 -0.199 0.000 0.756 231 P CB -0.206 31.266 31.700 -0.380 0.000 1.013 232 V N -3.035 116.843 119.914 -0.060 0.000 3.189 232 V HA 0.580 4.700 4.120 0.000 0.000 0.312 232 V C 1.849 177.977 176.094 0.057 0.000 1.452 232 V CA -0.180 62.128 62.300 0.013 0.000 1.006 232 V CB 0.184 32.042 31.823 0.058 0.000 1.083 232 V HN -0.111 nan 8.190 nan 0.000 0.481 233 G N -0.787 108.079 108.800 0.110 0.000 2.539 233 G HA2 0.369 4.329 3.960 0.000 0.000 0.215 233 G HA3 0.369 4.329 3.960 0.000 0.000 0.215 233 G C 0.688 175.639 174.900 0.086 0.000 1.141 233 G CA 0.801 45.964 45.100 0.106 0.000 0.806 233 G HN 1.138 nan 8.290 nan 0.000 0.533 234 A N -0.116 122.754 122.820 0.082 0.000 2.346 234 A HA 0.543 4.863 4.320 0.000 0.000 0.255 234 A C 0.849 178.466 177.584 0.054 0.000 1.113 234 A CA -0.285 51.793 52.037 0.068 0.000 0.798 234 A CB 0.035 19.076 19.000 0.067 0.000 1.073 234 A HN 0.728 nan 8.150 nan 0.000 0.502 235 L N -0.942 120.311 121.223 0.050 0.000 3.671 235 L HA -0.155 4.185 4.340 0.000 0.000 0.609 235 L C -0.728 176.162 176.870 0.033 0.000 1.251 235 L CA 0.499 55.361 54.840 0.036 0.000 0.934 235 L CB -2.015 40.056 42.059 0.019 0.000 1.496 235 L HN 0.609 nan 8.230 nan 0.000 0.854 236 L N 0.552 121.796 121.223 0.036 0.000 2.342 236 L HA 0.444 4.784 4.340 0.000 0.000 0.271 236 L C 0.745 177.639 176.870 0.040 0.000 1.008 236 L CA -0.730 54.134 54.840 0.040 0.000 0.818 236 L CB 2.022 44.104 42.059 0.038 0.000 1.296 236 L HN 0.156 nan 8.230 nan 0.000 0.427 237 D N 2.453 122.898 120.400 0.074 0.000 2.348 237 D HA -0.016 4.624 4.640 0.000 0.000 0.259 237 D C 0.621 176.957 176.300 0.061 0.000 1.296 237 D CA -0.095 53.978 54.000 0.121 0.000 0.931 237 D CB 1.172 42.098 40.800 0.209 0.000 1.067 237 D HN 0.350 nan 8.370 nan 0.000 0.503 238 L N 4.249 125.467 121.223 -0.009 0.000 2.291 238 L HA -0.049 4.291 4.340 0.000 0.000 0.214 238 L C 2.084 178.966 176.870 0.021 0.000 1.120 238 L CA 1.385 56.208 54.840 -0.029 0.000 0.799 238 L CB -0.781 41.243 42.059 -0.059 0.000 0.925 238 L HN 0.423 nan 8.230 nan 0.000 0.446 239 T N -0.566 114.031 114.554 0.072 0.000 2.869 239 T HA -0.089 4.261 4.350 0.000 0.000 0.270 239 T C 1.023 175.848 174.700 0.209 0.000 1.082 239 T CA 1.254 63.469 62.100 0.192 0.000 1.123 239 T CB -0.210 68.905 68.868 0.411 0.000 0.856 239 T HN 0.524 nan 8.240 nan 0.000 0.499 240 A N 0.967 123.878 122.820 0.152 0.000 2.843 240 A HA 0.422 4.742 4.320 0.000 0.000 0.248 240 A C 0.351 177.974 177.584 0.065 0.000 0.904 240 A CA -0.688 51.414 52.037 0.110 0.000 1.091 240 A CB 0.093 19.154 19.000 0.101 0.000 1.208 240 A HN 0.540 nan 8.150 nan 0.000 0.476 241 R N -0.587 119.925 120.500 0.019 0.000 2.539 241 R HA 0.410 4.750 4.340 0.000 0.000 0.275 241 R C -0.676 175.677 176.300 0.089 0.000 1.077 241 R CA -0.287 55.795 56.100 -0.030 0.000 1.097 241 R CB -0.033 30.119 30.300 -0.246 0.000 1.018 241 R HN 0.267 nan 8.270 nan 0.000 0.483 242 F N 1.475 121.410 119.950 -0.025 0.000 2.635 242 F HA -0.246 4.281 4.527 0.000 0.000 0.228 242 F C 0.474 176.249 175.800 -0.042 0.000 1.029 242 F CA 0.549 58.526 58.000 -0.038 0.000 0.907 242 F CB -1.070 37.909 39.000 -0.036 0.000 0.893 242 F HN 0.822 nan 8.300 nan 0.000 0.845 243 R N -0.293 120.278 120.500 0.119 0.000 2.197 243 R HA 0.703 5.043 4.340 0.000 0.000 0.188 243 R C 0.710 176.993 176.300 -0.028 0.000 1.015 243 R CA 0.918 57.040 56.100 0.036 0.000 1.132 243 R CB 0.582 30.892 30.300 0.018 0.000 1.134 243 R HN 0.309 nan 8.270 nan 0.000 0.560 244 A N 0.963 123.741 122.820 -0.069 0.000 2.610 244 A HA 0.626 4.946 4.320 0.000 0.000 0.291 244 A C -1.268 176.170 177.584 -0.244 0.000 1.086 244 A CA -0.815 51.130 52.037 -0.154 0.000 0.677 244 A CB 1.410 20.319 19.000 -0.151 0.000 1.278 244 A HN -0.066 nan 8.150 nan 0.000 0.414 245 R N 1.312 121.551 120.500 -0.436 0.000 2.441 245 R HA 0.271 4.611 4.340 0.000 0.000 0.284 245 R C 0.978 176.820 176.300 -0.762 0.000 1.070 245 R CA -0.724 54.950 56.100 -0.711 0.000 1.047 245 R CB 0.374 29.924 30.300 -1.250 0.000 1.016 245 R HN 0.825 nan 8.270 nan 0.000 0.477 246 N N 1.772 120.160 118.700 -0.519 0.000 2.111 246 N HA -0.256 4.484 4.740 0.000 0.000 0.197 246 N C 1.645 177.067 175.510 -0.147 0.000 1.011 246 N CA 2.360 55.267 53.050 -0.238 0.000 0.880 246 N CB -0.221 38.243 38.487 -0.039 0.000 1.031 246 N HN 0.705 nan 8.380 nan 0.000 0.444 247 W N 1.571 122.873 121.300 0.004 0.000 2.453 247 W HA 0.135 4.795 4.660 0.000 0.000 0.289 247 W C 1.803 178.320 176.519 -0.003 0.000 1.215 247 W CA 0.192 57.538 57.345 0.001 0.000 1.297 247 W CB -0.814 28.648 29.460 0.002 0.000 1.113 247 W HN -0.061 nan 8.180 nan 0.000 0.551 248 E N 0.877 120.817 120.200 -0.433 0.000 2.171 248 E HA -0.176 4.174 4.350 0.000 0.000 0.197 248 E C 1.286 177.831 176.600 -0.092 0.000 0.997 248 E CA 0.910 57.199 56.400 -0.185 0.000 0.810 248 E CB -0.412 29.089 29.700 -0.332 0.000 0.738 248 E HN 0.231 nan 8.360 nan 0.000 0.467 249 M N 1.013 120.539 119.600 -0.123 0.000 2.252 249 M HA 0.005 4.485 4.480 0.000 0.000 0.329 249 M C 0.418 176.701 176.300 -0.027 0.000 1.101 249 M CA 0.751 56.005 55.300 -0.077 0.000 1.117 249 M CB 0.206 32.757 32.600 -0.082 0.000 1.563 249 M HN -0.057 nan 8.290 nan 0.000 0.445 250 E N 2.258 122.439 120.200 -0.031 0.000 2.070 250 E HA 0.188 4.538 4.350 0.000 0.000 0.261 250 E C -0.930 175.659 176.600 -0.019 0.000 0.926 250 E CA -0.214 56.178 56.400 -0.014 0.000 0.760 250 E CB 0.605 30.296 29.700 -0.016 0.000 1.133 250 E HN 0.509 nan 8.360 nan 0.000 0.420 251 E N 2.694 122.891 120.200 -0.005 0.000 2.351 251 E HA 0.079 4.429 4.350 0.000 0.000 0.266 251 E C -0.801 175.800 176.600 0.001 0.000 1.031 251 E CA 0.401 56.798 56.400 -0.005 0.000 0.911 251 E CB 0.946 30.650 29.700 0.007 0.000 0.986 251 E HN 0.308 nan 8.360 nan 0.000 0.446 252 T N 4.908 119.461 114.554 -0.001 0.000 2.963 252 T HA 0.274 4.624 4.350 0.000 0.000 0.328 252 T C -2.434 172.284 174.700 0.030 0.000 1.048 252 T CA -1.579 60.529 62.100 0.013 0.000 1.033 252 T CB 1.116 69.989 68.868 0.008 0.000 1.010 252 T HN 0.290 nan 8.240 nan 0.000 0.469 253 P HA 0.455 nan 4.420 nan 0.000 0.281 253 P C -0.356 176.980 177.300 0.060 0.000 1.252 253 P CA 0.067 63.193 63.100 0.043 0.000 0.778 253 P CB 1.698 33.416 31.700 0.030 0.000 0.895 254 T N 1.014 115.617 114.554 0.082 0.000 2.647 254 T HA 0.384 4.734 4.350 0.000 0.000 0.302 254 T C -1.211 173.543 174.700 0.090 0.000 1.389 254 T CA -0.200 61.956 62.100 0.094 0.000 1.037 254 T CB 0.725 69.674 68.868 0.136 0.000 1.755 254 T HN 0.268 nan 8.240 nan 0.000 0.467 255 T N 1.281 115.884 114.554 0.082 0.000 2.807 255 T HA 0.463 4.813 4.350 0.000 0.000 0.279 255 T C -0.192 174.499 174.700 -0.016 0.000 0.993 255 T CA -0.344 61.771 62.100 0.026 0.000 0.970 255 T CB 0.605 69.458 68.868 -0.026 0.000 0.950 255 T HN 0.821 nan 8.240 nan 0.000 0.441 256 C N 3.821 123.110 119.300 -0.019 0.000 2.648 256 C HA 0.629 5.089 4.460 0.000 0.000 0.415 256 C C 1.111 175.814 174.990 -0.478 0.000 1.366 256 C CA -0.353 58.592 59.018 -0.121 0.000 1.756 256 C CB -1.634 26.130 27.740 0.039 0.000 2.549 256 C HN 0.944 nan 8.230 nan 0.000 0.597 257 A N 6.236 128.305 122.820 -1.252 0.000 3.154 257 A HA 0.416 4.736 4.320 0.000 0.000 0.310 257 A C 0.731 177.911 177.584 -0.673 0.000 1.093 257 A CA -0.278 51.180 52.037 -0.964 0.000 1.006 257 A CB -0.209 18.179 19.000 -1.020 0.000 1.084 257 A HN 0.966 nan 8.150 nan 0.000 0.549 258 L N -0.356 120.680 121.223 -0.311 0.000 2.513 258 L HA 0.148 4.489 4.340 0.000 0.000 0.222 258 L C 0.927 177.810 176.870 0.022 0.000 1.096 258 L CA 0.567 55.414 54.840 0.011 0.000 0.857 258 L CB 0.457 42.563 42.059 0.078 0.000 1.026 258 L HN 0.833 nan 8.230 nan 0.000 0.469 259 C N -4.757 114.518 119.300 -0.042 0.000 3.336 259 C HA 0.438 4.898 4.460 0.000 0.000 0.339 259 C C -1.825 173.139 174.990 -0.043 0.000 1.468 259 C CA -1.236 57.764 59.018 -0.030 0.000 1.287 259 C CB 0.901 28.616 27.740 -0.041 0.000 1.682 259 C HN -0.130 nan 8.230 nan 0.000 0.451 260 P HA -0.096 nan 4.420 nan 0.000 0.216 260 P C 1.789 179.069 177.300 -0.033 0.000 1.150 260 P CA 2.609 65.691 63.100 -0.029 0.000 0.837 260 P CB -0.075 31.614 31.700 -0.018 0.000 0.786 261 V N -3.228 116.671 119.914 -0.024 0.000 2.720 261 V HA 0.004 4.124 4.120 0.000 0.000 0.256 261 V C 1.359 177.436 176.094 -0.027 0.000 1.082 261 V CA 0.988 63.279 62.300 -0.015 0.000 1.101 261 V CB -2.181 29.647 31.823 0.009 0.000 0.693 261 V HN 0.273 nan 8.190 nan 0.000 0.479 262 G N 0.346 109.113 108.800 -0.055 0.000 2.306 262 G HA2 -0.263 3.697 3.960 0.000 0.000 0.274 262 G HA3 -0.263 3.697 3.960 0.000 0.000 0.274 262 G C 0.285 175.161 174.900 -0.040 0.000 0.890 262 G CA 0.347 45.403 45.100 -0.072 0.000 1.298 262 G HN 0.808 nan 8.290 nan 0.000 0.445 263 C N -0.115 119.172 119.300 -0.022 0.000 2.946 263 C HA 0.626 5.086 4.460 0.000 0.000 0.257 263 C C 1.672 176.660 174.990 -0.004 0.000 1.644 263 C CA 0.454 59.471 59.018 -0.001 0.000 1.918 263 C CB 0.119 27.872 27.740 0.021 0.000 2.002 263 C HN 1.212 nan 8.230 nan 0.000 0.635 264 G N -0.053 108.748 108.800 0.000 0.000 2.544 264 G HA2 0.702 4.662 3.960 0.000 0.000 0.313 264 G HA3 0.702 4.662 3.960 0.000 0.000 0.313 264 G C -0.928 173.982 174.900 0.018 0.000 1.316 264 G CA -0.338 44.764 45.100 0.004 0.000 0.944 264 G HN 0.847 nan 8.290 nan 0.000 0.489 265 I N -1.142 119.456 120.570 0.046 0.000 3.343 265 I HA 0.891 5.061 4.170 0.000 0.000 0.315 265 I C -0.768 175.384 176.117 0.058 0.000 1.153 265 I CA -1.177 60.158 61.300 0.060 0.000 0.952 265 I CB 2.516 40.587 38.000 0.118 0.000 1.287 265 I HN 0.321 nan 8.210 nan 0.000 0.472 266 T N 1.584 116.164 114.554 0.044 0.000 2.928 266 T HA 0.722 5.072 4.350 0.000 0.000 0.296 266 T C -0.671 174.033 174.700 0.007 0.000 1.000 266 T CA -0.496 61.620 62.100 0.026 0.000 0.989 266 T CB 1.625 70.496 68.868 0.005 0.000 1.005 266 T HN 0.866 nan 8.240 nan 0.000 0.442 267 A N 2.759 125.576 122.820 -0.005 0.000 2.256 267 A HA 0.614 4.934 4.320 0.000 0.000 0.317 267 A C -0.481 177.043 177.584 -0.100 0.000 1.318 267 A CA -0.813 51.176 52.037 -0.080 0.000 0.894 267 A CB 0.209 19.153 19.000 -0.094 0.000 1.165 267 A HN 0.723 nan 8.150 nan 0.000 0.525 268 D N 2.888 123.213 120.400 -0.124 0.000 2.343 268 D HA 0.420 5.060 4.640 0.000 0.000 0.255 268 D C 0.272 176.491 176.300 -0.135 0.000 1.187 268 D CA 0.767 54.703 54.000 -0.107 0.000 0.875 268 D CB 1.197 41.939 40.800 -0.097 0.000 1.136 268 D HN 0.583 nan 8.370 nan 0.000 0.469 269 T N -0.123 114.370 114.554 -0.103 0.000 2.909 269 T HA 0.706 5.056 4.350 0.000 0.000 0.299 269 T C -0.313 174.343 174.700 -0.073 0.000 1.073 269 T CA -1.161 60.878 62.100 -0.102 0.000 0.999 269 T CB 2.480 71.289 68.868 -0.098 0.000 1.098 269 T HN 0.352 nan 8.240 nan 0.000 0.477 270 R N 1.170 121.629 120.500 -0.069 0.000 2.508 270 R HA 0.505 4.845 4.340 0.000 0.000 0.283 270 R C -0.772 175.503 176.300 -0.043 0.000 1.120 270 R CA -0.323 55.745 56.100 -0.052 0.000 0.958 270 R CB 1.092 31.355 30.300 -0.060 0.000 1.215 270 R HN 0.904 nan 8.270 nan 0.000 0.427 271 S N 2.553 118.234 115.700 -0.031 0.000 3.783 271 S HA -0.165 4.305 4.470 0.000 0.000 0.360 271 S C 0.933 175.517 174.600 -0.028 0.000 1.006 271 S CA 1.259 59.444 58.200 -0.024 0.000 1.115 271 S CB -1.353 61.834 63.200 -0.021 0.000 0.893 271 S HN 1.318 nan 8.310 nan 0.000 0.475 272 G N 0.226 109.006 108.800 -0.032 0.000 2.220 272 G HA2 -0.343 3.617 3.960 0.000 0.000 0.269 272 G HA3 -0.343 3.617 3.960 0.000 0.000 0.269 272 G C -0.229 174.642 174.900 -0.049 0.000 0.977 272 G CA 0.956 46.035 45.100 -0.035 0.000 0.634 272 G HN 1.039 nan 8.290 nan 0.000 0.539 273 E N -0.297 119.870 120.200 -0.055 0.000 2.212 273 E HA 0.721 5.071 4.350 0.000 0.000 0.270 273 E C -0.645 175.894 176.600 -0.102 0.000 0.956 273 E CA -1.389 54.970 56.400 -0.068 0.000 0.825 273 E CB 2.105 31.777 29.700 -0.048 0.000 1.167 273 E HN 0.225 nan 8.360 nan 0.000 0.400 274 L N 3.614 124.756 121.223 -0.136 0.000 2.255 274 L HA 0.116 4.456 4.340 0.000 0.000 0.289 274 L C 0.023 176.771 176.870 -0.204 0.000 1.046 274 L CA -0.383 54.329 54.840 -0.214 0.000 0.816 274 L CB 0.732 42.600 42.059 -0.317 0.000 1.197 274 L HN 0.754 nan 8.230 nan 0.000 0.427 275 L N 4.453 125.556 121.223 -0.200 0.000 2.130 275 L HA 0.235 4.575 4.340 0.000 0.000 0.200 275 L C 1.069 177.808 176.870 -0.219 0.000 1.075 275 L CA 1.024 55.776 54.840 -0.148 0.000 0.768 275 L CB -0.821 41.178 42.059 -0.099 0.000 0.933 275 L HN 0.802 nan 8.230 nan 0.000 0.451 276 R N -1.353 118.957 120.500 -0.317 0.000 2.747 276 R HA 0.546 4.886 4.340 0.000 0.000 0.272 276 R C -1.623 174.481 176.300 -0.327 0.000 1.032 276 R CA -0.738 55.169 56.100 -0.323 0.000 0.896 276 R CB 1.576 31.840 30.300 -0.060 0.000 1.253 276 R HN -0.200 nan 8.270 nan 0.000 0.461 277 I N 0.963 121.429 120.570 -0.173 0.000 2.608 277 I HA 0.584 4.754 4.170 0.000 0.000 0.295 277 I C -0.195 175.894 176.117 -0.047 0.000 1.049 277 I CA -0.847 60.392 61.300 -0.101 0.000 1.063 277 I CB 1.957 39.944 38.000 -0.021 0.000 1.248 277 I HN 0.672 nan 8.210 nan 0.000 0.424 278 R N 2.287 122.767 120.500 -0.033 0.000 2.867 278 R HA 0.831 5.171 4.340 0.000 0.000 0.268 278 R C -0.830 175.458 176.300 -0.020 0.000 1.014 278 R CA -1.026 55.056 56.100 -0.030 0.000 0.946 278 R CB 2.402 32.686 30.300 -0.026 0.000 1.208 278 R HN 0.706 nan 8.270 nan 0.000 0.477 279 A N 1.541 124.342 122.820 -0.031 0.000 2.328 279 A HA 0.382 4.702 4.320 0.000 0.000 0.284 279 A C -0.241 177.315 177.584 -0.045 0.000 1.160 279 A CA -0.336 51.681 52.037 -0.032 0.000 0.818 279 A CB 0.458 19.433 19.000 -0.042 0.000 1.087 279 A HN 0.659 nan 8.150 nan 0.000 0.504 280 R N 2.211 122.689 120.500 -0.036 0.000 2.294 280 R HA 0.260 4.601 4.340 0.000 0.000 0.319 280 R C -0.199 176.063 176.300 -0.065 0.000 0.984 280 R CA -0.369 55.709 56.100 -0.037 0.000 0.861 280 R CB 0.719 31.014 30.300 -0.010 0.000 1.104 280 R HN 0.872 nan 8.270 nan 0.000 0.451 281 E N 3.624 123.776 120.200 -0.079 0.000 2.351 281 E HA 0.036 4.386 4.350 0.000 0.000 0.266 281 E C -1.250 175.311 176.600 -0.066 0.000 1.031 281 E CA 0.054 56.393 56.400 -0.102 0.000 0.911 281 E CB 0.978 30.625 29.700 -0.089 0.000 0.986 281 E HN 0.375 nan 8.360 nan 0.000 0.446 282 V N 7.103 126.972 119.914 -0.075 0.000 2.564 282 V HA 0.212 4.332 4.120 0.000 0.000 0.259 282 V C -2.303 173.766 176.094 -0.041 0.000 0.936 282 V CA -1.640 60.633 62.300 -0.044 0.000 0.867 282 V CB 1.322 33.125 31.823 -0.033 0.000 1.076 282 V HN 0.635 nan 8.190 nan 0.000 0.476 283 P HA -0.258 nan 4.420 nan 0.000 0.220 283 P C 1.499 178.806 177.300 0.011 0.000 1.155 283 P CA 2.316 65.420 63.100 0.006 0.000 0.880 283 P CB 0.275 31.986 31.700 0.018 0.000 0.790 284 E N -0.653 119.548 120.200 0.002 0.000 2.023 284 E HA -0.125 4.225 4.350 0.000 0.000 0.196 284 E C 1.989 178.592 176.600 0.005 0.000 1.003 284 E CA 1.274 57.676 56.400 0.004 0.000 0.809 284 E CB -1.453 28.246 29.700 -0.001 0.000 0.755 284 E HN 0.218 nan 8.360 nan 0.000 0.449 285 V N 1.492 121.404 119.914 -0.003 0.000 4.168 285 V HA 0.050 4.170 4.120 0.000 0.000 0.181 285 V C 0.544 176.639 176.094 0.002 0.000 1.177 285 V CA 0.280 62.580 62.300 0.000 0.000 1.470 285 V CB -0.040 31.780 31.823 -0.006 0.000 1.783 285 V HN 0.387 nan 8.190 nan 0.000 0.431 286 N N 0.465 119.164 118.700 -0.003 0.000 2.356 286 N HA -0.102 4.638 4.740 0.000 0.000 0.252 286 N C 0.689 176.167 175.510 -0.053 0.000 1.241 286 N CA 0.715 53.766 53.050 0.001 0.000 0.861 286 N CB 0.898 39.384 38.487 -0.002 0.000 1.075 286 N HN 0.620 nan 8.380 nan 0.000 0.461 287 E N 3.213 123.357 120.200 -0.092 0.000 2.014 287 E HA -0.019 4.331 4.350 0.000 0.000 0.190 287 E C 1.309 177.631 176.600 -0.463 0.000 0.980 287 E CA 1.169 57.409 56.400 -0.267 0.000 0.807 287 E CB 0.145 29.633 29.700 -0.353 0.000 0.770 287 E HN 0.765 nan 8.360 nan 0.000 0.451 288 I N -1.527 118.626 120.570 -0.695 0.000 3.911 288 I HA 0.099 4.269 4.170 0.000 0.000 0.388 288 I C -1.282 174.465 176.117 -0.615 0.000 1.051 288 I CA -0.134 60.752 61.300 -0.691 0.000 1.133 288 I CB -0.451 37.008 38.000 -0.901 0.000 2.780 288 I HN 0.068 nan 8.210 nan 0.000 0.838 289 W N 2.061 123.315 121.300 -0.077 0.000 2.367 289 W HA 0.687 5.347 4.660 0.000 0.000 0.369 289 W C -0.091 176.426 176.519 -0.004 0.000 1.276 289 W CA -0.934 56.398 57.345 -0.022 0.000 1.415 289 W CB 1.140 30.612 29.460 0.020 0.000 1.306 289 W HN -0.216 nan 8.180 nan 0.000 0.669 290 I N 1.981 122.739 120.570 0.314 0.000 2.710 290 I HA 0.066 4.236 4.170 0.000 0.000 0.290 290 I C -0.043 176.125 176.117 0.084 0.000 1.318 290 I CA -1.295 60.083 61.300 0.130 0.000 1.045 290 I CB 0.580 38.587 38.000 0.011 0.000 1.307 290 I HN 0.669 nan 8.210 nan 0.000 0.424 291 C N 3.749 123.050 119.300 0.001 0.000 2.656 291 C HA 0.319 4.779 4.460 0.000 0.000 0.391 291 C C 1.636 176.406 174.990 -0.367 0.000 1.300 291 C CA -0.208 58.654 59.018 -0.261 0.000 2.302 291 C CB 0.652 28.163 27.740 -0.381 0.000 2.655 291 C HN 0.816 nan 8.230 nan 0.000 0.656 292 D N 1.742 121.871 120.400 -0.452 0.000 2.117 292 D HA -0.101 4.539 4.640 0.000 0.000 0.197 292 D C 2.348 178.325 176.300 -0.538 0.000 0.987 292 D CA 2.116 55.881 54.000 -0.392 0.000 0.829 292 D CB -0.623 40.137 40.800 -0.067 0.000 0.961 292 D HN 0.860 nan 8.370 nan 0.000 0.460 293 A N 1.060 123.275 122.820 -1.009 0.000 1.917 293 A HA -0.119 4.201 4.320 0.000 0.000 0.219 293 A C 2.406 179.729 177.584 -0.434 0.000 1.182 293 A CA 2.352 53.524 52.037 -1.441 0.000 0.633 293 A CB -1.099 17.087 19.000 -1.356 0.000 0.819 293 A HN 0.336 nan 8.150 nan 0.000 0.448 294 G N -1.091 107.547 108.800 -0.271 0.000 2.408 294 G HA2 -0.144 3.816 3.960 0.000 0.000 0.215 294 G HA3 -0.144 3.816 3.960 0.000 0.000 0.215 294 G C 1.715 176.646 174.900 0.053 0.000 1.156 294 G CA 0.895 45.995 45.100 0.001 0.000 0.793 294 G HN 0.585 nan 8.290 nan 0.000 0.535 295 R N -0.594 119.794 120.500 -0.186 0.000 2.062 295 R HA 0.048 4.388 4.340 0.000 0.000 0.229 295 R C 1.626 177.810 176.300 -0.193 0.000 1.128 295 R CA 1.189 57.093 56.100 -0.327 0.000 0.960 295 R CB -0.275 29.540 30.300 -0.807 0.000 0.855 295 R HN 0.342 nan 8.270 nan 0.000 0.432 296 F N -0.280 119.779 119.950 0.182 0.000 2.727 296 F HA 0.353 4.880 4.527 0.000 0.000 0.302 296 F C 1.160 177.129 175.800 0.281 0.000 1.097 296 F CA -0.019 58.139 58.000 0.263 0.000 1.330 296 F CB 0.493 39.673 39.000 0.300 0.000 1.084 296 F HN 0.052 nan 8.300 nan 0.000 0.578 297 G N 0.727 109.826 108.800 0.497 0.000 3.343 297 G HA2 0.188 4.148 3.960 0.000 0.000 0.279 297 G HA3 0.188 4.148 3.960 0.000 0.000 0.279 297 G C 0.492 175.766 174.900 0.624 0.000 0.919 297 G CA -0.064 45.386 45.100 0.584 0.000 1.812 297 G HN 0.647 nan 8.290 nan 0.000 0.584 298 H N -1.440 117.907 119.070 0.462 0.000 3.650 298 H HA 0.199 4.755 4.556 0.000 0.000 0.260 298 H C 0.598 175.913 175.328 -0.022 0.000 1.194 298 H CA -0.231 55.864 56.048 0.077 0.000 1.135 298 H CB 0.387 30.064 29.762 -0.141 0.000 1.612 298 H HN 0.300 nan 8.280 nan 0.000 0.703 299 E N 1.822 122.053 120.200 0.052 0.000 2.171 299 E HA -0.130 4.220 4.350 0.000 0.000 0.197 299 E C 1.794 178.512 176.600 0.196 0.000 0.997 299 E CA 1.634 58.099 56.400 0.108 0.000 0.810 299 E CB -0.178 29.564 29.700 0.069 0.000 0.738 299 E HN 0.741 nan 8.360 nan 0.000 0.467 300 W N 0.518 121.877 121.300 0.098 0.000 2.444 300 W HA 0.179 4.839 4.660 0.000 0.000 0.308 300 W C 2.060 178.724 176.519 0.241 0.000 1.183 300 W CA 0.835 58.275 57.345 0.158 0.000 1.340 300 W CB -1.372 28.170 29.460 0.136 0.000 1.138 300 W HN -0.024 nan 8.180 nan 0.000 0.510 301 A N 1.494 123.890 122.820 -0.707 0.000 1.908 301 A HA -0.273 4.047 4.320 0.000 0.000 0.218 301 A C 1.920 179.398 177.584 -0.176 0.000 1.181 301 A CA 2.416 54.165 52.037 -0.480 0.000 0.627 301 A CB -1.243 17.250 19.000 -0.844 0.000 0.818 301 A HN 0.257 nan 8.150 nan 0.000 0.445 302 D N -0.757 119.536 120.400 -0.179 0.000 2.154 302 D HA -0.136 4.504 4.640 0.000 0.000 0.190 302 D C 1.345 177.633 176.300 -0.019 0.000 1.003 302 D CA 1.200 55.153 54.000 -0.079 0.000 0.849 302 D CB -0.016 40.779 40.800 -0.009 0.000 0.942 302 D HN 0.412 nan 8.370 nan 0.000 0.446 303 Q N 0.013 119.834 119.800 0.034 0.000 2.386 303 Q HA 0.161 4.501 4.340 0.000 0.000 0.172 303 Q C 0.010 176.037 176.000 0.045 0.000 1.009 303 Q CA -0.649 55.184 55.803 0.051 0.000 1.039 303 Q CB -0.356 28.428 28.738 0.076 0.000 1.544 303 Q HN 0.147 nan 8.270 nan 0.000 0.515 304 N N 1.970 120.691 118.700 0.036 0.000 1.531 304 N HA -0.215 4.525 4.740 0.000 0.000 0.357 304 N C -0.103 175.314 175.510 -0.155 0.000 1.248 304 N CA 1.069 54.113 53.050 -0.010 0.000 0.793 304 N CB 0.077 38.586 38.487 0.037 0.000 1.023 304 N HN 0.331 nan 8.380 nan 0.000 0.521 305 R N 1.407 121.790 120.500 -0.196 0.000 2.752 305 R HA 0.434 4.774 4.340 0.000 0.000 0.271 305 R C -1.272 174.938 176.300 -0.151 0.000 1.026 305 R CA -0.859 55.017 56.100 -0.373 0.000 0.901 305 R CB 0.993 31.128 30.300 -0.274 0.000 1.243 305 R HN 0.300 nan 8.270 nan 0.000 0.463 306 L N 2.117 123.282 121.223 -0.097 0.000 2.326 306 L HA 0.388 4.728 4.340 0.000 0.000 0.278 306 L C -0.381 176.523 176.870 0.057 0.000 1.092 306 L CA 0.465 55.315 54.840 0.016 0.000 0.810 306 L CB 1.223 43.325 42.059 0.071 0.000 1.153 306 L HN 0.723 nan 8.230 nan 0.000 0.439 307 K N 1.117 121.558 120.400 0.068 0.000 2.464 307 K HA 0.252 4.572 4.320 0.000 0.000 0.206 307 K C -0.263 176.417 176.600 0.134 0.000 1.186 307 K CA 0.423 56.769 56.287 0.098 0.000 0.990 307 K CB 0.524 33.064 32.500 0.068 0.000 1.003 307 K HN 0.683 nan 8.250 nan 0.000 0.562 308 T N 0.043 114.658 114.554 0.101 0.000 2.848 308 T HA 0.429 4.779 4.350 0.000 0.000 0.285 308 T C -3.017 171.694 174.700 0.019 0.000 0.995 308 T CA -2.578 59.572 62.100 0.084 0.000 0.970 308 T CB 2.070 70.973 68.868 0.057 0.000 0.976 308 T HN -0.220 nan 8.240 nan 0.000 0.441 309 P HA 0.188 nan 4.420 nan 0.000 0.264 309 P C -0.539 176.701 177.300 -0.101 0.000 1.193 309 P CA -0.319 62.667 63.100 -0.190 0.000 0.763 309 P CB 0.709 32.075 31.700 -0.557 0.000 0.810 310 L N 3.457 124.653 121.223 -0.045 0.000 2.360 310 L HA 0.644 4.984 4.340 0.000 0.000 0.271 310 L C 0.509 177.374 176.870 -0.009 0.000 1.057 310 L CA -0.958 53.874 54.840 -0.012 0.000 0.803 310 L CB 1.877 43.947 42.059 0.019 0.000 1.207 310 L HN 0.192 nan 8.230 nan 0.000 0.445 311 V N 2.792 122.708 119.914 0.002 0.000 2.888 311 V HA 0.417 4.537 4.120 0.000 0.000 0.309 311 V C -0.607 175.498 176.094 0.018 0.000 1.114 311 V CA -0.775 61.537 62.300 0.020 0.000 0.940 311 V CB 2.379 34.208 31.823 0.010 0.000 1.021 311 V HN 0.822 nan 8.190 nan 0.000 0.426 312 R N 4.744 125.259 120.500 0.025 0.000 2.272 312 R HA 0.438 4.778 4.340 0.000 0.000 0.334 312 R C -0.501 175.781 176.300 -0.030 0.000 1.117 312 R CA -0.092 56.003 56.100 -0.008 0.000 0.966 312 R CB 0.190 30.471 30.300 -0.032 0.000 1.049 312 R HN 0.698 nan 8.270 nan 0.000 0.477 313 K N 3.413 123.799 120.400 -0.024 0.000 2.507 313 K HA 0.112 4.432 4.320 0.000 0.000 0.251 313 K C -0.895 175.689 176.600 -0.026 0.000 0.943 313 K CA -0.449 55.821 56.287 -0.028 0.000 0.794 313 K CB 1.058 33.547 32.500 -0.019 0.000 1.188 313 K HN 0.585 nan 8.250 nan 0.000 0.428 314 E N 2.143 122.325 120.200 -0.031 0.000 2.919 314 E HA -0.154 4.196 4.350 0.000 0.000 0.299 314 E C 0.282 176.865 176.600 -0.030 0.000 0.951 314 E CA 0.974 57.358 56.400 -0.027 0.000 0.952 314 E CB -1.590 28.099 29.700 -0.019 0.000 1.465 314 E HN 1.203 nan 8.360 nan 0.000 0.407 315 G N 0.505 109.281 108.800 -0.040 0.000 2.166 315 G HA2 -0.394 3.566 3.960 0.000 0.000 0.260 315 G HA3 -0.394 3.566 3.960 0.000 0.000 0.260 315 G C 0.272 175.151 174.900 -0.036 0.000 0.986 315 G CA 1.478 46.552 45.100 -0.044 0.000 0.683 315 G HN 0.593 nan 8.290 nan 0.000 0.527 316 R N -1.669 118.814 120.500 -0.027 0.000 2.817 316 R HA 0.830 5.170 4.340 0.000 0.000 0.268 316 R C -0.618 175.678 176.300 -0.007 0.000 1.027 316 R CA -1.335 54.756 56.100 -0.016 0.000 0.928 316 R CB 0.962 31.255 30.300 -0.011 0.000 1.228 316 R HN 0.018 nan 8.270 nan 0.000 0.469 317 L N 1.889 123.114 121.223 0.005 0.000 2.292 317 L HA 0.564 4.904 4.340 0.000 0.000 0.284 317 L C -0.588 176.288 176.870 0.010 0.000 1.065 317 L CA -0.620 54.228 54.840 0.013 0.000 0.806 317 L CB 1.450 43.525 42.059 0.027 0.000 1.175 317 L HN 0.498 nan 8.230 nan 0.000 0.431 318 V N 2.728 122.646 119.914 0.008 0.000 2.888 318 V HA 0.272 4.392 4.120 0.000 0.000 0.309 318 V C -0.097 175.999 176.094 0.003 0.000 1.114 318 V CA -1.117 61.187 62.300 0.006 0.000 0.940 318 V CB 2.399 34.223 31.823 0.002 0.000 1.021 318 V HN 0.789 nan 8.190 nan 0.000 0.426 319 E N 3.196 123.399 120.200 0.006 0.000 2.458 319 E HA 0.472 4.822 4.350 0.000 0.000 0.264 319 E C -0.017 176.580 176.600 -0.005 0.000 1.097 319 E CA 0.160 56.561 56.400 0.002 0.000 0.973 319 E CB 1.018 30.726 29.700 0.013 0.000 0.963 319 E HN 0.920 nan 8.360 nan 0.000 0.451 320 A N 1.299 124.107 122.820 -0.019 0.000 2.765 320 A HA 0.680 5.000 4.320 0.000 0.000 0.305 320 A C -0.833 176.741 177.584 -0.017 0.000 1.229 320 A CA -0.525 51.500 52.037 -0.020 0.000 0.653 320 A CB 1.299 20.275 19.000 -0.041 0.000 1.375 320 A HN 0.578 nan 8.150 nan 0.000 0.540 321 T N -1.039 113.512 114.554 -0.005 0.000 2.907 321 T HA 0.393 4.743 4.350 0.000 0.000 0.292 321 T C 0.237 174.956 174.700 0.030 0.000 1.043 321 T CA -0.296 61.839 62.100 0.057 0.000 1.003 321 T CB 1.034 69.965 68.868 0.106 0.000 1.084 321 T HN 0.584 nan 8.240 nan 0.000 0.483 322 W N 0.990 122.327 121.300 0.062 0.000 2.325 322 W HA -0.107 4.553 4.660 0.000 0.000 0.299 322 W C 2.213 178.794 176.519 0.102 0.000 1.215 322 W CA 0.923 58.307 57.345 0.065 0.000 1.244 322 W CB -0.144 29.330 29.460 0.024 0.000 1.140 322 W HN 0.721 nan 8.180 nan 0.000 0.523 323 E N 0.383 120.749 120.200 0.277 0.000 2.007 323 E HA -0.199 4.151 4.350 0.000 0.000 0.194 323 E C 1.835 178.565 176.600 0.217 0.000 0.999 323 E CA 1.632 58.176 56.400 0.240 0.000 0.811 323 E CB -0.849 28.953 29.700 0.169 0.000 0.762 323 E HN 0.450 nan 8.360 nan 0.000 0.450 324 E N 0.923 121.200 120.200 0.128 0.000 2.013 324 E HA -0.235 4.115 4.350 0.000 0.000 0.202 324 E C 2.121 178.763 176.600 0.070 0.000 1.018 324 E CA 1.250 57.694 56.400 0.075 0.000 0.834 324 E CB -0.314 29.408 29.700 0.036 0.000 0.770 324 E HN 0.232 nan 8.360 nan 0.000 0.459 325 A N 1.297 124.132 122.820 0.025 0.000 1.929 325 A HA -0.284 4.036 4.320 0.000 0.000 0.221 325 A C 2.042 179.693 177.584 0.112 0.000 1.211 325 A CA 2.061 54.097 52.037 -0.002 0.000 0.657 325 A CB -1.037 17.855 19.000 -0.180 0.000 0.827 325 A HN 0.381 nan 8.150 nan 0.000 0.462 326 F N 0.455 120.410 119.950 0.009 0.000 2.069 326 F HA -0.159 4.368 4.527 0.000 0.000 0.298 326 F C 2.021 177.840 175.800 0.033 0.000 1.113 326 F CA 1.772 59.802 58.000 0.050 0.000 1.214 326 F CB -0.684 38.370 39.000 0.090 0.000 0.978 326 F HN 0.179 nan 8.300 nan 0.000 0.474 327 L N 0.115 121.277 121.223 -0.101 0.000 1.970 327 L HA -0.228 4.112 4.340 0.000 0.000 0.212 327 L C 2.722 179.485 176.870 -0.178 0.000 1.071 327 L CA 1.502 56.205 54.840 -0.229 0.000 0.751 327 L CB -1.442 40.566 42.059 -0.085 0.000 0.889 327 L HN 0.218 nan 8.230 nan 0.000 0.432 328 A N -0.678 122.095 122.820 -0.078 0.000 2.186 328 A HA -0.174 4.146 4.320 0.000 0.000 0.219 328 A C 2.132 179.679 177.584 -0.062 0.000 1.159 328 A CA 1.398 53.397 52.037 -0.063 0.000 0.680 328 A CB -0.455 18.538 19.000 -0.011 0.000 0.787 328 A HN 0.363 nan 8.150 nan 0.000 0.467 329 L N -0.718 120.481 121.223 -0.040 0.000 2.130 329 L HA 0.095 4.435 4.340 0.000 0.000 0.200 329 L C 2.245 179.045 176.870 -0.117 0.000 1.075 329 L CA 2.079 56.953 54.840 0.056 0.000 0.768 329 L CB -0.397 41.765 42.059 0.171 0.000 0.933 329 L HN 0.343 nan 8.230 nan 0.000 0.451 330 K N -0.177 120.068 120.400 -0.257 0.000 2.097 330 K HA -0.258 4.062 4.320 0.000 0.000 0.206 330 K C 1.896 178.341 176.600 -0.259 0.000 1.049 330 K CA 1.778 57.892 56.287 -0.288 0.000 0.933 330 K CB -0.105 32.130 32.500 -0.440 0.000 0.717 330 K HN 0.442 nan 8.250 nan 0.000 0.442 331 E N -0.887 119.160 120.200 -0.255 0.000 2.516 331 E HA -0.077 4.273 4.350 0.000 0.000 0.199 331 E C 1.120 177.546 176.600 -0.289 0.000 1.069 331 E CA 0.554 56.818 56.400 -0.226 0.000 0.876 331 E CB 0.097 29.691 29.700 -0.176 0.000 0.843 331 E HN 0.494 nan 8.360 nan 0.000 0.530 332 G N -0.363 108.169 108.800 -0.448 0.000 2.944 332 G HA2 0.075 4.035 3.960 0.000 0.000 0.220 332 G HA3 0.075 4.035 3.960 0.000 0.000 0.220 332 G C 1.109 175.616 174.900 -0.655 0.000 1.100 332 G CA -0.223 44.438 45.100 -0.731 0.000 0.780 332 G HN 0.172 nan 8.290 nan 0.000 0.539 333 L N -0.234 120.719 121.223 -0.449 0.000 2.766 333 L HA 0.343 4.683 4.340 0.000 0.000 0.242 333 L C 1.152 177.842 176.870 -0.301 0.000 1.136 333 L CA 0.047 54.655 54.840 -0.387 0.000 0.933 333 L CB 0.571 42.507 42.059 -0.205 0.000 1.241 333 L HN -0.005 nan 8.230 nan 0.000 0.522 334 K N 1.737 121.992 120.400 -0.242 0.000 2.229 334 K HA 0.098 4.418 4.320 0.000 0.000 0.247 334 K C 0.372 176.885 176.600 -0.144 0.000 1.117 334 K CA 0.262 56.448 56.287 -0.168 0.000 1.036 334 K CB 0.331 32.745 32.500 -0.144 0.000 1.654 334 K HN 0.185 nan 8.250 nan 0.000 0.405 335 E N 1.643 121.761 120.200 -0.137 0.000 1.669 335 E HA 0.069 4.419 4.350 0.000 0.000 0.205 335 E C -1.426 175.147 176.600 -0.046 0.000 0.997 335 E CA 0.115 56.472 56.400 -0.072 0.000 1.175 335 E CB 0.389 30.060 29.700 -0.048 0.000 4.216 335 E HN 0.375 nan 8.360 nan 0.000 0.831 336 A N 1.518 124.260 122.820 -0.130 0.000 2.497 336 A HA 0.655 4.975 4.320 0.000 0.000 0.280 336 A C -1.151 176.328 177.584 -0.175 0.000 1.065 336 A CA -0.580 51.408 52.037 -0.081 0.000 0.781 336 A CB 1.180 20.236 19.000 0.095 0.000 1.289 336 A HN 0.097 nan 8.150 nan 0.000 0.415 337 R N 1.716 122.166 120.500 -0.082 0.000 2.387 337 R HA 0.622 4.962 4.340 0.000 0.000 0.314 337 R C 0.765 177.048 176.300 -0.028 0.000 0.958 337 R CA 0.643 56.698 56.100 -0.075 0.000 0.846 337 R CB 1.041 31.305 30.300 -0.059 0.000 1.147 337 R HN 2.149 nan 8.270 nan 0.000 0.447 338 G N 2.881 111.668 108.800 -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 -0.484 174.428 174.900 0.019 0.000 1.036 338 G CA 0.552 45.652 45.100 -0.001 0.000 0.887 338 G HN 0.672 nan 8.290 nan 0.000 0.505 339 E N 0.502 120.737 120.200 0.058 0.000 2.490 339 E HA 0.299 4.649 4.350 0.000 0.000 0.232 339 E C 0.409 177.083 176.600 0.124 0.000 1.091 339 E CA -0.367 56.090 56.400 0.095 0.000 1.050 339 E CB 0.165 29.951 29.700 0.143 0.000 1.342 339 E HN 0.567 nan 8.360 nan 0.000 0.454 340 E N 0.688 120.912 120.200 0.039 0.000 2.414 340 E HA -0.172 4.178 4.350 0.000 0.000 0.173 340 E C -1.000 175.657 176.600 0.095 0.000 1.551 340 E CA -0.190 56.202 56.400 -0.014 0.000 0.661 340 E CB -0.434 29.302 29.700 0.061 0.000 1.108 340 E HN 0.139 nan 8.360 nan 0.000 0.365 341 V N 1.279 121.228 119.914 0.058 0.000 2.546 341 V HA 0.524 4.644 4.120 0.000 0.000 0.284 341 V C 1.236 177.421 176.094 0.152 0.000 1.050 341 V CA 0.326 62.713 62.300 0.145 0.000 0.981 341 V CB 1.731 33.611 31.823 0.095 0.000 0.990 341 V HN 0.454 nan 8.190 nan 0.000 0.474 342 G N 4.442 113.370 108.800 0.213 0.000 2.348 342 G HA2 0.657 4.617 3.960 0.000 0.000 0.312 342 G HA3 0.657 4.617 3.960 0.000 0.000 0.312 342 G C -0.983 173.899 174.900 -0.030 0.000 1.126 342 G CA -0.557 44.631 45.100 0.146 0.000 0.865 342 G HN 0.587 nan 8.290 nan 0.000 0.474 343 L N 1.827 122.891 121.223 -0.266 0.000 2.356 343 L HA 0.478 4.818 4.340 0.000 0.000 0.277 343 L C -1.382 175.334 176.870 -0.257 0.000 0.996 343 L CA -0.875 53.928 54.840 -0.062 0.000 0.822 343 L CB 1.970 44.057 42.059 0.046 0.000 1.256 343 L HN 0.534 nan 8.230 nan 0.000 0.413 344 Y N 3.560 124.058 120.300 0.330 0.000 2.301 344 Y HA 0.449 4.999 4.550 0.000 0.000 0.325 344 Y C -0.357 175.832 175.900 0.482 0.000 1.103 344 Y CA -0.629 57.738 58.100 0.445 0.000 1.182 344 Y CB 1.391 40.192 38.460 0.569 0.000 1.139 344 Y HN 0.337 nan 8.280 nan 0.000 0.443 345 L N 2.688 124.282 121.223 0.619 0.000 2.399 345 L HA 0.843 5.183 4.340 0.000 0.000 0.265 345 L C 0.739 177.879 176.870 0.450 0.000 1.089 345 L CA -1.145 54.002 54.840 0.510 0.000 0.802 345 L CB 0.985 43.261 42.059 0.362 0.000 1.180 345 L HN 0.695 nan 8.230 nan 0.000 0.454 346 A N 0.430 123.457 122.820 0.345 0.000 2.386 346 A HA 0.089 4.410 4.320 0.000 0.000 0.246 346 A C 1.244 178.803 177.584 -0.043 0.000 1.089 346 A CA -0.035 52.081 52.037 0.132 0.000 0.790 346 A CB 0.022 19.118 19.000 0.161 0.000 1.042 346 A HN 1.000 nan 8.150 nan 0.000 0.497 347 H N 0.463 119.394 119.070 -0.232 0.000 2.387 347 H HA -0.141 4.415 4.556 0.000 0.000 0.299 347 H C 0.398 175.629 175.328 -0.160 0.000 1.090 347 H CA 1.747 57.665 56.048 -0.216 0.000 1.332 347 H CB -0.461 29.155 29.762 -0.242 0.000 1.386 347 H HN 0.724 nan 8.280 nan 0.000 0.516 348 D N 1.060 120.865 120.400 -0.992 0.000 2.519 348 D HA 0.346 4.986 4.640 0.000 0.000 0.238 348 D C 0.261 176.395 176.300 -0.277 0.000 1.192 348 D CA -0.006 53.569 54.000 -0.707 0.000 0.835 348 D CB -0.095 40.327 40.800 -0.630 0.000 0.975 348 D HN 0.552 nan 8.370 nan 0.000 0.490 349 A N 0.846 123.544 122.820 -0.203 0.000 2.425 349 A HA 0.459 4.779 4.320 0.000 0.000 0.249 349 A C 1.072 178.601 177.584 -0.091 0.000 1.084 349 A CA -0.358 51.632 52.037 -0.079 0.000 0.781 349 A CB 0.095 19.075 19.000 -0.034 0.000 1.019 349 A HN 0.431 nan 8.150 nan 0.000 0.490 350 T N 0.342 114.879 114.554 -0.028 0.000 2.766 350 T HA 0.238 4.588 4.350 0.000 0.000 0.295 350 T C 1.092 175.782 174.700 -0.017 0.000 1.024 350 T CA -0.082 62.011 62.100 -0.011 0.000 1.018 350 T CB 0.299 69.185 68.868 0.031 0.000 1.002 350 T HN 0.493 nan 8.240 nan 0.000 0.532 351 L N 0.682 121.912 121.223 0.012 0.000 2.093 351 L HA 0.076 4.416 4.340 0.000 0.000 0.208 351 L C 2.459 179.340 176.870 0.017 0.000 1.085 351 L CA 1.769 56.616 54.840 0.011 0.000 0.755 351 L CB -1.093 41.003 42.059 0.062 0.000 0.904 351 L HN 0.793 nan 8.230 nan 0.000 0.435 352 E N -0.355 119.871 120.200 0.043 0.000 2.028 352 E HA -0.180 4.170 4.350 0.000 0.000 0.190 352 E C 2.083 178.678 176.600 -0.008 0.000 0.984 352 E CA 1.350 57.795 56.400 0.074 0.000 0.800 352 E CB -0.333 29.446 29.700 0.131 0.000 0.758 352 E HN 0.454 nan 8.360 nan 0.000 0.448 353 E N 0.163 120.369 120.200 0.010 0.000 2.187 353 E HA -0.210 4.140 4.350 0.000 0.000 0.199 353 E C 2.024 178.601 176.600 -0.039 0.000 1.004 353 E CA 1.099 57.497 56.400 -0.003 0.000 0.813 353 E CB -0.308 29.424 29.700 0.052 0.000 0.736 353 E HN 0.384 nan 8.360 nan 0.000 0.468 354 G N 1.082 109.859 108.800 -0.039 0.000 2.424 354 G HA2 -0.225 3.735 3.960 0.000 0.000 0.214 354 G HA3 -0.225 3.735 3.960 0.000 0.000 0.214 354 G C 1.444 176.294 174.900 -0.084 0.000 1.202 354 G CA 0.499 45.579 45.100 -0.034 0.000 0.793 354 G HN 0.149 nan 8.290 nan 0.000 0.534 355 L N 0.636 121.792 121.223 -0.112 0.000 1.963 355 L HA -0.130 4.210 4.340 0.000 0.000 0.220 355 L C 2.620 179.228 176.870 -0.437 0.000 1.076 355 L CA 2.288 57.025 54.840 -0.172 0.000 0.772 355 L CB -1.041 40.985 42.059 -0.055 0.000 0.892 355 L HN 0.239 nan 8.230 nan 0.000 0.435 356 L N 0.277 121.000 121.223 -0.833 0.000 1.965 356 L HA -0.270 4.070 4.340 0.000 0.000 0.226 356 L C 2.545 179.140 176.870 -0.459 0.000 1.083 356 L CA 2.901 57.070 54.840 -1.118 0.000 0.790 356 L CB -1.589 39.983 42.059 -0.811 0.000 0.898 356 L HN 0.392 nan 8.230 nan 0.000 0.439 357 A N -1.309 121.364 122.820 -0.245 0.000 1.940 357 A HA -0.351 3.969 4.320 0.000 0.000 0.221 357 A C 2.509 180.050 177.584 -0.073 0.000 1.190 357 A CA 2.796 54.776 52.037 -0.096 0.000 0.647 357 A CB -1.466 17.544 19.000 0.017 0.000 0.821 357 A HN 0.717 nan 8.150 nan 0.000 0.457 358 S N -0.933 114.716 115.700 -0.084 0.000 2.349 358 S HA -0.197 4.273 4.470 0.000 0.000 0.216 358 S C 1.975 176.545 174.600 -0.050 0.000 1.033 358 S CA 1.537 59.715 58.200 -0.038 0.000 1.021 358 S CB -0.478 62.707 63.200 -0.025 0.000 0.968 358 S HN 0.572 nan 8.310 nan 0.000 0.426 359 E N 1.003 121.151 120.200 -0.085 0.000 2.136 359 E HA -0.205 4.145 4.350 0.000 0.000 0.202 359 E C 2.089 178.678 176.600 -0.019 0.000 1.019 359 E CA 1.339 57.722 56.400 -0.028 0.000 0.819 359 E CB -0.821 28.888 29.700 0.015 0.000 0.739 359 E HN 0.553 nan 8.360 nan 0.000 0.458 360 L N 0.613 121.802 121.223 -0.057 0.000 2.083 360 L HA -0.074 4.266 4.340 0.000 0.000 0.209 360 L C 2.145 179.004 176.870 -0.017 0.000 1.083 360 L CA 2.169 56.991 54.840 -0.030 0.000 0.752 360 L CB -0.529 41.499 42.059 -0.052 0.000 0.899 360 L HN 0.039 nan 8.230 nan 0.000 0.433 361 A N -0.956 121.852 122.820 -0.021 0.000 2.067 361 A HA -0.134 4.186 4.320 0.000 0.000 0.217 361 A C 2.384 179.960 177.584 -0.013 0.000 1.156 361 A CA 1.405 53.432 52.037 -0.017 0.000 0.683 361 A CB -0.461 18.532 19.000 -0.011 0.000 0.808 361 A HN 0.528 nan 8.150 nan 0.000 0.455 362 K N -0.120 120.278 120.400 -0.003 0.000 1.991 362 K HA 0.033 4.353 4.320 0.000 0.000 0.207 362 K C 2.230 178.833 176.600 0.005 0.000 1.045 362 K CA 1.034 57.324 56.287 0.005 0.000 0.937 362 K CB -0.349 32.160 32.500 0.016 0.000 0.720 362 K HN 0.285 nan 8.250 nan 0.000 0.438 363 A N 1.367 124.193 122.820 0.010 0.000 1.892 363 A HA -0.146 4.174 4.320 0.000 0.000 0.218 363 A C 1.200 178.786 177.584 0.004 0.000 1.188 363 A CA 1.091 53.135 52.037 0.013 0.000 0.631 363 A CB -0.594 18.418 19.000 0.021 0.000 0.822 363 A HN 0.384 nan 8.150 nan 0.000 0.447 364 L N 0.515 121.737 121.223 -0.003 0.000 2.401 364 L HA 0.235 4.575 4.340 0.000 0.000 0.283 364 L C 1.040 177.896 176.870 -0.023 0.000 1.151 364 L CA 0.251 55.084 54.840 -0.011 0.000 0.942 364 L CB -0.401 41.651 42.059 -0.013 0.000 1.283 364 L HN 0.299 nan 8.230 nan 0.000 0.442 365 K N 1.135 121.525 120.400 -0.018 0.000 2.293 365 K HA -0.121 4.199 4.320 0.000 0.000 0.204 365 K C 0.185 176.758 176.600 -0.044 0.000 1.045 365 K CA 1.628 57.902 56.287 -0.022 0.000 0.933 365 K CB -0.098 32.395 32.500 -0.012 0.000 0.736 365 K HN 0.800 nan 8.250 nan 0.000 0.463 366 T N 1.085 115.603 114.554 -0.061 0.000 3.400 366 T HA 0.295 4.645 4.350 0.000 0.000 0.364 366 T C -2.505 172.064 174.700 -0.219 0.000 1.636 366 T CA -1.566 60.469 62.100 -0.109 0.000 1.211 366 T CB 1.198 70.022 68.868 -0.074 0.000 1.180 366 T HN 0.067 nan 8.240 nan 0.000 0.730 367 P HA 0.684 nan 4.420 nan 0.000 0.308 367 P C -1.887 175.168 177.300 -0.407 0.000 1.236 367 P CA -0.857 62.035 63.100 -0.348 0.000 0.971 367 P CB 1.939 33.563 31.700 -0.128 0.000 1.399 368 H N -1.181 117.861 119.070 -0.047 0.000 5.312 368 H HA 0.331 4.887 4.556 0.000 0.000 0.786 368 H C -0.840 174.386 175.328 -0.171 0.000 1.978 368 H CA -0.889 55.126 56.048 -0.054 0.000 1.573 368 H CB -1.652 28.103 29.762 -0.012 0.000 3.839 368 H HN 0.409 nan 8.280 nan 0.000 0.562 369 L N -0.765 120.473 121.223 0.025 0.000 2.397 369 L HA 1.026 5.366 4.340 0.000 0.000 0.266 369 L C -0.736 176.140 176.870 0.011 0.000 1.040 369 L CA -0.827 53.958 54.840 -0.092 0.000 0.800 369 L CB 2.020 44.090 42.059 0.018 0.000 1.324 369 L HN 0.426 nan 8.230 nan 0.000 0.469 370 D N -1.644 118.842 120.400 0.144 0.000 2.755 370 D HA 0.494 5.134 4.640 0.000 0.000 0.277 370 D C -1.450 175.121 176.300 0.452 0.000 1.261 370 D CA -0.306 53.837 54.000 0.239 0.000 0.759 370 D CB 1.582 42.661 40.800 0.465 0.000 1.279 370 D HN 0.312 nan 8.370 nan 0.000 0.420 371 F N 0.804 120.887 119.950 0.222 0.000 2.408 371 F HA 0.366 4.893 4.527 0.000 0.000 0.325 371 F C 2.019 177.600 175.800 -0.365 0.000 1.082 371 F CA -0.744 57.258 58.000 0.004 0.000 1.032 371 F CB 0.260 39.218 39.000 -0.070 0.000 1.259 371 F HN 0.379 nan 8.300 nan 0.000 0.503 372 Q N 0.215 119.723 119.800 -0.486 0.000 2.508 372 Q HA 0.036 4.376 4.340 0.000 0.000 0.214 372 Q C 0.772 175.730 176.000 -1.737 0.000 0.979 372 Q CA 1.369 56.245 55.803 -1.546 0.000 0.911 372 Q CB -0.204 27.615 28.738 -1.532 0.000 0.969 372 Q HN 1.007 nan 8.270 nan 0.000 0.504 373 G N 0.415 108.529 108.800 -1.144 0.000 4.818 373 G HA2 0.000 3.960 3.960 0.000 0.000 0.253 373 G HA3 0.000 3.960 3.960 0.000 0.000 0.253 373 G C -0.480 174.350 174.900 -0.117 0.000 0.986 373 G CA -0.684 43.887 45.100 -0.882 0.000 0.785 373 G HN 0.114 nan 8.290 nan 0.000 0.325 374 R N 2.150 122.651 120.500 0.000 0.000 2.481 374 R HA 0.013 4.353 4.340 0.000 0.000 0.291 374 R C 0.094 176.571 176.300 0.295 0.000 0.934 374 R CA 1.130 57.311 56.100 0.135 0.000 1.116 374 R CB -0.174 29.891 30.300 -0.391 0.000 0.895 374 R HN 0.230 nan 8.270 nan 0.000 0.410 375 T N 1.552 116.238 114.554 0.221 0.000 2.897 375 T HA 0.360 4.710 4.350 0.000 0.000 0.294 375 T C 1.605 176.398 174.700 0.155 0.000 1.004 375 T CA -0.296 61.916 62.100 0.188 0.000 1.106 375 T CB 1.662 70.615 68.868 0.143 0.000 0.949 375 T HN 0.577 nan 8.240 nan 0.000 0.520 376 A N 2.466 125.367 122.820 0.134 0.000 1.948 376 A HA 0.262 4.583 4.320 0.000 0.000 0.220 376 A C 1.651 179.292 177.584 0.095 0.000 1.177 376 A CA 1.219 53.324 52.037 0.114 0.000 0.636 376 A CB -1.003 18.058 19.000 0.101 0.000 0.815 376 A HN 1.387 nan 8.150 nan 0.000 0.449 377 A N 0.331 123.213 122.820 0.104 0.000 2.280 377 A HA 0.601 4.921 4.320 0.000 0.000 0.320 377 A C -2.747 174.939 177.584 0.170 0.000 1.366 377 A CA -1.785 50.326 52.037 0.124 0.000 0.938 377 A CB 0.124 19.218 19.000 0.156 0.000 1.157 377 A HN 0.163 nan 8.150 nan 0.000 0.536 378 P HA 0.071 nan 4.420 nan 0.000 0.262 378 P C 0.937 178.379 177.300 0.236 0.000 1.182 378 P CA 0.574 63.774 63.100 0.168 0.000 0.761 378 P CB 0.977 32.744 31.700 0.111 0.000 0.795 379 A N 2.996 125.970 122.820 0.257 0.000 2.067 379 A HA -0.118 4.202 4.320 0.000 0.000 0.219 379 A C 1.935 179.692 177.584 0.287 0.000 1.158 379 A CA 1.406 53.624 52.037 0.301 0.000 0.661 379 A CB -1.126 17.987 19.000 0.189 0.000 0.801 379 A HN 0.493 nan 8.150 nan 0.000 0.452 380 S N 0.251 116.050 115.700 0.165 0.000 2.584 380 S HA -0.002 4.468 4.470 0.000 0.000 0.240 380 S C 1.546 176.107 174.600 -0.064 0.000 0.975 380 S CA 0.339 58.553 58.200 0.023 0.000 0.949 380 S CB -0.247 62.884 63.200 -0.116 0.000 0.761 380 S HN 0.437 nan 8.310 nan 0.000 0.536 381 L N 0.424 121.628 121.223 -0.031 0.000 1.993 381 L HA 0.097 4.437 4.340 0.000 0.000 0.206 381 L C 0.372 177.066 176.870 -0.295 0.000 1.074 381 L CA 1.440 56.106 54.840 -0.290 0.000 0.746 381 L CB -1.153 40.521 42.059 -0.642 0.000 0.896 381 L HN 0.299 nan 8.230 nan 0.000 0.435 382 F N 1.496 121.437 119.950 -0.016 0.000 2.456 382 F HA 0.264 4.791 4.527 0.000 0.000 0.358 382 F C -1.627 174.174 175.800 0.001 0.000 1.095 382 F CA -3.223 54.776 58.000 -0.001 0.000 1.216 382 F CB -0.933 38.072 39.000 0.008 0.000 1.125 382 F HN 0.043 nan 8.300 nan 0.000 0.549 383 P HA 0.103 nan 4.420 nan 0.000 0.271 383 P C -2.655 174.710 177.300 0.109 0.000 1.226 383 P CA -1.269 61.893 63.100 0.104 0.000 0.765 383 P CB 0.329 32.075 31.700 0.077 0.000 0.835 384 P HA 0.015 nan 4.420 nan 0.000 0.260 384 P C -0.265 177.067 177.300 0.052 0.000 1.172 384 P CA 0.864 64.006 63.100 0.070 0.000 0.760 384 P CB 0.097 31.837 31.700 0.067 0.000 0.773 385 A N 3.122 125.964 122.820 0.037 0.000 2.324 385 A HA 0.596 4.916 4.320 0.000 0.000 0.330 385 A C 0.200 177.788 177.584 0.005 0.000 1.165 385 A CA -0.356 51.693 52.037 0.020 0.000 0.813 385 A CB 0.910 19.916 19.000 0.010 0.000 1.197 385 A HN 0.423 nan 8.150 nan 0.000 0.484 386 S N 0.806 116.507 115.700 0.002 0.000 2.651 386 S HA 0.450 4.920 4.470 0.000 0.000 0.291 386 S C 0.822 175.413 174.600 -0.014 0.000 1.141 386 S CA -0.668 57.531 58.200 -0.002 0.000 1.027 386 S CB 0.479 63.682 63.200 0.005 0.000 1.043 386 S HN 0.515 nan 8.310 nan 0.000 0.530 387 L N 3.032 124.249 121.223 -0.010 0.000 2.093 387 L HA 0.078 4.418 4.340 0.000 0.000 0.208 387 L C 2.433 179.301 176.870 -0.003 0.000 1.085 387 L CA 1.685 56.519 54.840 -0.012 0.000 0.755 387 L CB -1.222 40.841 42.059 0.007 0.000 0.904 387 L HN 0.822 nan 8.230 nan 0.000 0.435 388 E N 0.012 120.216 120.200 0.006 0.000 2.033 388 E HA -0.226 4.124 4.350 0.000 0.000 0.199 388 E C 1.856 178.460 176.600 0.008 0.000 1.011 388 E CA 1.748 58.155 56.400 0.012 0.000 0.815 388 E CB -0.097 29.609 29.700 0.010 0.000 0.755 388 E HN 0.430 nan 8.360 nan 0.000 0.451 389 D N 0.098 120.498 120.400 -0.001 0.000 2.103 389 D HA -0.211 4.429 4.640 0.000 0.000 0.190 389 D C 2.093 178.378 176.300 -0.025 0.000 0.997 389 D CA 1.376 55.373 54.000 -0.005 0.000 0.833 389 D CB -0.657 40.139 40.800 -0.007 0.000 0.961 389 D HN 0.190 nan 8.370 nan 0.000 0.447 390 L N 1.198 122.379 121.223 -0.069 0.000 2.054 390 L HA -0.234 4.106 4.340 0.000 0.000 0.220 390 L C 2.296 179.075 176.870 -0.151 0.000 1.081 390 L CA 1.595 56.327 54.840 -0.180 0.000 0.780 390 L CB -0.784 41.151 42.059 -0.206 0.000 0.893 390 L HN 0.077 nan 8.230 nan 0.000 0.438 391 L N -1.203 120.021 121.223 0.003 0.000 2.131 391 L HA -0.220 4.120 4.340 0.000 0.000 0.210 391 L C 2.396 179.387 176.870 0.201 0.000 1.092 391 L CA 1.377 56.312 54.840 0.158 0.000 0.759 391 L CB -0.440 41.688 42.059 0.115 0.000 0.903 391 L HN 0.477 nan 8.230 nan 0.000 0.435 392 Q N -0.376 119.487 119.800 0.106 0.000 2.403 392 Q HA 0.193 4.533 4.340 0.000 0.000 0.203 392 Q C 0.799 176.868 176.000 0.114 0.000 0.932 392 Q CA -0.139 55.723 55.803 0.097 0.000 0.945 392 Q CB 0.328 29.095 28.738 0.049 0.000 1.045 392 Q HN 0.438 nan 8.270 nan 0.000 0.511 393 A N 1.076 123.974 122.820 0.130 0.000 2.366 393 A HA -0.003 4.317 4.320 0.000 0.000 0.250 393 A C 0.398 178.141 177.584 0.266 0.000 1.099 393 A CA 0.042 52.153 52.037 0.123 0.000 0.794 393 A CB 0.306 19.299 19.000 -0.011 0.000 1.056 393 A HN 0.134 nan 8.150 nan 0.000 0.499 394 D N -1.679 118.847 120.400 0.210 0.000 2.407 394 D HA 0.287 4.927 4.640 0.000 0.000 0.208 394 D C -0.860 175.660 176.300 0.366 0.000 1.083 394 D CA 0.879 55.007 54.000 0.214 0.000 0.844 394 D CB 0.574 41.429 40.800 0.092 0.000 0.967 394 D HN 0.326 nan 8.370 nan 0.000 0.506 395 F N 0.650 120.740 119.950 0.232 0.000 2.746 395 F HA 0.453 4.980 4.527 0.000 0.000 0.311 395 F C -2.048 173.900 175.800 0.248 0.000 1.135 395 F CA -1.239 56.919 58.000 0.263 0.000 0.954 395 F CB 1.072 40.132 39.000 0.101 0.000 1.276 395 F HN -0.229 nan 8.300 nan 0.000 0.440 396 A N 4.726 127.043 122.820 -0.838 0.000 2.375 396 A HA 0.675 4.995 4.320 0.000 0.000 0.291 396 A C -2.268 174.835 177.584 -0.801 0.000 1.160 396 A CA -0.547 51.130 52.037 -0.600 0.000 0.747 396 A CB 1.035 19.826 19.000 -0.348 0.000 1.170 396 A HN 0.910 nan 8.150 nan 0.000 0.458 397 L N 4.318 125.346 121.223 -0.325 0.000 2.257 397 L HA 0.674 5.014 4.340 0.000 0.000 0.290 397 L C -0.831 176.030 176.870 -0.015 0.000 1.044 397 L CA 0.015 54.839 54.840 -0.028 0.000 0.810 397 L CB 1.100 43.359 42.059 0.332 0.000 1.193 397 L HN 0.396 nan 8.230 nan 0.000 0.425 398 V N 6.382 126.279 119.914 -0.029 0.000 2.715 398 V HA 0.468 4.588 4.120 0.000 0.000 0.310 398 V C -0.231 175.890 176.094 0.046 0.000 1.054 398 V CA -0.475 61.807 62.300 -0.030 0.000 0.928 398 V CB 1.823 33.596 31.823 -0.084 0.000 1.007 398 V HN 0.607 nan 8.190 nan 0.000 0.437 399 L N 3.449 124.690 121.223 0.030 0.000 2.861 399 L HA 0.753 5.093 4.340 0.000 0.000 0.290 399 L C 0.364 177.256 176.870 0.037 0.000 1.346 399 L CA 0.292 55.181 54.840 0.083 0.000 0.779 399 L CB 1.192 43.288 42.059 0.060 0.000 1.143 399 L HN 0.901 nan 8.230 nan 0.000 0.548 400 G N -0.644 108.150 108.800 -0.011 0.000 2.110 400 G HA2 0.078 4.038 3.960 0.000 0.000 0.218 400 G HA3 0.078 4.038 3.960 0.000 0.000 0.218 400 G C -0.962 173.902 174.900 -0.060 0.000 2.460 400 G CA -1.061 44.017 45.100 -0.037 0.000 0.838 400 G HN 0.055 nan 8.290 nan 0.000 0.534 401 D N 3.007 123.340 120.400 -0.113 0.000 6.826 401 D HA -0.056 4.584 4.640 0.000 0.000 0.196 401 D C -0.549 175.755 176.300 0.007 0.000 1.416 401 D CA -0.392 53.575 54.000 -0.055 0.000 0.858 401 D CB 0.893 41.720 40.800 0.045 0.000 1.523 401 D HN 0.202 nan 8.370 nan 0.000 0.885 402 P HA -0.133 nan 4.420 nan 0.000 0.218 402 P C 1.273 178.627 177.300 0.091 0.000 1.148 402 P CA 1.150 64.258 63.100 0.014 0.000 0.822 402 P CB 0.142 31.830 31.700 -0.021 0.000 0.784 403 T N -0.692 113.943 114.554 0.134 0.000 2.897 403 T HA -0.131 4.219 4.350 0.000 0.000 0.271 403 T C 1.319 176.102 174.700 0.139 0.000 1.084 403 T CA 1.223 63.478 62.100 0.259 0.000 1.123 403 T CB -0.359 68.708 68.868 0.332 0.000 0.865 403 T HN 0.261 nan 8.240 nan 0.000 0.496 404 E N 0.051 120.310 120.200 0.097 0.000 2.330 404 E HA 0.084 4.434 4.350 0.000 0.000 0.200 404 E C 2.163 178.769 176.600 0.010 0.000 0.922 404 E CA 0.168 56.595 56.400 0.044 0.000 0.935 404 E CB 0.135 29.880 29.700 0.075 0.000 0.917 404 E HN 0.474 nan 8.360 nan 0.000 0.491 405 E N 1.397 121.610 120.200 0.022 0.000 2.008 405 E HA -0.023 4.327 4.350 0.000 0.000 0.191 405 E C 0.685 177.282 176.600 -0.006 0.000 0.986 405 E CA 0.917 57.314 56.400 -0.004 0.000 0.807 405 E CB 0.186 29.882 29.700 -0.007 0.000 0.766 405 E HN 0.045 nan 8.360 nan 0.000 0.450 406 A N 1.126 123.958 122.820 0.019 0.000 3.216 406 A HA 0.392 4.712 4.320 0.000 0.000 0.321 406 A C -2.135 175.503 177.584 0.090 0.000 1.042 406 A CA -1.196 50.859 52.037 0.029 0.000 0.838 406 A CB 0.723 19.731 19.000 0.013 0.000 1.136 406 A HN -0.122 nan 8.150 nan 0.000 0.483 407 P HA -0.293 nan 4.420 nan 0.000 0.227 407 P C 1.369 178.921 177.300 0.421 0.000 1.141 407 P CA 1.663 64.924 63.100 0.269 0.000 0.964 407 P CB 0.161 31.902 31.700 0.068 0.000 0.784 408 I N -1.780 118.959 120.570 0.283 0.000 2.567 408 I HA -0.178 3.992 4.170 0.000 0.000 0.257 408 I C 2.129 178.321 176.117 0.125 0.000 1.184 408 I CA 1.136 62.563 61.300 0.212 0.000 1.451 408 I CB -0.847 37.253 38.000 0.167 0.000 1.089 408 I HN -0.064 nan 8.210 nan 0.000 0.441 409 L N -0.821 120.469 121.223 0.113 0.000 2.187 409 L HA -0.297 4.043 4.340 0.000 0.000 0.213 409 L C 2.444 179.370 176.870 0.093 0.000 1.100 409 L CA 1.643 56.523 54.840 0.068 0.000 0.765 409 L CB -0.948 41.127 42.059 0.027 0.000 0.904 409 L HN 0.445 nan 8.230 nan 0.000 0.437 410 H N 0.489 119.551 119.070 -0.013 0.000 2.290 410 H HA -0.175 4.381 4.556 0.000 0.000 0.298 410 H C 2.376 177.632 175.328 -0.120 0.000 1.087 410 H CA 1.573 57.571 56.048 -0.084 0.000 1.291 410 H CB 0.142 29.843 29.762 -0.103 0.000 1.369 410 H HN 0.198 nan 8.280 nan 0.000 0.492 411 L N 0.040 121.222 121.223 -0.068 0.000 2.131 411 L HA -0.156 4.184 4.340 0.000 0.000 0.210 411 L C 2.692 179.605 176.870 0.072 0.000 1.092 411 L CA 0.690 55.448 54.840 -0.137 0.000 0.759 411 L CB -0.363 41.517 42.059 -0.298 0.000 0.903 411 L HN 0.304 nan 8.230 nan 0.000 0.435 412 R N 0.481 121.044 120.500 0.104 0.000 2.062 412 R HA -0.002 4.338 4.340 0.000 0.000 0.229 412 R C 2.256 178.659 176.300 0.171 0.000 1.128 412 R CA 1.062 57.236 56.100 0.124 0.000 0.960 412 R CB -0.790 29.555 30.300 0.075 0.000 0.855 412 R HN 0.358 nan 8.270 nan 0.000 0.432 413 L N 0.748 122.081 121.223 0.183 0.000 2.191 413 L HA -0.151 4.189 4.340 0.000 0.000 0.212 413 L C 2.578 179.687 176.870 0.398 0.000 1.103 413 L CA 1.147 56.170 54.840 0.306 0.000 0.769 413 L CB -0.491 41.707 42.059 0.232 0.000 0.908 413 L HN 0.203 nan 8.230 nan 0.000 0.438 414 S N 0.228 116.159 115.700 0.386 0.000 2.359 414 S HA -0.250 4.220 4.470 0.000 0.000 0.223 414 S C 1.843 176.467 174.600 0.040 0.000 1.039 414 S CA 1.807 60.171 58.200 0.274 0.000 1.042 414 S CB -0.105 63.225 63.200 0.215 0.000 0.915 414 S HN 0.504 nan 8.310 nan 0.000 0.439 415 E N -0.653 119.614 120.200 0.112 0.000 2.208 415 E HA -0.059 4.291 4.350 0.000 0.000 0.193 415 E C 1.734 178.400 176.600 0.111 0.000 0.988 415 E CA 0.851 57.304 56.400 0.088 0.000 0.828 415 E CB -0.238 29.546 29.700 0.140 0.000 0.763 415 E HN 0.647 nan 8.360 nan 0.000 0.478 416 F N 1.506 121.463 119.950 0.012 0.000 2.075 416 F HA -0.189 4.338 4.527 0.000 0.000 0.297 416 F C 1.993 177.780 175.800 -0.022 0.000 1.113 416 F CA 1.109 59.113 58.000 0.006 0.000 1.218 416 F CB -0.433 38.582 39.000 0.025 0.000 0.984 416 F HN -0.236 nan 8.300 nan 0.000 0.472 417 V N 1.080 120.886 119.914 -0.179 0.000 3.186 417 V HA -0.182 3.938 4.120 0.000 0.000 0.270 417 V C 1.830 177.732 176.094 -0.321 0.000 1.149 417 V CA 1.511 63.607 62.300 -0.340 0.000 1.160 417 V CB -0.998 30.671 31.823 -0.256 0.000 0.758 417 V HN 0.305 nan 8.190 nan 0.000 0.516 418 R N -0.567 119.790 120.500 -0.237 0.000 2.393 418 R HA 0.158 4.498 4.340 0.000 0.000 0.244 418 R C 0.197 176.412 176.300 -0.142 0.000 0.920 418 R CA -0.035 55.951 56.100 -0.190 0.000 1.076 418 R CB 0.137 30.346 30.300 -0.152 0.000 1.119 418 R HN 0.311 nan 8.270 nan 0.000 0.524 419 D N 1.041 121.340 120.400 -0.169 0.000 2.772 419 D HA -0.156 4.484 4.640 0.000 0.000 0.233 419 D C -1.010 175.259 176.300 -0.051 0.000 1.143 419 D CA 0.864 54.792 54.000 -0.120 0.000 0.700 419 D CB -0.836 39.897 40.800 -0.113 0.000 1.076 419 D HN 0.227 nan 8.370 nan 0.000 0.430 420 L N -0.005 121.207 121.223 -0.019 0.000 2.292 420 L HA 0.381 4.721 4.340 0.000 0.000 0.284 420 L C 0.914 177.801 176.870 0.028 0.000 1.065 420 L CA -0.350 54.493 54.840 0.006 0.000 0.806 420 L CB 1.251 43.323 42.059 0.022 0.000 1.175 420 L HN -0.171 nan 8.230 nan 0.000 0.431 421 K N 3.563 123.963 120.400 0.001 0.000 2.207 421 K HA 0.452 4.772 4.320 0.000 0.000 0.255 421 K C -2.430 174.147 176.600 -0.040 0.000 0.941 421 K CA -1.901 54.382 56.287 -0.007 0.000 0.825 421 K CB 1.406 33.892 32.500 -0.023 0.000 1.119 421 K HN 0.238 nan 8.250 nan 0.000 0.430 422 P HA -0.069 nan 4.420 nan 0.000 0.259 422 P C -2.226 174.990 177.300 -0.139 0.000 1.163 422 P CA -0.476 62.593 63.100 -0.051 0.000 0.760 422 P CB -0.189 31.494 31.700 -0.028 0.000 0.762 423 P HA 0.032 nan 4.420 nan 0.000 0.272 423 P C -0.498 176.687 177.300 -0.192 0.000 1.240 423 P CA 0.068 63.051 63.100 -0.195 0.000 0.791 423 P CB 0.618 32.248 31.700 -0.116 0.000 0.978 424 H N 1.038 120.132 119.070 0.040 0.000 2.646 424 H HA 0.240 4.796 4.556 0.000 0.000 0.325 424 H C 0.814 176.162 175.328 0.033 0.000 1.075 424 H CA 0.017 56.051 56.048 -0.024 0.000 1.421 424 H CB 0.656 30.334 29.762 -0.139 0.000 1.461 424 H HN 0.261 nan 8.280 nan 0.000 0.525 425 R N 2.569 123.114 120.500 0.075 0.000 2.390 425 R HA 0.213 4.554 4.340 0.000 0.000 0.291 425 R C -0.463 175.842 176.300 0.010 0.000 1.070 425 R CA -0.221 55.926 56.100 0.078 0.000 1.014 425 R CB 0.613 30.927 30.300 0.024 0.000 1.007 425 R HN 0.485 nan 8.270 nan 0.000 0.466 426 Y N 0.406 120.592 120.300 -0.190 0.000 2.719 426 Y HA 0.168 4.718 4.550 0.000 0.000 0.335 426 Y C 1.383 177.341 175.900 0.097 0.000 1.198 426 Y CA -1.222 56.764 58.100 -0.190 0.000 1.274 426 Y CB 0.393 38.673 38.460 -0.301 0.000 1.500 426 Y HN 0.450 nan 8.280 nan 0.000 0.616 427 N N -0.425 118.734 118.700 0.765 0.000 2.520 427 N HA -0.112 4.628 4.740 0.000 0.000 0.185 427 N C -0.128 175.607 175.510 0.374 0.000 1.068 427 N CA 0.962 54.312 53.050 0.500 0.000 0.911 427 N CB -0.361 38.322 38.487 0.327 0.000 0.961 427 N HN 0.649 nan 8.380 nan 0.000 0.446 428 H N -3.081 116.090 119.070 0.168 0.000 2.528 428 H HA 0.571 5.127 4.556 0.000 0.000 0.256 428 H C 1.196 176.494 175.328 -0.050 0.000 1.204 428 H CA -0.390 55.671 56.048 0.022 0.000 0.955 428 H CB -0.061 29.662 29.762 -0.065 0.000 1.817 428 H HN 0.045 nan 8.280 nan 0.000 0.579 429 G N 1.222 109.969 108.800 -0.088 0.000 2.561 429 G HA2 -0.371 3.589 3.960 0.000 0.000 0.289 429 G HA3 -0.371 3.589 3.960 0.000 0.000 0.289 429 G C 0.104 174.869 174.900 -0.225 0.000 1.169 429 G CA 0.124 45.155 45.100 -0.114 0.000 0.980 429 G HN 0.548 nan 8.290 nan 0.000 0.550 430 T N 5.478 119.908 114.554 -0.206 0.000 2.884 430 T HA 0.510 4.860 4.350 0.000 0.000 0.298 430 T C -1.656 172.786 174.700 -0.430 0.000 0.998 430 T CA 0.203 62.166 62.100 -0.228 0.000 1.124 430 T CB 1.506 70.310 68.868 -0.106 0.000 0.931 430 T HN 0.657 nan 8.240 nan 0.000 0.531 431 P HA 0.059 nan 4.420 nan 0.000 0.268 431 P C 0.108 177.275 177.300 -0.221 0.000 1.205 431 P CA -0.205 62.566 63.100 -0.548 0.000 0.771 431 P CB 0.578 32.015 31.700 -0.439 0.000 0.858 432 F N 1.741 121.612 119.950 -0.132 0.000 2.179 432 F HA 0.164 4.691 4.527 0.000 0.000 0.292 432 F C 1.714 177.501 175.800 -0.022 0.000 1.089 432 F CA 0.442 58.411 58.000 -0.052 0.000 1.295 432 F CB -1.132 37.869 39.000 0.002 0.000 1.041 432 F HN 0.302 nan 8.300 nan 0.000 0.487 433 A N 0.269 123.198 122.820 0.183 0.000 2.399 433 A HA 0.429 4.749 4.320 0.000 0.000 0.327 433 A C -1.152 176.458 177.584 0.044 0.000 1.367 433 A CA -0.402 51.703 52.037 0.115 0.000 0.842 433 A CB -0.146 18.934 19.000 0.134 0.000 1.142 433 A HN 0.055 nan 8.150 nan 0.000 0.495 434 D N 3.410 123.825 120.400 0.024 0.000 2.485 434 D HA 0.199 4.839 4.640 0.000 0.000 0.221 434 D C 1.010 177.330 176.300 0.033 0.000 1.112 434 D CA -0.507 53.499 54.000 0.011 0.000 0.911 434 D CB 0.403 41.185 40.800 -0.030 0.000 1.019 434 D HN 0.300 nan 8.370 nan 0.000 0.516 435 L N 2.797 124.049 121.223 0.048 0.000 2.357 435 L HA -0.203 4.137 4.340 0.000 0.000 0.220 435 L C 2.015 178.906 176.870 0.035 0.000 1.123 435 L CA 1.406 56.273 54.840 0.045 0.000 0.782 435 L CB -0.699 41.391 42.059 0.051 0.000 0.910 435 L HN 0.673 nan 8.230 nan 0.000 0.442 436 Q N 0.129 119.949 119.800 0.032 0.000 2.234 436 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 436 Q C 0.615 176.621 176.000 0.010 0.000 0.980 436 Q CA 0.844 56.658 55.803 0.019 0.000 0.869 436 Q CB 0.146 28.889 28.738 0.009 0.000 0.912 436 Q HN 0.457 nan 8.270 nan 0.000 0.436 437 I N 2.645 123.225 120.570 0.017 0.000 2.312 437 I HA 0.228 4.398 4.170 0.000 0.000 0.290 437 I C -0.421 175.709 176.117 0.021 0.000 1.008 437 I CA -0.649 60.661 61.300 0.018 0.000 1.226 437 I CB 1.256 39.275 38.000 0.032 0.000 1.371 437 I HN -0.102 nan 8.210 nan 0.000 0.468 438 K N 5.564 125.969 120.400 0.008 0.000 2.110 438 K HA 0.313 4.633 4.320 0.000 0.000 0.263 438 K C -0.187 176.417 176.600 0.007 0.000 0.975 438 K CA -0.656 55.636 56.287 0.009 0.000 0.895 438 K CB 1.678 34.177 32.500 -0.002 0.000 1.060 438 K HN 0.542 nan 8.250 nan 0.000 0.448 439 E N 1.919 122.129 120.200 0.018 0.000 2.366 439 E HA -0.037 4.313 4.350 0.000 0.000 0.266 439 E C -0.596 176.006 176.600 0.003 0.000 1.015 439 E CA 0.160 56.572 56.400 0.021 0.000 0.906 439 E CB 0.254 29.976 29.700 0.036 0.000 0.979 439 E HN 0.391 nan 8.360 nan 0.000 0.443 440 R N 3.297 123.792 120.500 -0.008 0.000 3.076 440 R HA -0.172 4.168 4.340 0.000 0.000 0.261 440 R C -0.695 175.579 176.300 -0.043 0.000 0.930 440 R CA 0.347 56.432 56.100 -0.025 0.000 0.649 440 R CB -1.017 29.276 30.300 -0.011 0.000 1.350 440 R HN 0.603 nan 8.270 nan 0.000 0.453 441 M N 2.492 122.053 119.600 -0.064 0.000 2.288 441 M HA 0.400 4.880 4.480 0.000 0.000 0.334 441 M C -1.475 174.757 176.300 -0.112 0.000 1.150 441 M CA -1.613 53.639 55.300 -0.080 0.000 1.118 441 M CB 0.685 33.232 32.600 -0.088 0.000 1.501 441 M HN 0.112 nan 8.290 nan 0.000 0.462 442 P HA 0.302 nan 4.420 nan 0.000 0.285 442 P C -1.411 175.781 177.300 -0.181 0.000 1.259 442 P CA -0.331 62.693 63.100 -0.126 0.000 0.794 442 P CB 0.718 32.364 31.700 -0.091 0.000 0.940 443 R N 2.501 122.863 120.500 -0.230 0.000 2.312 443 R HA 0.386 4.726 4.340 0.000 0.000 0.311 443 R C 0.414 176.582 176.300 -0.220 0.000 1.004 443 R CA -0.706 55.204 56.100 -0.316 0.000 0.902 443 R CB 1.452 31.429 30.300 -0.539 0.000 1.073 443 R HN 0.413 nan 8.270 nan 0.000 0.457 444 R N 1.062 121.435 120.500 -0.212 0.000 2.234 444 R HA 0.076 4.416 4.340 0.000 0.000 0.324 444 R C 0.766 177.007 176.300 -0.099 0.000 1.054 444 R CA -0.055 55.957 56.100 -0.146 0.000 0.912 444 R CB 0.859 31.062 30.300 -0.161 0.000 1.030 444 R HN 0.719 nan 8.270 nan 0.000 0.455 445 T N -2.459 112.063 114.554 -0.053 0.000 3.081 445 T HA -0.066 4.284 4.350 0.000 0.000 0.250 445 T C 0.866 175.574 174.700 0.013 0.000 1.100 445 T CA 0.195 62.288 62.100 -0.011 0.000 1.038 445 T CB 0.021 68.872 68.868 -0.028 0.000 0.962 445 T HN 0.602 nan 8.240 nan 0.000 0.516 446 D N 0.865 121.269 120.400 0.007 0.000 2.325 446 D HA 0.057 4.697 4.640 0.000 0.000 0.225 446 D C 1.177 177.560 176.300 0.139 0.000 1.096 446 D CA -0.039 53.986 54.000 0.042 0.000 0.844 446 D CB 0.104 40.897 40.800 -0.012 0.000 0.925 446 D HN 0.318 nan 8.370 nan 0.000 0.513 447 K N -0.161 120.335 120.400 0.159 0.000 2.387 447 K HA 0.221 4.541 4.320 0.000 0.000 0.203 447 K C -0.016 176.798 176.600 0.357 0.000 1.030 447 K CA -0.237 56.203 56.287 0.256 0.000 1.099 447 K CB 0.633 33.020 32.500 -0.189 0.000 0.863 447 K HN 0.106 nan 8.250 nan 0.000 0.529 448 M N 0.389 120.183 119.600 0.324 0.000 2.413 448 M HA 0.435 4.915 4.480 0.000 0.000 0.287 448 M C -2.216 174.139 176.300 0.090 0.000 1.186 448 M CA -0.544 54.757 55.300 0.003 0.000 0.927 448 M CB 2.273 34.920 32.600 0.079 0.000 1.715 448 M HN -0.048 nan 8.290 nan 0.000 0.478 449 A N 4.774 127.550 122.820 -0.073 0.000 2.335 449 A HA 0.757 5.077 4.320 0.000 0.000 0.304 449 A C -1.936 175.513 177.584 -0.225 0.000 1.118 449 A CA -0.646 51.385 52.037 -0.010 0.000 0.757 449 A CB 1.374 20.563 19.000 0.314 0.000 1.188 449 A HN 0.707 nan 8.150 nan 0.000 0.460 450 L N 2.558 123.547 121.223 -0.389 0.000 2.322 450 L HA 0.697 5.037 4.340 0.000 0.000 0.281 450 L C -1.594 174.889 176.870 -0.644 0.000 1.014 450 L CA -0.295 54.326 54.840 -0.366 0.000 0.815 450 L CB 1.149 43.087 42.059 -0.202 0.000 1.247 450 L HN 0.675 nan 8.230 nan 0.000 0.421 451 F N 2.951 122.918 119.950 0.028 0.000 2.612 451 F HA 0.708 5.235 4.527 0.000 0.000 0.332 451 F C 0.151 176.059 175.800 0.179 0.000 1.167 451 F CA -0.579 57.477 58.000 0.093 0.000 0.970 451 F CB 1.888 40.895 39.000 0.011 0.000 1.234 451 F HN 0.494 nan 8.300 nan 0.000 0.453 452 A N 3.846 126.780 122.820 0.190 0.000 2.606 452 A HA 0.736 5.056 4.320 0.000 0.000 0.293 452 A C -2.524 174.691 177.584 -0.616 0.000 1.082 452 A CA -1.426 50.480 52.037 -0.219 0.000 0.685 452 A CB 1.658 20.403 19.000 -0.425 0.000 1.284 452 A HN 0.332 nan 8.150 nan 0.000 0.408 453 P HA 0.044 nan 4.420 nan 0.000 0.261 453 P C -0.756 176.511 177.300 -0.054 0.000 1.297 453 P CA 1.282 64.122 63.100 -0.434 0.000 0.757 453 P CB -0.908 30.669 31.700 -0.205 0.000 1.149 454 Y N -4.382 115.843 120.300 -0.125 0.000 2.662 454 Y HA 0.417 4.967 4.550 0.000 0.000 0.334 454 Y C -0.302 175.395 175.900 -0.339 0.000 1.185 454 Y CA -2.066 55.929 58.100 -0.174 0.000 1.074 454 Y CB 0.378 38.900 38.460 0.103 0.000 1.330 454 Y HN -0.389 nan 8.280 nan 0.000 0.458 455 R N 2.357 122.570 120.500 -0.480 0.000 2.630 455 R HA 0.521 4.861 4.340 0.000 0.000 0.286 455 R C -0.022 176.285 176.300 0.012 0.000 1.391 455 R CA 0.463 56.389 56.100 -0.289 0.000 1.027 455 R CB -0.587 29.502 30.300 -0.351 0.000 1.099 455 R HN 0.848 nan 8.270 nan 0.000 0.525 456 A N 5.403 128.235 122.820 0.019 0.000 2.406 456 A HA 0.202 4.522 4.320 0.000 0.000 0.243 456 A C -1.607 175.978 177.584 0.002 0.000 1.082 456 A CA -1.291 50.807 52.037 0.101 0.000 0.786 456 A CB 0.275 19.223 19.000 -0.086 0.000 1.029 456 A HN 0.532 nan 8.150 nan 0.000 0.495 457 P HA -0.127 nan 4.420 nan 0.000 0.214 457 P C 0.768 177.889 177.300 -0.299 0.000 1.163 457 P CA 1.096 64.143 63.100 -0.088 0.000 0.883 457 P CB -0.092 31.609 31.700 0.002 0.000 0.788 458 L N -1.944 119.030 121.223 -0.414 0.000 2.749 458 L HA 0.056 4.396 4.340 0.000 0.000 0.245 458 L C 2.132 178.791 176.870 -0.352 0.000 1.156 458 L CA 1.056 55.519 54.840 -0.628 0.000 0.890 458 L CB -1.151 40.544 42.059 -0.607 0.000 1.036 458 L HN -0.020 nan 8.230 nan 0.000 0.441 459 M N -0.902 118.577 119.600 -0.203 0.000 2.558 459 M HA -0.068 4.412 4.480 0.000 0.000 0.255 459 M C 2.054 178.383 176.300 0.048 0.000 1.113 459 M CA 0.827 56.113 55.300 -0.024 0.000 1.097 459 M CB 0.191 32.793 32.600 0.004 0.000 1.426 459 M HN 0.035 nan 8.290 nan 0.000 0.488 460 K N -0.204 120.136 120.400 -0.101 0.000 2.097 460 K HA -0.118 4.202 4.320 0.000 0.000 0.205 460 K C 0.603 177.317 176.600 0.190 0.000 1.050 460 K CA 1.347 57.636 56.287 0.004 0.000 0.938 460 K CB -0.042 32.407 32.500 -0.086 0.000 0.718 460 K HN 0.418 nan 8.250 nan 0.000 0.442 461 W N 0.467 121.731 121.300 -0.059 0.000 3.400 461 W HA 0.461 5.121 4.660 0.000 0.000 0.347 461 W C -0.447 176.011 176.519 -0.102 0.000 1.218 461 W CA -0.955 56.344 57.345 -0.077 0.000 1.837 461 W CB -1.173 28.245 29.460 -0.070 0.000 1.067 461 W HN -0.064 nan 8.180 nan 0.000 0.701 462 A N 0.176 123.007 122.820 0.017 0.000 2.304 462 A HA 0.743 5.063 4.320 0.000 0.000 0.314 462 A C 0.887 178.194 177.584 -0.461 0.000 1.187 462 A CA 0.085 52.044 52.037 -0.130 0.000 0.810 462 A CB 1.282 20.217 19.000 -0.108 0.000 1.183 462 A HN 0.068 nan 8.150 nan 0.000 0.487 463 A N 2.914 125.556 122.820 -0.297 0.000 1.943 463 A HA 0.283 4.603 4.320 0.000 0.000 0.213 463 A C 0.771 178.178 177.584 -0.296 0.000 1.181 463 A CA 0.728 52.567 52.037 -0.331 0.000 0.653 463 A CB -0.054 18.880 19.000 -0.111 0.000 0.833 463 A HN 0.724 nan 8.150 nan 0.000 0.451 464 I N 2.265 122.762 120.570 -0.122 0.000 2.276 464 I HA 0.239 4.409 4.170 0.000 0.000 0.290 464 I C -0.558 175.506 176.117 -0.088 0.000 1.109 464 I CA 0.023 61.326 61.300 0.004 0.000 1.229 464 I CB -1.441 36.626 38.000 0.113 0.000 1.452 464 I HN 0.539 nan 8.210 nan 0.000 0.497 465 H N 2.829 121.787 119.070 -0.188 0.000 3.018 465 H HA 0.669 5.225 4.556 0.000 0.000 0.334 465 H C -1.152 174.068 175.328 -0.180 0.000 0.983 465 H CA -0.761 55.098 56.048 -0.315 0.000 1.363 465 H CB 2.273 31.923 29.762 -0.187 0.000 1.668 465 H HN 0.302 nan 8.280 nan 0.000 0.513 466 E N 3.247 123.372 120.200 -0.125 0.000 2.248 466 E HA 0.246 4.596 4.350 0.000 0.000 0.267 466 E C -0.824 175.896 176.600 0.201 0.000 0.877 466 E CA -1.029 55.452 56.400 0.134 0.000 0.759 466 E CB 3.261 33.214 29.700 0.422 0.000 1.182 466 E HN 0.479 nan 8.360 nan 0.000 0.418 467 V N 5.905 125.859 119.914 0.066 0.000 2.432 467 V HA 0.227 4.347 4.120 0.000 0.000 0.275 467 V C 0.570 176.729 176.094 0.108 0.000 1.043 467 V CA -0.289 62.022 62.300 0.019 0.000 0.925 467 V CB 0.641 32.408 31.823 -0.093 0.000 0.985 467 V HN 0.613 nan 8.190 nan 0.000 0.466 468 H N 5.710 124.786 119.070 0.010 0.000 3.605 468 H HA 0.682 5.238 4.556 0.000 0.000 0.307 468 H C -0.527 174.788 175.328 -0.022 0.000 1.692 468 H CA -1.214 54.831 56.048 -0.005 0.000 1.453 468 H CB 0.964 30.715 29.762 -0.019 0.000 1.511 468 H HN 0.517 nan 8.280 nan 0.000 0.809 469 R N 0.175 120.724 120.500 0.081 0.000 2.668 469 R HA 0.449 4.790 4.340 0.000 0.000 0.279 469 R C -3.084 173.159 176.300 -0.095 0.000 0.976 469 R CA -2.113 53.966 56.100 -0.035 0.000 0.978 469 R CB 0.426 30.725 30.300 -0.002 0.000 1.133 469 R HN 0.280 nan 8.270 nan 0.000 0.484 470 P HA 0.025 nan 4.420 nan 0.000 0.264 470 P C 0.199 177.337 177.300 -0.270 0.000 1.183 470 P CA 1.063 63.863 63.100 -0.500 0.000 0.763 470 P CB 0.316 31.660 31.700 -0.593 0.000 0.807 471 G N 2.524 111.172 108.800 -0.254 0.000 2.386 471 G HA2 -0.276 3.684 3.960 0.000 0.000 0.295 471 G HA3 -0.276 3.684 3.960 0.000 0.000 0.295 471 G C 0.289 175.166 174.900 -0.039 0.000 0.979 471 G CA 0.494 45.539 45.100 -0.092 0.000 1.193 471 G HN 0.699 nan 8.290 nan 0.000 0.508 472 E N -0.828 119.366 120.200 -0.010 0.000 3.083 472 E HA 0.082 4.432 4.350 0.000 0.000 0.168 472 E C 1.595 178.142 176.600 -0.088 0.000 0.934 472 E CA 0.254 56.640 56.400 -0.024 0.000 1.361 472 E CB 0.104 29.806 29.700 0.003 0.000 1.032 472 E HN 0.438 nan 8.360 nan 0.000 0.447 473 E N 0.785 120.932 120.200 -0.088 0.000 2.274 473 E HA -0.166 4.184 4.350 0.000 0.000 0.194 473 E C 1.709 178.201 176.600 -0.180 0.000 0.996 473 E CA 0.456 56.743 56.400 -0.188 0.000 0.840 473 E CB -0.141 29.512 29.700 -0.078 0.000 0.772 473 E HN 0.431 nan 8.360 nan 0.000 0.491 474 R N 1.762 122.193 120.500 -0.116 0.000 2.088 474 R HA -0.122 4.218 4.340 0.000 0.000 0.232 474 R C 2.079 178.299 176.300 -0.134 0.000 1.136 474 R CA 1.397 57.435 56.100 -0.103 0.000 0.926 474 R CB -0.801 29.460 30.300 -0.066 0.000 0.837 474 R HN 0.113 nan 8.270 nan 0.000 0.429 475 E N 0.549 120.671 120.200 -0.130 0.000 2.136 475 E HA -0.256 4.094 4.350 0.000 0.000 0.208 475 E C 1.999 178.486 176.600 -0.188 0.000 1.035 475 E CA 1.997 58.315 56.400 -0.137 0.000 0.838 475 E CB -0.291 29.334 29.700 -0.125 0.000 0.748 475 E HN 0.263 nan 8.360 nan 0.000 0.459 476 I N 0.350 120.757 120.570 -0.271 0.000 2.099 476 I HA -0.277 3.893 4.170 0.000 0.000 0.239 476 I C 2.297 178.235 176.117 -0.298 0.000 1.066 476 I CA 1.283 62.358 61.300 -0.375 0.000 1.324 476 I CB -0.540 37.112 38.000 -0.580 0.000 1.037 476 I HN 0.065 nan 8.210 nan 0.000 0.401 477 L N -0.692 120.383 121.223 -0.247 0.000 2.079 477 L HA -0.220 4.120 4.340 0.000 0.000 0.210 477 L C 2.449 179.221 176.870 -0.163 0.000 1.081 477 L CA 1.351 56.070 54.840 -0.202 0.000 0.752 477 L CB -0.726 41.239 42.059 -0.156 0.000 0.896 477 L HN 0.231 nan 8.230 nan 0.000 0.433 478 L N -0.752 120.388 121.223 -0.138 0.000 1.971 478 L HA -0.338 4.002 4.340 0.000 0.000 0.215 478 L C 2.727 179.536 176.870 -0.103 0.000 1.072 478 L CA 1.713 56.491 54.840 -0.104 0.000 0.758 478 L CB -0.456 41.549 42.059 -0.090 0.000 0.889 478 L HN 0.336 nan 8.230 nan 0.000 0.433 479 A N -0.140 122.609 122.820 -0.118 0.000 1.873 479 A HA -0.268 4.052 4.320 0.000 0.000 0.218 479 A C 2.133 179.659 177.584 -0.096 0.000 1.193 479 A CA 2.060 54.036 52.037 -0.101 0.000 0.629 479 A CB -1.061 17.866 19.000 -0.122 0.000 0.826 479 A HN 0.507 nan 8.150 nan 0.000 0.447 480 L N -0.795 120.347 121.223 -0.135 0.000 2.137 480 L HA -0.256 4.084 4.340 0.000 0.000 0.213 480 L C 2.547 179.347 176.870 -0.116 0.000 1.085 480 L CA 1.311 56.069 54.840 -0.136 0.000 0.760 480 L CB -0.659 41.269 42.059 -0.217 0.000 0.893 480 L HN 0.416 nan 8.230 nan 0.000 0.434 481 L N -0.768 120.390 121.223 -0.108 0.000 2.141 481 L HA -0.059 4.281 4.340 0.000 0.000 0.209 481 L C 1.625 178.476 176.870 -0.031 0.000 1.094 481 L CA 1.083 55.880 54.840 -0.072 0.000 0.763 481 L CB -0.491 41.527 42.059 -0.068 0.000 0.908 481 L HN 0.548 nan 8.230 nan 0.000 0.437 482 G N -1.142 107.638 108.800 -0.034 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 0.312 175.201 174.900 -0.019 0.000 1.000 482 G CA 0.105 45.196 45.100 -0.015 0.000 0.664 482 G HN 0.278 nan 8.290 nan 0.000 0.513 483 D N 0.050 120.432 120.400 -0.030 0.000 2.339 483 D HA 0.199 4.839 4.640 0.000 0.000 0.217 483 D C 1.179 177.461 176.300 -0.030 0.000 1.050 483 D CA 0.837 54.821 54.000 -0.027 0.000 0.856 483 D CB 0.514 41.296 40.800 -0.030 0.000 0.922 483 D HN 0.318 nan 8.370 nan 0.000 0.518 484 K N 0.119 120.497 120.400 -0.035 0.000 0.000 484 K HA 0.297 4.617 4.320 0.000 0.000 0.000 484 K C -0.541 176.037 176.600 -0.037 0.000 0.000 484 K CA -0.533 55.732 56.287 -0.036 0.000 0.000 484 K CB 1.595 34.069 32.500 -0.044 0.000 0.000 484 K HN -0.131 nan 8.250 nan 0.000 0.000 485 E N -0.260 119.919 120.200 -0.035 0.000 2.280 485 E HA 0.698 5.048 4.350 0.000 0.000 0.261 485 E C 0.093 176.665 176.600 -0.047 0.000 1.088 485 E CA -0.911 55.470 56.400 -0.033 0.000 0.915 485 E CB 1.103 30.789 29.700 -0.024 0.000 1.141 485 E HN 0.646 nan 8.360 nan 0.000 0.433 486 G N -0.035 108.739 108.800 -0.043 0.000 2.550 486 G HA2 0.311 4.271 3.960 0.000 0.000 0.293 486 G HA3 0.311 4.271 3.960 0.000 0.000 0.293 486 G C -0.841 174.037 174.900 -0.037 0.000 1.402 486 G CA -0.569 44.495 45.100 -0.060 0.000 0.784 486 G HN 0.520 nan 8.290 nan 0.000 0.482 487 S N -0.523 115.154 115.700 -0.040 0.000 2.566 487 S HA 0.140 4.610 4.470 0.000 0.000 0.280 487 S C 1.163 175.780 174.600 0.029 0.000 1.343 487 S CA 0.994 59.196 58.200 0.002 0.000 1.036 487 S CB 1.008 64.221 63.200 0.022 0.000 0.866 487 S HN 0.717 nan 8.310 nan 0.000 0.526 488 E N 1.539 121.767 120.200 0.046 0.000 2.068 488 E HA -0.248 4.102 4.350 0.000 0.000 0.207 488 E C 2.084 178.740 176.600 0.094 0.000 1.032 488 E CA 1.950 58.385 56.400 0.058 0.000 0.839 488 E CB -0.340 29.396 29.700 0.059 0.000 0.758 488 E HN 0.659 nan 8.360 nan 0.000 0.457 489 M N 0.529 120.216 119.600 0.144 0.000 2.088 489 M HA -0.183 4.297 4.480 0.000 0.000 0.256 489 M C 2.605 179.077 176.300 0.286 0.000 1.071 489 M CA 1.319 56.764 55.300 0.242 0.000 1.097 489 M CB -1.240 31.571 32.600 0.352 0.000 1.315 489 M HN 0.067 nan 8.290 nan 0.000 0.406 490 V N 0.700 120.723 119.914 0.181 0.000 2.370 490 V HA -0.303 3.817 4.120 0.000 0.000 0.252 490 V C 2.764 178.892 176.094 0.058 0.000 1.068 490 V CA 2.029 64.332 62.300 0.004 0.000 1.061 490 V CB -1.725 29.984 31.823 -0.190 0.000 0.656 490 V HN 0.535 nan 8.190 nan 0.000 0.455 491 A N -0.165 122.690 122.820 0.058 0.000 1.855 491 A HA -0.206 4.114 4.320 0.000 0.000 0.215 491 A C 2.310 179.939 177.584 0.076 0.000 1.191 491 A CA 1.871 53.937 52.037 0.050 0.000 0.613 491 A CB -0.471 18.551 19.000 0.036 0.000 0.829 491 A HN 0.526 nan 8.150 nan 0.000 0.442 492 K N -0.192 120.265 120.400 0.096 0.000 2.152 492 K HA -0.125 4.195 4.320 0.000 0.000 0.206 492 K C 2.228 178.891 176.600 0.106 0.000 1.048 492 K CA 1.120 57.457 56.287 0.084 0.000 0.933 492 K CB -0.325 32.230 32.500 0.091 0.000 0.721 492 K HN 0.469 nan 8.250 nan 0.000 0.447 493 A N 1.860 124.799 122.820 0.198 0.000 1.873 493 A HA -0.209 4.111 4.320 0.000 0.000 0.215 493 A C 2.068 179.791 177.584 0.231 0.000 1.186 493 A CA 1.761 53.972 52.037 0.290 0.000 0.616 493 A CB -0.343 18.931 19.000 0.457 0.000 0.823 493 A HN 0.146 nan 8.150 nan 0.000 0.442 494 K N 0.435 120.928 120.400 0.156 0.000 1.991 494 K HA -0.191 4.129 4.320 0.000 0.000 0.212 494 K C 1.926 178.609 176.600 0.137 0.000 1.049 494 K CA 2.244 58.614 56.287 0.139 0.000 0.932 494 K CB -0.525 32.015 32.500 0.068 0.000 0.717 494 K HN 0.524 nan 8.250 nan 0.000 0.441 495 E N -0.830 119.415 120.200 0.074 0.000 2.209 495 E HA -0.205 4.145 4.350 0.000 0.000 0.196 495 E C 1.580 178.170 176.600 -0.017 0.000 0.993 495 E CA 1.028 57.446 56.400 0.030 0.000 0.819 495 E CB -0.139 29.567 29.700 0.011 0.000 0.745 495 E HN 0.464 nan 8.360 nan 0.000 0.477 496 A N 1.500 124.293 122.820 -0.045 0.000 1.843 496 A HA -0.159 4.161 4.320 0.000 0.000 0.213 496 A C 1.993 179.449 177.584 -0.213 0.000 1.202 496 A CA 0.948 52.828 52.037 -0.262 0.000 0.607 496 A CB -1.305 17.409 19.000 -0.477 0.000 0.847 496 A HN 0.679 nan 8.150 nan 0.000 0.445 497 W N 1.418 122.648 121.300 -0.117 0.000 2.308 497 W HA -0.205 4.455 4.660 0.000 0.000 0.301 497 W C 1.562 178.093 176.519 0.021 0.000 1.220 497 W CA 2.315 59.699 57.345 0.063 0.000 1.240 497 W CB -0.144 29.406 29.460 0.149 0.000 1.142 497 W HN 0.433 nan 8.180 nan 0.000 0.521 498 E N 0.414 120.685 120.200 0.118 0.000 2.110 498 E HA -0.189 4.161 4.350 0.000 0.000 0.193 498 E C 1.923 178.482 176.600 -0.068 0.000 0.988 498 E CA 1.453 57.877 56.400 0.040 0.000 0.804 498 E CB -0.520 29.228 29.700 0.080 0.000 0.745 498 E HN 0.443 nan 8.360 nan 0.000 0.458 499 K N 0.517 120.857 120.400 -0.099 0.000 2.305 499 K HA 0.135 4.455 4.320 0.000 0.000 0.199 499 K C 0.880 177.399 176.600 -0.136 0.000 1.047 499 K CA 0.285 56.507 56.287 -0.108 0.000 0.976 499 K CB 0.255 32.688 32.500 -0.111 0.000 0.765 499 K HN -0.050 nan 8.250 nan 0.000 0.474 500 A N 1.875 124.578 122.820 -0.196 0.000 2.450 500 A HA 0.074 4.394 4.320 0.000 0.000 0.255 500 A C 0.397 177.867 177.584 -0.190 0.000 1.096 500 A CA -0.251 51.676 52.037 -0.183 0.000 0.778 500 A CB 0.447 19.328 19.000 -0.197 0.000 1.031 500 A HN 0.072 nan 8.150 nan 0.000 0.494 501 K N 1.812 122.143 120.400 -0.115 0.000 1.991 501 K HA 0.048 4.368 4.320 0.000 0.000 0.208 501 K C 0.366 176.900 176.600 -0.110 0.000 1.038 501 K CA 1.180 57.410 56.287 -0.095 0.000 0.943 501 K CB 0.069 32.539 32.500 -0.051 0.000 0.736 501 K HN 0.562 nan 8.250 nan 0.000 0.440 502 N N 1.789 120.444 118.700 -0.074 0.000 2.976 502 N HA 0.252 4.992 4.740 0.000 0.000 0.255 502 N C -2.686 172.790 175.510 -0.057 0.000 1.312 502 N CA -1.161 51.851 53.050 -0.063 0.000 0.897 502 N CB 1.341 39.816 38.487 -0.020 0.000 1.184 502 N HN 0.152 nan 8.380 nan 0.000 0.497 503 P HA 0.382 nan 4.420 nan 0.000 0.284 503 P C -0.555 176.715 177.300 -0.051 0.000 1.287 503 P CA -0.467 62.572 63.100 -0.101 0.000 0.824 503 P CB 2.087 33.632 31.700 -0.259 0.000 1.180 504 V N 0.652 120.577 119.914 0.018 0.000 2.735 504 V HA 0.317 4.437 4.120 0.000 0.000 0.310 504 V C -0.132 176.063 176.094 0.168 0.000 1.061 504 V CA -0.804 61.536 62.300 0.067 0.000 0.913 504 V CB 1.878 33.663 31.823 -0.063 0.000 1.005 504 V HN 0.401 nan 8.190 nan 0.000 0.428 505 L N 5.419 126.769 121.223 0.212 0.000 2.282 505 L HA 0.659 4.999 4.340 0.000 0.000 0.288 505 L C -0.665 176.202 176.870 -0.005 0.000 1.033 505 L CA 0.255 55.183 54.840 0.145 0.000 0.807 505 L CB 0.998 43.134 42.059 0.128 0.000 1.209 505 L HN 0.536 nan 8.230 nan 0.000 0.423 506 I N 6.570 127.112 120.570 -0.048 0.000 2.406 506 I HA 0.501 4.671 4.170 0.000 0.000 0.290 506 I C -1.135 174.924 176.117 -0.098 0.000 0.999 506 I CA -0.749 60.496 61.300 -0.091 0.000 1.124 506 I CB 1.562 39.504 38.000 -0.097 0.000 1.289 506 I HN 0.475 nan 8.210 nan 0.000 0.441 507 L N 3.541 124.678 121.223 -0.144 0.000 2.568 507 L HA 0.959 5.299 4.340 0.000 0.000 0.257 507 L C 0.055 176.835 176.870 -0.150 0.000 1.024 507 L CA -0.424 54.334 54.840 -0.138 0.000 0.854 507 L CB 1.388 43.338 42.059 -0.182 0.000 1.460 507 L HN 0.595 nan 8.230 nan 0.000 0.409 508 G N -1.297 107.444 108.800 -0.098 0.000 3.732 508 G HA2 0.385 4.345 3.960 0.000 0.000 0.165 508 G HA3 0.385 4.345 3.960 0.000 0.000 0.165 508 G C 0.635 175.512 174.900 -0.038 0.000 1.337 508 G CA 0.931 45.984 45.100 -0.079 0.000 0.830 508 G HN 0.961 nan 8.290 nan 0.000 0.771 509 A N 0.994 123.811 122.820 -0.005 0.000 1.850 509 A HA 0.457 4.777 4.320 0.000 0.000 0.212 509 A C 2.351 179.948 177.584 0.022 0.000 1.208 509 A CA 1.931 53.989 52.037 0.034 0.000 0.609 509 A CB -0.908 18.162 19.000 0.117 0.000 0.860 509 A HN 0.951 nan 8.150 nan 0.000 0.448 510 G N -0.301 108.513 108.800 0.023 0.000 3.135 510 G HA2 0.216 4.176 3.960 0.000 0.000 0.208 510 G HA3 0.216 4.176 3.960 0.000 0.000 0.208 510 G C 0.727 175.621 174.900 -0.009 0.000 1.212 510 G CA 0.697 45.799 45.100 0.002 0.000 0.928 510 G HN 0.277 nan 8.290 nan 0.000 0.500 511 V N -0.298 119.606 119.914 -0.016 0.000 3.573 511 V HA 0.094 4.214 4.120 0.000 0.000 0.270 511 V C 1.902 178.003 176.094 0.012 0.000 1.221 511 V CA 0.469 62.778 62.300 0.016 0.000 1.163 511 V CB 0.197 32.015 31.823 -0.009 0.000 0.847 511 V HN 0.331 nan 8.190 nan 0.000 0.468 512 L N -0.087 121.096 121.223 -0.066 0.000 2.640 512 L HA 0.341 4.681 4.340 0.000 0.000 0.230 512 L C 0.961 177.715 176.870 -0.193 0.000 1.123 512 L CA 0.966 55.695 54.840 -0.184 0.000 0.900 512 L CB 0.075 41.893 42.059 -0.402 0.000 1.146 512 L HN 0.243 nan 8.230 nan 0.000 0.484 513 Q N 0.123 119.880 119.800 -0.073 0.000 2.851 513 Q HA 0.110 4.450 4.340 0.000 0.000 0.331 513 Q C 0.727 176.736 176.000 0.015 0.000 0.979 513 Q CA -0.083 55.709 55.803 -0.019 0.000 0.955 513 Q CB 0.767 29.496 28.738 -0.015 0.000 1.298 513 Q HN 0.455 nan 8.270 nan 0.000 0.432 514 D N -0.262 120.156 120.400 0.031 0.000 2.200 514 D HA -0.299 4.341 4.640 0.000 0.000 0.192 514 D C 1.345 177.658 176.300 0.022 0.000 1.008 514 D CA 2.155 56.178 54.000 0.037 0.000 0.872 514 D CB -0.169 40.654 40.800 0.038 0.000 0.923 514 D HN 0.353 nan 8.370 nan 0.000 0.447 515 T N -0.268 114.298 114.554 0.019 0.000 2.680 515 T HA -0.214 4.136 4.350 0.000 0.000 0.268 515 T C 2.062 176.760 174.700 -0.004 0.000 1.033 515 T CA 2.772 64.876 62.100 0.006 0.000 1.152 515 T CB -0.347 68.526 68.868 0.008 0.000 0.859 515 T HN 0.200 nan 8.240 nan 0.000 0.452 516 V N 1.294 121.209 119.914 0.001 0.000 2.374 516 V HA 0.232 4.352 4.120 0.000 0.000 0.241 516 V C 3.120 179.227 176.094 0.023 0.000 1.034 516 V CA 1.222 63.518 62.300 -0.006 0.000 1.037 516 V CB -1.461 30.353 31.823 -0.015 0.000 0.682 516 V HN 0.568 nan 8.190 nan 0.000 0.463 517 A N 0.607 123.466 122.820 0.064 0.000 1.986 517 A HA -0.214 4.106 4.320 0.000 0.000 0.220 517 A C 2.415 180.038 177.584 0.064 0.000 1.171 517 A CA 2.360 54.490 52.037 0.156 0.000 0.640 517 A CB -0.859 18.266 19.000 0.209 0.000 0.811 517 A HN 0.618 nan 8.150 nan 0.000 0.451 518 A N 0.812 123.635 122.820 0.006 0.000 1.892 518 A HA -0.258 4.062 4.320 0.000 0.000 0.218 518 A C 1.970 179.523 177.584 -0.051 0.000 1.188 518 A CA 1.940 53.953 52.037 -0.041 0.000 0.631 518 A CB -0.696 18.287 19.000 -0.029 0.000 0.822 518 A HN 0.814 nan 8.150 nan 0.000 0.447 519 E N -0.641 119.540 120.200 -0.032 0.000 2.299 519 E HA -0.093 4.257 4.350 0.000 0.000 0.193 519 E C 2.009 178.588 176.600 -0.034 0.000 0.998 519 E CA 0.451 56.825 56.400 -0.043 0.000 0.851 519 E CB -0.288 29.381 29.700 -0.052 0.000 0.795 519 E HN 0.599 nan 8.360 nan 0.000 0.492 520 R N 1.192 121.707 120.500 0.024 0.000 2.083 520 R HA -0.136 4.204 4.340 0.000 0.000 0.237 520 R C 2.522 178.884 176.300 0.103 0.000 1.137 520 R CA 1.602 57.768 56.100 0.111 0.000 0.951 520 R CB -0.517 29.993 30.300 0.350 0.000 0.851 520 R HN 0.253 nan 8.270 nan 0.000 0.434 521 A N 1.360 124.159 122.820 -0.036 0.000 1.851 521 A HA -0.230 4.090 4.320 0.000 0.000 0.216 521 A C 2.161 179.700 177.584 -0.075 0.000 1.195 521 A CA 1.616 53.538 52.037 -0.191 0.000 0.622 521 A CB -0.664 18.129 19.000 -0.345 0.000 0.831 521 A HN 0.284 nan 8.150 nan 0.000 0.444 522 R N -0.835 119.624 120.500 -0.068 0.000 2.134 522 R HA -0.199 4.141 4.340 0.000 0.000 0.248 522 R C 2.111 178.402 176.300 -0.015 0.000 1.143 522 R CA 1.862 57.939 56.100 -0.040 0.000 0.957 522 R CB -0.462 29.813 30.300 -0.042 0.000 0.867 522 R HN 0.453 nan 8.270 nan 0.000 0.441 523 L N 1.544 122.742 121.223 -0.040 0.000 1.956 523 L HA -0.227 4.113 4.340 0.000 0.000 0.216 523 L C 2.410 179.317 176.870 0.061 0.000 1.073 523 L CA 2.247 57.044 54.840 -0.072 0.000 0.762 523 L CB -1.508 40.411 42.059 -0.233 0.000 0.889 523 L HN 0.456 nan 8.230 nan 0.000 0.433 524 L N 0.031 121.311 121.223 0.095 0.000 1.963 524 L HA -0.177 4.163 4.340 0.000 0.000 0.220 524 L C 2.613 179.595 176.870 0.187 0.000 1.076 524 L CA 3.158 58.133 54.840 0.226 0.000 0.772 524 L CB -1.718 40.457 42.059 0.194 0.000 0.892 524 L HN 0.224 nan 8.230 nan 0.000 0.435 525 A N -0.106 122.772 122.820 0.097 0.000 1.894 525 A HA -0.357 3.963 4.320 0.000 0.000 0.220 525 A C 2.192 179.830 177.584 0.090 0.000 1.237 525 A CA 2.612 54.689 52.037 0.067 0.000 0.660 525 A CB -1.265 17.749 19.000 0.022 0.000 0.835 525 A HN 0.757 nan 8.150 nan 0.000 0.461 526 E N -1.136 119.125 120.200 0.101 0.000 2.331 526 E HA -0.150 4.200 4.350 0.000 0.000 0.199 526 E C 1.176 177.867 176.600 0.152 0.000 1.008 526 E CA 0.596 57.063 56.400 0.112 0.000 0.843 526 E CB -0.016 29.750 29.700 0.110 0.000 0.761 526 E HN 0.405 nan 8.360 nan 0.000 0.507 531 K N 0.615 121.086 120.400 0.118 0.000 2.106 531 K HA 0.820 5.140 4.320 0.000 0.000 0.246 531 K C -0.425 176.251 176.600 0.127 0.000 0.987 531 K CA -0.785 55.569 56.287 0.111 0.000 0.904 531 K CB 2.052 34.592 32.500 0.066 0.000 1.071 531 K HN 0.374 nan 8.250 nan 0.000 0.453 532 V N 1.744 121.726 119.914 0.114 0.000 2.962 532 V HA 0.366 4.486 4.120 0.000 0.000 0.313 532 V C -0.744 175.349 176.094 -0.003 0.000 1.099 532 V CA -0.997 61.344 62.300 0.069 0.000 0.971 532 V CB 1.906 33.795 31.823 0.110 0.000 1.028 532 V HN 0.552 nan 8.190 nan 0.000 0.430 533 L N 3.138 124.321 121.223 -0.066 0.000 2.301 533 L HA 0.662 5.002 4.340 0.000 0.000 0.278 533 L C 0.305 177.088 176.870 -0.146 0.000 1.022 533 L CA -0.497 54.293 54.840 -0.082 0.000 0.854 533 L CB 1.435 43.448 42.059 -0.077 0.000 1.226 533 L HN 0.794 nan 8.230 nan 0.000 0.429 534 A N 5.486 128.218 122.820 -0.147 0.000 2.391 534 A HA 0.510 4.830 4.320 0.000 0.000 0.316 534 A C 0.380 177.902 177.584 -0.103 0.000 1.381 534 A CA -0.427 51.492 52.037 -0.197 0.000 0.998 534 A CB 0.001 18.893 19.000 -0.180 0.000 1.147 534 A HN 0.781 nan 8.150 nan 0.000 0.545 535 M N 3.951 123.489 119.600 -0.102 0.000 3.436 535 M HA 0.085 4.565 4.480 0.000 0.000 0.240 535 M C 0.832 177.106 176.300 -0.042 0.000 1.469 535 M CA -0.123 55.142 55.300 -0.059 0.000 1.622 535 M CB -0.915 31.654 32.600 -0.052 0.000 1.098 535 M HN 0.777 nan 8.290 nan 0.000 0.568 536 T N -1.029 113.512 114.554 -0.022 0.000 2.937 536 T HA 0.104 4.454 4.350 0.000 0.000 0.316 536 T C -1.363 173.334 174.700 -0.004 0.000 1.079 536 T CA -1.096 61.008 62.100 0.007 0.000 1.131 536 T CB 0.377 69.271 68.868 0.044 0.000 1.000 536 T HN 0.377 nan 8.240 nan 0.000 0.549 537 P HA 0.199 nan 4.420 nan 0.000 0.235 537 P C 0.126 177.389 177.300 -0.060 0.000 1.177 537 P CA 0.201 63.279 63.100 -0.036 0.000 0.785 537 P CB 0.155 31.850 31.700 -0.008 0.000 0.885 538 A N 0.258 123.078 122.820 -0.001 0.000 2.303 538 A HA 0.660 4.980 4.320 0.000 0.000 0.320 538 A C 0.184 177.820 177.584 0.087 0.000 1.192 538 A CA -0.632 51.433 52.037 0.047 0.000 0.821 538 A CB 0.889 19.928 19.000 0.064 0.000 1.188 538 A HN 0.191 nan 8.150 nan 0.000 0.492 539 A N 2.280 125.227 122.820 0.212 0.000 2.386 539 A HA 0.486 4.806 4.320 0.000 0.000 0.248 539 A C 0.982 178.507 177.584 -0.098 0.000 1.082 539 A CA 0.521 52.576 52.037 0.030 0.000 0.789 539 A CB -0.334 18.660 19.000 -0.010 0.000 1.025 539 A HN 2.020 nan 8.150 nan 0.000 0.490 540 N N -0.823 117.809 118.700 -0.112 0.000 2.815 540 N HA -0.271 4.469 4.740 0.000 0.000 0.247 540 N C 0.966 176.360 175.510 -0.192 0.000 1.030 540 N CA 2.384 55.348 53.050 -0.145 0.000 0.881 540 N CB -1.325 37.048 38.487 -0.190 0.000 1.134 540 N HN 1.057 nan 8.380 nan 0.000 0.582 541 A N 0.442 123.172 122.820 -0.150 0.000 1.851 541 A HA -0.127 4.193 4.320 0.000 0.000 0.216 541 A C 2.005 179.565 177.584 -0.040 0.000 1.195 541 A CA 2.206 54.145 52.037 -0.164 0.000 0.622 541 A CB -0.714 18.342 19.000 0.094 0.000 0.831 541 A HN 0.431 nan 8.150 nan 0.000 0.444 542 R N 0.016 120.546 120.500 0.050 0.000 2.204 542 R HA -0.148 4.192 4.340 0.000 0.000 0.253 542 R C 1.929 178.287 176.300 0.096 0.000 1.172 542 R CA 1.976 58.144 56.100 0.113 0.000 0.994 542 R CB -1.087 29.267 30.300 0.090 0.000 0.874 542 R HN 0.492 nan 8.270 nan 0.000 0.462 543 G N -0.711 108.084 108.800 -0.009 0.000 2.408 543 G HA2 -0.087 3.873 3.960 0.000 0.000 0.213 543 G HA3 -0.087 3.873 3.960 0.000 0.000 0.213 543 G C 1.358 176.212 174.900 -0.077 0.000 1.177 543 G CA 0.353 45.433 45.100 -0.034 0.000 0.802 543 G HN 0.295 nan 8.290 nan 0.000 0.533 544 L N 0.468 121.552 121.223 -0.232 0.000 2.201 544 L HA -0.006 4.334 4.340 0.000 0.000 0.212 544 L C 2.744 179.666 176.870 0.087 0.000 1.105 544 L CA 0.861 55.514 54.840 -0.312 0.000 0.775 544 L CB -0.364 40.999 42.059 -1.160 0.000 0.913 544 L HN 0.323 nan 8.230 nan 0.000 0.440 545 E N 0.537 120.892 120.200 0.258 0.000 2.106 545 E HA -0.158 4.192 4.350 0.000 0.000 0.192 545 E C 2.215 179.036 176.600 0.368 0.000 0.984 545 E CA 1.059 57.751 56.400 0.487 0.000 0.806 545 E CB -0.089 29.899 29.700 0.481 0.000 0.750 545 E HN 0.476 nan 8.360 nan 0.000 0.458 546 A N 0.687 123.595 122.820 0.147 0.000 2.168 546 A HA -0.071 4.249 4.320 0.000 0.000 0.215 546 A C 1.913 179.283 177.584 -0.356 0.000 1.152 546 A CA 0.835 52.620 52.037 -0.421 0.000 0.716 546 A CB -0.055 18.759 19.000 -0.309 0.000 0.794 546 A HN 0.096 nan 8.150 nan 0.000 0.465 547 M N -2.064 117.482 119.600 -0.091 0.000 2.492 547 M HA 0.188 4.668 4.480 0.000 0.000 0.255 547 M C 1.379 177.692 176.300 0.021 0.000 1.139 547 M CA 0.953 56.223 55.300 -0.050 0.000 1.096 547 M CB -0.674 31.914 32.600 -0.019 0.000 1.360 547 M HN 0.774 nan 8.290 nan 0.000 0.480 548 G N 0.981 109.848 108.800 0.111 0.000 2.171 548 G HA2 -0.161 3.799 3.960 0.000 0.000 0.238 548 G HA3 -0.161 3.799 3.960 0.000 0.000 0.238 548 G C 0.230 175.240 174.900 0.183 0.000 1.039 548 G CA 0.099 45.293 45.100 0.157 0.000 0.759 548 G HN 0.313 nan 8.290 nan 0.000 0.501 549 V N 0.439 120.534 119.914 0.302 0.000 3.273 549 V HA 0.354 4.474 4.120 0.000 0.000 0.379 549 V C 0.616 176.854 176.094 0.241 0.000 1.256 549 V CA 0.387 62.899 62.300 0.354 0.000 1.455 549 V CB -0.591 31.564 31.823 0.553 0.000 1.247 549 V HN 0.340 nan 8.190 nan 0.000 0.469 550 L N 1.886 123.180 121.223 0.118 0.000 2.334 550 L HA 0.512 4.852 4.340 0.000 0.000 0.273 550 L C -0.858 176.039 176.870 0.044 0.000 1.013 550 L CA -1.927 52.914 54.840 0.001 0.000 0.816 550 L CB 1.347 43.421 42.059 0.024 0.000 1.278 550 L HN -0.057 nan 8.230 nan 0.000 0.431 551 P HA -0.109 nan 4.420 nan 0.000 0.218 551 P C 0.933 178.280 177.300 0.079 0.000 1.149 551 P CA 1.699 64.848 63.100 0.082 0.000 0.817 551 P CB 0.563 32.315 31.700 0.086 0.000 0.785 552 G N 0.366 109.203 108.800 0.062 0.000 3.274 552 G HA2 -0.324 3.636 3.960 0.000 0.000 0.313 552 G HA3 -0.324 3.636 3.960 0.000 0.000 0.313 552 G C 0.832 175.763 174.900 0.053 0.000 1.295 552 G CA 0.978 46.113 45.100 0.058 0.000 1.004 552 G HN 0.689 nan 8.290 nan 0.000 0.614 553 A N 0.381 123.233 122.820 0.054 0.000 3.711 553 A HA 0.746 5.066 4.320 0.000 0.000 0.185 553 A C 0.835 178.454 177.584 0.059 0.000 1.697 553 A CA 0.995 53.061 52.037 0.048 0.000 1.787 553 A CB -0.180 18.844 19.000 0.039 0.000 1.545 553 A HN 0.874 nan 8.150 nan 0.000 0.553 554 K N -0.433 120.001 120.400 0.057 0.000 2.494 554 K HA 0.392 4.712 4.320 0.000 0.000 0.273 554 K C 0.279 176.953 176.600 0.122 0.000 0.970 554 K CA 0.991 57.320 56.287 0.070 0.000 0.963 554 K CB -0.188 32.347 32.500 0.059 0.000 0.913 554 K HN 1.326 nan 8.250 nan 0.000 0.502 555 G N -0.556 108.328 108.800 0.140 0.000 2.354 555 G HA2 0.298 4.258 3.960 0.000 0.000 0.582 555 G HA3 0.298 4.258 3.960 0.000 0.000 0.582 555 G C -1.801 173.118 174.900 0.032 0.000 1.316 555 G CA -0.560 44.678 45.100 0.229 0.000 0.995 555 G HN 0.719 nan 8.290 nan 0.000 0.573 556 A N -0.299 122.420 122.820 -0.170 0.000 2.337 556 A HA 0.960 5.280 4.320 0.000 0.000 0.329 556 A C 0.642 178.247 177.584 0.035 0.000 1.146 556 A CA 0.683 52.656 52.037 -0.107 0.000 0.800 556 A CB 1.203 20.123 19.000 -0.134 0.000 1.220 556 A HN 2.336 nan 8.150 nan 0.000 0.472 557 S N 1.752 117.492 115.700 0.067 0.000 2.719 557 S HA 0.398 4.868 4.470 0.000 0.000 0.285 557 S C 1.289 176.038 174.600 0.248 0.000 1.137 557 S CA -0.105 58.212 58.200 0.195 0.000 1.012 557 S CB 0.236 63.452 63.200 0.026 0.000 1.134 557 S HN 1.218 nan 8.310 nan 0.000 0.544 558 W N 1.834 123.299 121.300 0.275 0.000 2.305 558 W HA -0.194 4.466 4.660 0.000 0.000 0.308 558 W C 0.763 177.226 176.519 -0.092 0.000 1.226 558 W CA 2.055 59.487 57.345 0.144 0.000 1.253 558 W CB -1.125 28.514 29.460 0.299 0.000 1.146 558 W HN 0.836 nan 8.180 nan 0.000 0.507 559 D N 0.214 120.163 120.400 -0.752 0.000 2.349 559 D HA -0.029 4.612 4.640 0.000 0.000 0.214 559 D C 0.001 175.966 176.300 -0.558 0.000 1.063 559 D CA 0.039 53.566 54.000 -0.787 0.000 0.847 559 D CB -0.384 39.615 40.800 -1.334 0.000 0.933 559 D HN 0.341 nan 8.370 nan 0.000 0.513 560 E N 2.276 122.224 120.200 -0.420 0.000 2.035 560 E HA 0.239 4.589 4.350 0.000 0.000 0.271 560 E C -2.406 174.075 176.600 -0.200 0.000 0.953 560 E CA -2.159 54.073 56.400 -0.281 0.000 0.777 560 E CB 1.511 31.082 29.700 -0.215 0.000 1.104 560 E HN 0.072 nan 8.360 nan 0.000 0.408 561 P HA 0.339 nan 4.420 nan 0.000 0.279 561 P C 0.337 177.573 177.300 -0.106 0.000 1.276 561 P CA 0.189 63.201 63.100 -0.147 0.000 0.801 561 P CB 1.832 33.433 31.700 -0.165 0.000 1.127 562 G N -1.441 107.313 108.800 -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 0.369 175.252 174.900 -0.028 0.000 1.256 562 G CA 0.359 45.426 45.100 -0.055 0.000 0.886 562 G HN 0.759 nan 8.290 nan 0.000 0.344 563 A N 0.257 123.069 122.820 -0.015 0.000 2.433 563 A HA 0.613 4.933 4.320 0.000 0.000 0.250 563 A C -0.191 177.402 177.584 0.015 0.000 1.113 563 A CA 0.819 52.901 52.037 0.075 0.000 0.794 563 A CB 0.443 19.509 19.000 0.110 0.000 1.067 563 A HN 1.294 nan 8.150 nan 0.000 0.510 564 L N -0.982 120.254 121.223 0.021 0.000 2.381 564 L HA 0.625 4.965 4.340 0.000 0.000 0.268 564 L C -1.524 175.307 176.870 -0.064 0.000 0.997 564 L CA -0.199 54.532 54.840 -0.181 0.000 0.818 564 L CB 0.972 42.812 42.059 -0.365 0.000 1.310 564 L HN 0.716 nan 8.230 nan 0.000 0.416 565 Y N 1.781 122.108 120.300 0.046 0.000 2.809 565 Y HA 0.097 4.647 4.550 0.000 0.000 0.077 565 Y C 0.051 175.951 175.900 0.001 0.000 1.945 565 Y CA 0.729 58.869 58.100 0.066 0.000 1.154 565 Y CB -1.799 36.749 38.460 0.147 0.000 1.808 565 Y HN 0.811 nan 8.280 nan 0.000 0.303 566 A N 2.057 124.862 122.820 -0.025 0.000 2.435 566 A HA 0.875 5.195 4.320 0.000 0.000 0.296 566 A C -1.731 175.741 177.584 -0.187 0.000 1.147 566 A CA -0.931 51.036 52.037 -0.117 0.000 0.775 566 A CB 1.659 20.472 19.000 -0.313 0.000 1.340 566 A HN 0.789 nan 8.150 nan 0.000 0.427 567 Y N 0.809 120.988 120.300 -0.202 0.000 2.345 567 Y HA 0.652 5.202 4.550 0.000 0.000 0.331 567 Y C -2.014 173.868 175.900 -0.031 0.000 0.959 567 Y CA -1.125 56.912 58.100 -0.105 0.000 1.204 567 Y CB 0.817 39.287 38.460 0.017 0.000 1.135 567 Y HN 0.499 nan 8.280 nan 0.000 0.477 568 Y N 4.070 123.948 120.300 -0.703 0.000 2.331 568 Y HA 0.454 5.004 4.550 0.000 0.000 0.338 568 Y C 0.931 176.321 175.900 -0.850 0.000 0.976 568 Y CA -1.309 56.345 58.100 -0.743 0.000 1.137 568 Y CB 2.222 40.297 38.460 -0.642 0.000 1.172 568 Y HN 0.862 nan 8.280 nan 0.000 0.478 569 G N 3.662 112.213 108.800 -0.415 0.000 3.371 569 G HA2 0.356 4.316 3.960 0.000 0.000 0.248 569 G HA3 0.356 4.316 3.960 0.000 0.000 0.248 569 G C -0.554 174.448 174.900 0.169 0.000 1.161 569 G CA 0.075 45.151 45.100 -0.040 0.000 0.796 569 G HN 0.481 nan 8.290 nan 0.000 0.539 570 F N -3.458 116.467 119.950 -0.042 0.000 2.799 570 F HA 0.486 5.013 4.527 0.000 0.000 0.316 570 F C -1.193 174.506 175.800 -0.167 0.000 1.155 570 F CA -1.718 56.238 58.000 -0.072 0.000 0.916 570 F CB 0.846 39.801 39.000 -0.074 0.000 1.294 570 F HN -0.197 nan 8.300 nan 0.000 0.447 571 V N 3.342 123.197 119.914 -0.099 0.000 2.415 571 V HA 0.318 4.438 4.120 0.000 0.000 0.267 571 V C -1.931 174.022 176.094 -0.236 0.000 1.042 571 V CA -0.918 61.200 62.300 -0.303 0.000 1.000 571 V CB 0.083 31.738 31.823 -0.280 0.000 1.015 571 V HN 0.626 nan 8.190 nan 0.000 0.478 572 P HA 0.357 nan 4.420 nan 0.000 0.302 572 P C -2.646 174.440 177.300 -0.358 0.000 1.307 572 P CA -1.658 61.209 63.100 -0.387 0.000 0.754 572 P CB -0.131 30.968 31.700 -1.002 0.000 1.298 573 P HA 0.047 nan 4.420 nan 0.000 0.276 573 P C 0.623 177.658 177.300 -0.442 0.000 1.230 573 P CA 0.089 62.903 63.100 -0.476 0.000 0.776 573 P CB 0.843 32.089 31.700 -0.757 0.000 0.888 574 E N 2.479 122.444 120.200 -0.392 0.000 2.136 574 E HA -0.274 4.076 4.350 0.000 0.000 0.202 574 E C 1.133 177.475 176.600 -0.430 0.000 1.019 574 E CA 1.513 57.644 56.400 -0.448 0.000 0.819 574 E CB -0.026 29.462 29.700 -0.354 0.000 0.739 574 E HN 0.376 nan 8.360 nan 0.000 0.458 575 E N -0.429 119.563 120.200 -0.347 0.000 2.396 575 E HA -0.180 4.170 4.350 0.000 0.000 0.200 575 E C 1.614 178.050 176.600 -0.274 0.000 1.023 575 E CA 0.930 57.160 56.400 -0.283 0.000 0.857 575 E CB -0.078 29.462 29.700 -0.267 0.000 0.775 575 E HN 0.449 nan 8.360 nan 0.000 0.525 576 A N 0.255 122.880 122.820 -0.325 0.000 2.044 576 A HA 0.011 4.331 4.320 0.000 0.000 0.213 576 A C 2.007 179.480 177.584 -0.186 0.000 1.169 576 A CA 0.206 52.082 52.037 -0.268 0.000 0.724 576 A CB 0.099 18.887 19.000 -0.355 0.000 0.840 576 A HN 0.081 nan 8.150 nan 0.000 0.463 577 L N 0.039 121.102 121.223 -0.266 0.000 2.209 577 L HA 0.103 4.443 4.340 0.000 0.000 0.207 577 L C 0.704 177.518 176.870 -0.093 0.000 1.094 577 L CA 1.065 55.800 54.840 -0.175 0.000 0.790 577 L CB -1.267 40.604 42.059 -0.313 0.000 0.932 577 L HN 0.300 nan 8.230 nan 0.000 0.447 578 K N -0.144 120.163 120.400 -0.156 0.000 2.436 578 K HA 0.283 4.603 4.320 0.000 0.000 0.275 578 K C 1.182 177.766 176.600 -0.027 0.000 0.999 578 K CA 0.695 56.975 56.287 -0.011 0.000 0.980 578 K CB 0.416 32.893 32.500 -0.039 0.000 0.919 578 K HN 0.278 nan 8.250 nan 0.000 0.484 579 G N 2.270 111.074 108.800 0.007 0.000 2.336 579 G HA2 -0.296 3.664 3.960 0.000 0.000 0.233 579 G HA3 -0.296 3.664 3.960 0.000 0.000 0.233 579 G C -0.029 174.843 174.900 -0.046 0.000 1.053 579 G CA -0.146 44.940 45.100 -0.023 0.000 0.625 579 G HN 0.531 nan 8.290 nan 0.000 0.511 580 K N 0.745 121.108 120.400 -0.061 0.000 2.295 580 K HA 0.475 4.795 4.320 0.000 0.000 0.270 580 K C 1.534 178.065 176.600 -0.116 0.000 1.011 580 K CA -0.390 55.828 56.287 -0.116 0.000 0.953 580 K CB 0.777 33.198 32.500 -0.131 0.000 0.956 580 K HN 0.299 nan 8.250 nan 0.000 0.477 581 R N 0.857 121.248 120.500 -0.180 0.000 2.048 581 R HA 0.022 4.362 4.340 0.000 0.000 0.224 581 R C 0.366 176.655 176.300 -0.019 0.000 1.163 581 R CA 0.925 56.980 56.100 -0.074 0.000 0.956 581 R CB -0.016 30.193 30.300 -0.152 0.000 0.849 581 R HN 0.412 nan 8.270 nan 0.000 0.435 582 F N 1.379 121.221 119.950 -0.179 0.000 2.482 582 F HA 0.408 4.935 4.527 0.000 0.000 0.331 582 F C -0.860 174.821 175.800 -0.199 0.000 1.115 582 F CA -1.645 56.252 58.000 -0.172 0.000 0.955 582 F CB 1.586 40.786 39.000 0.334 0.000 1.136 582 F HN -0.195 nan 8.300 nan 0.000 0.452 583 V N 4.973 124.342 119.914 -0.908 0.000 2.612 583 V HA 0.725 4.845 4.120 0.000 0.000 0.301 583 V C -1.321 174.418 176.094 -0.593 0.000 1.059 583 V CA -0.960 60.948 62.300 -0.653 0.000 0.886 583 V CB 0.901 32.514 31.823 -0.351 0.000 1.007 583 V HN 0.810 nan 8.190 nan 0.000 0.426 584 V N 2.620 122.248 119.914 -0.476 0.000 2.347 584 V HA 0.679 4.799 4.120 0.000 0.000 0.280 584 V C -0.062 175.993 176.094 -0.064 0.000 1.021 584 V CA -0.613 61.562 62.300 -0.209 0.000 0.847 584 V CB 1.179 32.962 31.823 -0.067 0.000 0.990 584 V HN 0.926 nan 8.190 nan 0.000 0.444 585 M N 4.380 123.976 119.600 -0.006 0.000 2.129 585 M HA 0.403 4.883 4.480 0.000 0.000 0.348 585 M C 0.127 176.521 176.300 0.156 0.000 1.116 585 M CA -0.220 55.092 55.300 0.020 0.000 1.022 585 M CB 1.113 33.723 32.600 0.016 0.000 1.599 585 M HN 0.850 nan 8.290 nan 0.000 0.449 586 H N 4.205 123.304 119.070 0.049 0.000 2.595 586 H HA 0.378 4.934 4.556 0.000 0.000 0.264 586 H C -0.568 174.866 175.328 0.177 0.000 1.503 586 H CA -0.463 55.716 56.048 0.219 0.000 1.142 586 H CB 0.359 30.416 29.762 0.492 0.000 1.554 586 H HN 0.613 nan 8.280 nan 0.000 0.501 587 L N 0.803 122.150 121.223 0.206 0.000 2.466 587 L HA 0.022 4.362 4.340 0.000 0.000 0.257 587 L C 1.263 178.253 176.870 0.200 0.000 1.189 587 L CA 0.210 55.147 54.840 0.160 0.000 0.813 587 L CB 0.973 43.127 42.059 0.159 0.000 1.118 587 L HN 0.421 nan 8.230 nan 0.000 0.471 588 S N -1.481 114.372 115.700 0.256 0.000 2.559 588 S HA 0.242 4.712 4.470 0.000 0.000 0.226 588 S C 0.123 175.047 174.600 0.539 0.000 1.000 588 S CA -0.435 57.976 58.200 0.352 0.000 0.948 588 S CB 0.084 63.510 63.200 0.376 0.000 0.870 588 S HN 0.731 nan 8.310 nan 0.000 0.497 589 H N -0.344 118.830 119.070 0.174 0.000 3.048 589 H HA 0.675 5.231 4.556 0.000 0.000 0.296 589 H C -1.543 173.873 175.328 0.148 0.000 1.508 589 H CA -1.068 55.082 56.048 0.170 0.000 1.250 589 H CB 0.801 30.682 29.762 0.200 0.000 1.896 589 H HN 0.132 nan 8.280 nan 0.000 0.604 590 L N 2.258 123.622 121.223 0.235 0.000 2.387 590 L HA 0.239 4.579 4.340 0.000 0.000 0.259 590 L C -0.820 176.163 176.870 0.189 0.000 1.050 590 L CA -0.337 54.608 54.840 0.176 0.000 0.922 590 L CB -0.651 41.473 42.059 0.109 0.000 1.280 590 L HN 0.567 nan 8.230 nan 0.000 0.449 591 H N 4.917 124.056 119.070 0.116 0.000 2.683 591 H HA 0.270 4.826 4.556 0.000 0.000 0.339 591 H C -1.967 173.408 175.328 0.078 0.000 1.081 591 H CA -1.830 54.272 56.048 0.089 0.000 1.432 591 H CB 1.582 31.384 29.762 0.067 0.000 1.462 591 H HN 0.365 nan 8.280 nan 0.000 0.557 592 P HA -0.220 nan 4.420 nan 0.000 0.216 592 P C 2.003 179.500 177.300 0.327 0.000 1.157 592 P CA 0.929 64.199 63.100 0.284 0.000 0.880 592 P CB 0.301 32.112 31.700 0.186 0.000 0.791 593 L N -1.426 120.045 121.223 0.413 0.000 2.197 593 L HA -0.230 4.110 4.340 0.000 0.000 0.215 593 L C 2.165 179.132 176.870 0.163 0.000 1.095 593 L CA 2.271 57.205 54.840 0.157 0.000 0.764 593 L CB -1.582 40.309 42.059 -0.279 0.000 0.897 593 L HN 0.019 nan 8.230 nan 0.000 0.436 594 A N 0.533 123.431 122.820 0.130 0.000 1.898 594 A HA -0.149 4.171 4.320 0.000 0.000 0.214 594 A C 1.843 179.504 177.584 0.129 0.000 1.183 594 A CA 0.912 53.015 52.037 0.111 0.000 0.622 594 A CB -0.316 18.747 19.000 0.106 0.000 0.824 594 A HN 0.619 nan 8.150 nan 0.000 0.444 595 E N -0.810 119.469 120.200 0.132 0.000 2.365 595 E HA 0.106 4.456 4.350 0.000 0.000 0.188 595 E C 0.793 177.430 176.600 0.061 0.000 1.102 595 E CA 0.019 56.474 56.400 0.092 0.000 0.927 595 E CB -0.029 29.720 29.700 0.081 0.000 1.073 595 E HN 0.573 nan 8.360 nan 0.000 0.467 596 R N -1.348 119.196 120.500 0.073 0.000 2.532 596 R HA 0.176 4.516 4.340 0.000 0.000 0.312 596 R C 0.032 176.159 176.300 -0.289 0.000 0.923 596 R CA 0.063 56.113 56.100 -0.083 0.000 1.115 596 R CB 0.542 30.797 30.300 -0.076 0.000 1.703 596 R HN 0.140 nan 8.270 nan 0.000 0.498 597 Y N -0.566 119.760 120.300 0.044 0.000 2.459 597 Y HA 0.445 4.995 4.550 0.000 0.000 0.271 597 Y C 0.593 176.537 175.900 0.073 0.000 1.063 597 Y CA -0.388 57.738 58.100 0.044 0.000 1.216 597 Y CB 1.040 39.491 38.460 -0.014 0.000 1.335 597 Y HN -0.034 nan 8.280 nan 0.000 0.550 598 A N -0.143 122.802 122.820 0.208 0.000 2.302 598 A HA 0.332 4.652 4.320 0.000 0.000 0.285 598 A C 0.227 177.981 177.584 0.283 0.000 1.105 598 A CA -0.138 51.992 52.037 0.156 0.000 0.816 598 A CB 0.290 19.345 19.000 0.092 0.000 1.067 598 A HN 0.567 nan 8.150 nan 0.000 0.489 599 H N -0.042 119.042 119.070 0.023 0.000 2.516 599 H HA 0.289 4.845 4.556 0.000 0.000 0.284 599 H C -0.617 174.787 175.328 0.126 0.000 0.999 599 H CA 0.507 56.630 56.048 0.124 0.000 1.303 599 H CB 0.854 30.811 29.762 0.325 0.000 1.452 599 H HN 0.319 nan 8.280 nan 0.000 0.530 600 V N 1.953 121.966 119.914 0.164 0.000 2.711 600 V HA 0.206 4.326 4.120 0.000 0.000 0.304 600 V C -0.666 175.456 176.094 0.046 0.000 1.097 600 V CA -0.766 61.600 62.300 0.109 0.000 0.906 600 V CB 2.649 34.570 31.823 0.164 0.000 1.015 600 V HN -0.085 nan 8.190 nan 0.000 0.427 601 V N 5.760 125.694 119.914 0.035 0.000 2.667 601 V HA 0.652 4.772 4.120 0.000 0.000 0.308 601 V C -0.694 175.400 176.094 0.001 0.000 1.048 601 V CA -0.676 61.653 62.300 0.048 0.000 0.928 601 V CB 1.928 33.791 31.823 0.066 0.000 1.004 601 V HN 0.684 nan 8.190 nan 0.000 0.444 602 L N 5.814 127.087 121.223 0.084 0.000 2.446 602 L HA 0.456 4.796 4.340 0.000 0.000 0.268 602 L C -2.524 174.562 176.870 0.361 0.000 0.975 602 L CA -1.472 53.400 54.840 0.053 0.000 0.848 602 L CB 2.318 44.340 42.059 -0.062 0.000 1.225 602 L HN 0.419 nan 8.230 nan 0.000 0.410 603 P HA 0.052 nan 4.420 nan 0.000 0.260 603 P C -0.657 176.922 177.300 0.464 0.000 1.172 603 P CA 0.267 63.575 63.100 0.346 0.000 0.760 603 P CB 1.035 32.904 31.700 0.282 0.000 0.773 604 A N 6.072 129.076 122.820 0.306 0.000 2.350 604 A HA 0.866 5.186 4.320 0.000 0.000 0.318 604 A C -2.506 175.161 177.584 0.140 0.000 1.132 604 A CA -1.854 50.272 52.037 0.149 0.000 0.811 604 A CB 1.021 19.804 19.000 -0.362 0.000 1.313 604 A HN 0.374 nan 8.150 nan 0.000 0.454 605 P HA 0.379 nan 4.420 nan 0.000 0.287 605 P C -0.302 177.056 177.300 0.095 0.000 1.270 605 P CA -0.088 63.069 63.100 0.096 0.000 0.844 605 P CB 1.393 33.140 31.700 0.078 0.000 1.068 606 T N -1.263 113.334 114.554 0.072 0.000 2.882 606 T HA 0.224 4.574 4.350 0.000 0.000 0.287 606 T C 1.320 176.016 174.700 -0.006 0.000 1.014 606 T CA -0.533 61.594 62.100 0.045 0.000 1.049 606 T CB -0.029 68.771 68.868 -0.113 0.000 1.001 606 T HN 0.384 nan 8.240 nan 0.000 0.525 607 F N -0.354 119.611 119.950 0.026 0.000 2.287 607 F HA -0.055 4.472 4.527 0.000 0.000 0.301 607 F C 1.675 177.419 175.800 -0.092 0.000 1.069 607 F CA 0.469 58.425 58.000 -0.073 0.000 1.372 607 F CB -1.413 37.497 39.000 -0.150 0.000 1.056 607 F HN 0.528 nan 8.300 nan 0.000 0.523 608 Y N 1.819 121.839 120.300 -0.467 0.000 2.333 608 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 608 Y C 2.051 177.890 175.900 -0.103 0.000 1.144 608 Y CA 1.470 59.395 58.100 -0.292 0.000 1.228 608 Y CB -0.646 37.527 38.460 -0.479 0.000 0.985 608 Y HN 0.448 nan 8.280 nan 0.000 0.542 609 E N -0.578 119.647 120.200 0.043 0.000 2.624 609 E HA 0.178 4.528 4.350 0.000 0.000 0.210 609 E C -0.212 176.407 176.600 0.031 0.000 0.997 609 E CA -0.154 56.265 56.400 0.033 0.000 0.999 609 E CB 0.217 29.924 29.700 0.011 0.000 1.040 609 E HN 0.193 nan 8.360 nan 0.000 0.469 610 K N 1.345 121.774 120.400 0.048 0.000 2.139 610 K HA 0.423 4.743 4.320 0.000 0.000 0.243 610 K C -0.332 176.267 176.600 -0.002 0.000 0.983 610 K CA -0.818 55.489 56.287 0.032 0.000 0.890 610 K CB 2.099 34.635 32.500 0.059 0.000 1.090 610 K HN -0.061 nan 8.250 nan 0.000 0.445 611 R N 0.295 120.757 120.500 -0.063 0.000 2.445 611 R HA 0.537 4.877 4.340 0.000 0.000 0.308 611 R C -0.710 175.484 176.300 -0.176 0.000 0.961 611 R CA -0.194 55.803 56.100 -0.172 0.000 0.862 611 R CB 1.345 31.447 30.300 -0.331 0.000 1.144 611 R HN 0.883 nan 8.270 nan 0.000 0.447 612 G N 1.975 110.709 108.800 -0.111 0.000 2.356 612 G HA2 0.064 4.024 3.960 0.000 0.000 0.300 612 G HA3 0.064 4.024 3.960 0.000 0.000 0.300 612 G C -1.808 173.187 174.900 0.159 0.000 1.331 612 G CA -0.907 44.190 45.100 -0.006 0.000 0.905 612 G HN 0.690 nan 8.290 nan 0.000 0.587 613 H N -1.376 117.743 119.070 0.082 0.000 2.567 613 H HA 0.772 5.328 4.556 0.000 0.000 0.345 613 H C -0.706 174.620 175.328 -0.002 0.000 1.169 613 H CA -0.757 55.315 56.048 0.040 0.000 1.227 613 H CB 2.214 32.006 29.762 0.049 0.000 1.607 613 H HN 0.373 nan 8.280 nan 0.000 0.534 614 L N 1.278 122.563 121.223 0.103 0.000 2.393 614 L HA 0.334 4.674 4.340 0.000 0.000 0.260 614 L C -1.199 175.663 176.870 -0.013 0.000 1.002 614 L CA -0.739 54.104 54.840 0.006 0.000 0.818 614 L CB 2.468 44.501 42.059 -0.044 0.000 1.369 614 L HN 0.386 nan 8.230 nan 0.000 0.412 615 V N 3.580 123.476 119.914 -0.029 0.000 2.293 615 V HA 0.371 4.491 4.120 0.000 0.000 0.275 615 V C 0.369 176.450 176.094 -0.021 0.000 1.021 615 V CA -0.924 61.367 62.300 -0.017 0.000 0.815 615 V CB 0.859 32.681 31.823 -0.001 0.000 1.025 615 V HN 0.773 nan 8.190 nan 0.000 0.448 616 N N 3.108 121.796 118.700 -0.020 0.000 2.237 616 N HA -0.011 4.729 4.740 0.000 0.000 0.222 616 N C 1.251 176.760 175.510 -0.003 0.000 1.311 616 N CA 0.214 53.253 53.050 -0.019 0.000 0.880 616 N CB 0.914 39.391 38.487 -0.016 0.000 1.106 616 N HN 0.772 nan 8.380 nan 0.000 0.435 617 L N -0.043 121.176 121.223 -0.005 0.000 2.622 617 L HA 0.085 4.425 4.340 0.000 0.000 0.233 617 L C 1.005 177.882 176.870 0.011 0.000 1.156 617 L CA 0.947 55.789 54.840 0.004 0.000 0.866 617 L CB -0.205 41.849 42.059 -0.009 0.000 0.980 617 L HN 0.622 nan 8.230 nan 0.000 0.448 618 E N -0.742 119.465 120.200 0.011 0.000 2.558 618 E HA 0.293 4.643 4.350 0.000 0.000 0.205 618 E C 1.077 177.694 176.600 0.029 0.000 1.006 618 E CA 0.099 56.509 56.400 0.016 0.000 0.961 618 E CB 0.459 30.163 29.700 0.007 0.000 1.044 618 E HN 0.314 nan 8.360 nan 0.000 0.465 619 G N 2.057 110.879 108.800 0.037 0.000 2.153 619 G HA2 -0.372 3.588 3.960 0.000 0.000 0.252 619 G HA3 -0.372 3.588 3.960 0.000 0.000 0.252 619 G C 0.135 175.054 174.900 0.031 0.000 0.994 619 G CA 0.445 45.575 45.100 0.050 0.000 0.698 619 G HN 0.363 nan 8.290 nan 0.000 0.521 620 R N 0.015 120.522 120.500 0.012 0.000 2.410 620 R HA 0.510 4.850 4.340 0.000 0.000 0.288 620 R C 0.744 177.033 176.300 -0.017 0.000 1.051 620 R CA -0.041 56.057 56.100 -0.003 0.000 1.021 620 R CB 0.958 31.253 30.300 -0.008 0.000 1.032 620 R HN 0.508 nan 8.270 nan 0.000 0.481 621 V N 4.244 124.138 119.914 -0.033 0.000 2.339 621 V HA 0.370 4.490 4.120 0.000 0.000 0.261 621 V C -0.125 175.910 176.094 -0.098 0.000 1.058 621 V CA -0.652 61.611 62.300 -0.063 0.000 0.897 621 V CB 0.427 32.199 31.823 -0.084 0.000 1.052 621 V HN 0.527 nan 8.190 nan 0.000 0.480 622 L N 7.449 128.626 121.223 -0.076 0.000 2.334 622 L HA 0.641 4.981 4.340 0.000 0.000 0.275 622 L C -1.916 174.915 176.870 -0.065 0.000 1.036 622 L CA -1.902 52.896 54.840 -0.071 0.000 0.807 622 L CB 2.433 44.465 42.059 -0.045 0.000 1.231 622 L HN 0.402 nan 8.230 nan 0.000 0.438 623 P HA 0.352 nan 4.420 nan 0.000 0.282 623 P C -1.216 176.140 177.300 0.093 0.000 1.287 623 P CA -0.491 62.644 63.100 0.058 0.000 0.792 623 P CB 1.827 33.552 31.700 0.042 0.000 1.163 624 L N -0.177 121.129 121.223 0.138 0.000 2.580 624 L HA 0.271 4.611 4.340 0.000 0.000 0.266 624 L C -0.531 176.379 176.870 0.067 0.000 0.955 624 L CA -0.088 54.807 54.840 0.092 0.000 0.886 624 L CB 1.886 43.994 42.059 0.083 0.000 1.263 624 L HN 0.322 nan 8.230 nan 0.000 0.406 625 S N 4.034 119.772 115.700 0.063 0.000 2.638 625 S HA 0.675 5.145 4.470 0.000 0.000 0.298 625 S C -2.625 171.997 174.600 0.037 0.000 1.111 625 S CA -1.115 57.105 58.200 0.033 0.000 1.027 625 S CB 2.026 65.248 63.200 0.037 0.000 1.064 625 S HN 0.375 nan 8.310 nan 0.000 0.525 626 P HA 0.475 nan 4.420 nan 0.000 0.286 626 P C -1.626 175.682 177.300 0.013 0.000 1.261 626 P CA -0.513 62.594 63.100 0.011 0.000 0.821 626 P CB 1.140 32.831 31.700 -0.016 0.000 1.013 627 A N 3.992 126.820 122.820 0.014 0.000 2.337 627 A HA 0.594 4.914 4.320 0.000 0.000 0.329 627 A C -2.215 175.357 177.584 -0.020 0.000 1.146 627 A CA -1.970 50.064 52.037 -0.005 0.000 0.800 627 A CB 0.273 19.264 19.000 -0.014 0.000 1.220 627 A HN 0.295 nan 8.150 nan 0.000 0.472 628 P HA 0.067 nan 4.420 nan 0.000 0.290 628 P C -0.528 176.750 177.300 -0.037 0.000 1.584 628 P CA 0.430 63.514 63.100 -0.026 0.000 0.813 628 P CB -0.627 31.059 31.700 -0.024 0.000 1.775 629 I N 0.199 120.742 120.570 -0.044 0.000 2.575 629 I HA 0.056 4.226 4.170 0.000 0.000 0.285 629 I C 1.123 177.220 176.117 -0.035 0.000 1.085 629 I CA -0.484 60.781 61.300 -0.057 0.000 1.403 629 I CB 0.633 38.585 38.000 -0.080 0.000 1.409 629 I HN -0.073 nan 8.210 nan 0.000 0.557 630 E N 6.614 126.793 120.200 -0.034 0.000 2.003 630 E HA 0.095 4.445 4.350 0.000 0.000 0.279 630 E C -0.757 175.839 176.600 -0.006 0.000 1.132 630 E CA -0.442 55.948 56.400 -0.016 0.000 0.888 630 E CB 0.028 29.719 29.700 -0.015 0.000 1.056 630 E HN 0.532 nan 8.360 nan 0.000 0.399 631 N N 1.870 120.576 118.700 0.010 0.000 2.518 631 N HA 0.348 5.088 4.740 0.000 0.000 0.284 631 N C 0.721 176.259 175.510 0.047 0.000 1.230 631 N CA -0.600 52.469 53.050 0.032 0.000 0.941 631 N CB 0.475 38.991 38.487 0.048 0.000 1.219 631 N HN 0.263 nan 8.380 nan 0.000 0.560 632 G N -0.795 108.050 108.800 0.075 0.000 3.318 632 G HA2 -0.057 3.903 3.960 0.000 0.000 0.230 632 G HA3 -0.057 3.903 3.960 0.000 0.000 0.230 632 G C -0.068 174.896 174.900 0.106 0.000 1.317 632 G CA -0.236 44.920 45.100 0.093 0.000 1.197 632 G HN 0.615 nan 8.290 nan 0.000 0.514 633 E N -1.122 119.120 120.200 0.069 0.000 2.282 633 E HA -0.261 4.089 4.350 0.000 0.000 0.228 633 E C 0.839 177.465 176.600 0.043 0.000 1.314 633 E CA 0.946 57.370 56.400 0.040 0.000 0.716 633 E CB -1.517 28.193 29.700 0.018 0.000 1.167 633 E HN 0.634 nan 8.360 nan 0.000 0.372 634 A N 1.394 124.292 122.820 0.130 0.000 2.478 634 A HA 0.341 4.661 4.320 0.000 0.000 0.327 634 A C 0.344 178.014 177.584 0.142 0.000 1.431 634 A CA -0.383 51.791 52.037 0.229 0.000 1.014 634 A CB 0.327 19.640 19.000 0.521 0.000 1.143 634 A HN 0.098 nan 8.150 nan 0.000 0.532 635 E N 0.796 120.884 120.200 -0.188 0.000 3.301 635 E HA -0.027 4.323 4.350 0.000 0.000 0.323 635 E C 1.267 177.923 176.600 0.094 0.000 0.974 635 E CA 1.730 58.019 56.400 -0.184 0.000 1.037 635 E CB 0.340 29.720 29.700 -0.534 0.000 1.140 635 E HN 0.837 nan 8.360 nan 0.000 0.472 636 G N 0.282 109.135 108.800 0.089 0.000 2.489 636 G HA2 0.377 4.337 3.960 0.000 0.000 0.271 636 G HA3 0.377 4.337 3.960 0.000 0.000 0.271 636 G C 0.555 175.679 174.900 0.374 0.000 1.427 636 G CA 0.036 45.263 45.100 0.211 0.000 1.057 636 G HN 0.595 nan 8.290 nan 0.000 0.532 637 A N -1.518 121.548 122.820 0.411 0.000 2.081 637 A HA 0.215 4.535 4.320 0.000 0.000 0.214 637 A C 2.223 179.889 177.584 0.136 0.000 1.158 637 A CA 0.802 53.092 52.037 0.422 0.000 0.724 637 A CB -0.352 18.909 19.000 0.435 0.000 0.826 637 A HN 0.449 nan 8.150 nan 0.000 0.463 638 L N -0.421 120.868 121.223 0.110 0.000 2.012 638 L HA -0.214 4.126 4.340 0.000 0.000 0.210 638 L C 2.482 179.371 176.870 0.032 0.000 1.073 638 L CA 2.446 57.328 54.840 0.069 0.000 0.748 638 L CB -0.522 41.591 42.059 0.091 0.000 0.891 638 L HN 0.447 nan 8.230 nan 0.000 0.431 639 Q N -1.395 118.411 119.800 0.009 0.000 2.049 639 Q HA -0.119 4.221 4.340 0.000 0.000 0.198 639 Q C 2.151 178.128 176.000 -0.037 0.000 0.971 639 Q CA 1.941 57.716 55.803 -0.046 0.000 0.833 639 Q CB -0.276 28.380 28.738 -0.136 0.000 0.896 639 Q HN 0.388 nan 8.270 nan 0.000 0.434 640 V N 0.368 120.270 119.914 -0.021 0.000 2.261 640 V HA -0.286 3.834 4.120 0.000 0.000 0.246 640 V C 2.275 178.294 176.094 -0.125 0.000 1.047 640 V CA 1.767 64.041 62.300 -0.042 0.000 1.015 640 V CB -0.679 31.006 31.823 -0.230 0.000 0.642 640 V HN 0.394 nan 8.190 nan 0.000 0.446 641 L N -0.042 121.061 121.223 -0.200 0.000 1.978 641 L HA -0.286 4.054 4.340 0.000 0.000 0.218 641 L C 2.764 179.576 176.870 -0.097 0.000 1.075 641 L CA 2.040 56.742 54.840 -0.229 0.000 0.767 641 L CB -0.866 41.075 42.059 -0.196 0.000 0.890 641 L HN 0.415 nan 8.230 nan 0.000 0.434 642 A N -0.497 122.294 122.820 -0.048 0.000 1.948 642 A HA -0.272 4.048 4.320 0.000 0.000 0.220 642 A C 2.139 179.722 177.584 -0.002 0.000 1.177 642 A CA 2.099 54.134 52.037 -0.004 0.000 0.636 642 A CB -0.699 18.309 19.000 0.013 0.000 0.815 642 A HN 0.371 nan 8.150 nan 0.000 0.449 643 L N -0.627 120.587 121.223 -0.015 0.000 1.973 643 L HA -0.025 4.315 4.340 0.000 0.000 0.208 643 L C 2.318 179.270 176.870 0.137 0.000 1.073 643 L CA 2.129 56.966 54.840 -0.005 0.000 0.746 643 L CB -0.646 41.416 42.059 0.004 0.000 0.891 643 L HN 0.452 nan 8.230 nan 0.000 0.433 644 L N -0.529 120.759 121.223 0.108 0.000 2.351 644 L HA -0.162 4.178 4.340 0.000 0.000 0.220 644 L C 2.203 179.135 176.870 0.103 0.000 1.127 644 L CA 1.395 56.314 54.840 0.131 0.000 0.786 644 L CB -0.375 41.708 42.059 0.040 0.000 0.914 644 L HN 0.375 nan 8.230 nan 0.000 0.443 645 A N -0.786 122.073 122.820 0.066 0.000 1.968 645 A HA -0.127 4.193 4.320 0.000 0.000 0.217 645 A C 2.148 179.785 177.584 0.089 0.000 1.169 645 A CA 1.114 53.183 52.037 0.053 0.000 0.638 645 A CB -0.340 18.678 19.000 0.029 0.000 0.812 645 A HN 0.516 nan 8.150 nan 0.000 0.446 646 E N 0.108 120.397 120.200 0.148 0.000 2.017 646 E HA -0.188 4.162 4.350 0.000 0.000 0.193 646 E C 2.392 179.095 176.600 0.172 0.000 0.997 646 E CA 1.253 57.775 56.400 0.203 0.000 0.804 646 E CB -0.458 29.466 29.700 0.373 0.000 0.757 646 E HN 0.543 nan 8.360 nan 0.000 0.448 647 A N 1.144 124.077 122.820 0.188 0.000 2.042 647 A HA -0.185 4.135 4.320 0.000 0.000 0.222 647 A C 2.240 179.829 177.584 0.009 0.000 1.167 647 A CA 1.290 53.350 52.037 0.038 0.000 0.649 647 A CB -0.545 18.471 19.000 0.028 0.000 0.809 647 A HN 0.175 nan 8.150 nan 0.000 0.457 648 L N -3.240 118.003 121.223 0.035 0.000 2.298 648 L HA 0.291 4.631 4.340 0.000 0.000 0.209 648 L C 1.801 178.677 176.870 0.010 0.000 1.084 648 L CA 0.720 55.565 54.840 0.009 0.000 0.816 648 L CB -0.267 41.802 42.059 0.016 0.000 0.967 648 L HN 0.606 nan 8.230 nan 0.000 0.460 649 G N -0.643 108.174 108.800 0.029 0.000 1.876 649 G HA2 -0.078 3.882 3.960 0.000 0.000 0.059 649 G HA3 -0.078 3.882 3.960 0.000 0.000 0.059 649 G C -0.228 174.694 174.900 0.036 0.000 0.755 649 G CA -0.113 45.002 45.100 0.026 0.000 1.092 649 G HN -0.164 nan 8.290 nan 0.000 0.322 650 V N 1.904 121.837 119.914 0.031 0.000 3.625 650 V HA 0.419 4.539 4.120 0.000 0.000 0.302 650 V C 0.925 177.046 176.094 0.044 0.000 1.112 650 V CA 1.372 63.693 62.300 0.035 0.000 1.173 650 V CB 0.744 32.586 31.823 0.033 0.000 1.096 650 V HN 1.039 nan 8.190 nan 0.000 0.486 651 R N -0.557 119.971 120.500 0.048 0.000 2.701 651 R HA 0.466 4.806 4.340 0.000 0.000 0.281 651 R C -2.861 173.484 176.300 0.075 0.000 1.367 651 R CA -1.991 54.142 56.100 0.054 0.000 1.510 651 R CB -1.560 28.766 30.300 0.042 0.000 1.306 651 R HN 0.453 nan 8.270 nan 0.000 0.682 652 P HA -0.101 nan 4.420 nan 0.000 0.269 652 P C -1.877 175.548 177.300 0.208 0.000 1.153 652 P CA -0.355 62.855 63.100 0.183 0.000 0.754 652 P CB 0.392 32.227 31.700 0.226 0.000 0.758 653 P HA -0.129 nan 4.420 nan 0.000 0.233 653 P C -0.421 176.707 177.300 -0.287 0.000 1.157 653 P CA 1.160 64.187 63.100 -0.122 0.000 0.764 653 P CB -0.359 31.198 31.700 -0.239 0.000 0.798 654 F N -0.308 119.629 119.950 -0.022 0.000 2.436 654 F HA 0.426 4.953 4.527 0.000 0.000 0.340 654 F C 1.645 177.429 175.800 -0.026 0.000 1.113 654 F CA -0.473 57.513 58.000 -0.024 0.000 1.022 654 F CB 1.391 40.380 39.000 -0.018 0.000 1.128 654 F HN -0.186 nan 8.300 nan 0.000 0.466 655 R N 1.821 122.385 120.500 0.106 0.000 4.137 655 R HA 0.315 4.655 4.340 0.000 0.000 0.082 655 R C -0.583 175.739 176.300 0.037 0.000 0.716 655 R CA -0.375 55.754 56.100 0.049 0.000 1.733 655 R CB 0.361 30.662 30.300 0.003 0.000 1.564 655 R HN 0.483 nan 8.270 nan 0.000 0.427 656 L N -1.210 120.023 121.223 0.018 0.000 2.304 656 L HA 0.648 4.988 4.340 0.000 0.000 0.268 656 L C 1.175 178.077 176.870 0.054 0.000 1.010 656 L CA -0.936 53.923 54.840 0.031 0.000 0.813 656 L CB 1.008 43.070 42.059 0.006 0.000 1.315 656 L HN -0.018 nan 8.230 nan 0.000 0.445 657 H N 0.422 119.477 119.070 -0.025 0.000 2.256 657 H HA -0.057 4.499 4.556 0.000 0.000 0.301 657 H C 1.839 177.134 175.328 -0.054 0.000 1.062 657 H CA 2.359 58.386 56.048 -0.035 0.000 1.283 657 H CB -0.056 29.683 29.762 -0.039 0.000 1.379 657 H HN 0.650 nan 8.280 nan 0.000 0.493 658 L N 0.332 121.522 121.223 -0.054 0.000 2.123 658 L HA -0.271 4.069 4.340 0.000 0.000 0.217 658 L C 1.854 178.626 176.870 -0.164 0.000 1.081 658 L CA 1.980 56.750 54.840 -0.116 0.000 0.772 658 L CB -0.169 41.877 42.059 -0.021 0.000 0.890 658 L HN 0.475 nan 8.230 nan 0.000 0.437 659 E N -0.552 119.562 120.200 -0.143 0.000 2.170 659 E HA -0.048 4.302 4.350 0.000 0.000 0.191 659 E C 2.121 178.571 176.600 -0.249 0.000 0.981 659 E CA 1.026 57.325 56.400 -0.169 0.000 0.830 659 E CB -0.190 29.425 29.700 -0.143 0.000 0.775 659 E HN 0.585 nan 8.360 nan 0.000 0.470 660 A N 1.457 124.125 122.820 -0.253 0.000 2.121 660 A HA -0.152 4.168 4.320 0.000 0.000 0.218 660 A C 2.043 179.487 177.584 -0.234 0.000 1.154 660 A CA 0.863 52.732 52.037 -0.280 0.000 0.679 660 A CB -0.178 18.808 19.000 -0.024 0.000 0.795 660 A HN 0.052 nan 8.150 nan 0.000 0.458 661 Q N 0.360 119.985 119.800 -0.292 0.000 2.046 661 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 661 Q C 1.797 177.710 176.000 -0.144 0.000 0.975 661 Q CA 1.543 57.198 55.803 -0.246 0.000 0.836 661 Q CB -0.381 28.187 28.738 -0.284 0.000 0.896 661 Q HN 0.704 nan 8.270 nan 0.000 0.428 662 K N 0.522 120.832 120.400 -0.151 0.000 2.218 662 K HA -0.118 4.202 4.320 0.000 0.000 0.205 662 K C 2.009 178.544 176.600 -0.107 0.000 1.046 662 K CA 1.084 57.303 56.287 -0.113 0.000 0.933 662 K CB -0.142 32.286 32.500 -0.119 0.000 0.728 662 K HN 0.135 nan 8.250 nan 0.000 0.454 663 A N 1.302 124.028 122.820 -0.156 0.000 1.930 663 A HA -0.109 4.211 4.320 0.000 0.000 0.217 663 A C 2.079 179.663 177.584 -0.001 0.000 1.175 663 A CA 1.160 53.126 52.037 -0.118 0.000 0.627 663 A CB -0.384 18.453 19.000 -0.272 0.000 0.815 663 A HN 0.145 nan 8.150 nan 0.000 0.443 664 L N -1.008 120.217 121.223 0.004 0.000 2.102 664 L HA -0.059 4.281 4.340 0.000 0.000 0.202 664 L C 2.549 179.427 176.870 0.014 0.000 1.076 664 L CA 1.480 56.338 54.840 0.030 0.000 0.761 664 L CB -0.418 41.667 42.059 0.043 0.000 0.921 664 L HN 0.414 nan 8.230 nan 0.000 0.444 665 K N 0.823 121.223 120.400 -0.001 0.000 2.281 665 K HA -0.182 4.138 4.320 0.000 0.000 0.203 665 K C 1.989 178.587 176.600 -0.004 0.000 1.046 665 K CA 1.095 57.383 56.287 0.001 0.000 0.938 665 K CB 0.045 32.540 32.500 -0.009 0.000 0.737 665 K HN 0.273 nan 8.250 nan 0.000 0.458 666 A N 1.643 124.457 122.820 -0.010 0.000 1.845 666 A HA -0.128 4.192 4.320 0.000 0.000 0.215 666 A C 1.831 179.416 177.584 0.001 0.000 1.195 666 A CA 1.278 53.310 52.037 -0.008 0.000 0.616 666 A CB -0.430 18.562 19.000 -0.013 0.000 0.832 666 A HN 0.326 nan 8.150 nan 0.000 0.443 667 R N -0.142 120.360 120.500 0.004 0.000 2.343 667 R HA 0.047 4.387 4.340 0.000 0.000 0.202 667 R C -0.531 175.768 176.300 -0.001 0.000 1.023 667 R CA 0.392 56.491 56.100 -0.001 0.000 1.084 667 R CB -0.371 29.921 30.300 -0.014 0.000 0.956 667 R HN 0.489 nan 8.270 nan 0.000 0.478 668 K N 0.303 120.706 120.400 0.005 0.000 3.619 668 K HA -0.142 4.178 4.320 0.000 0.000 0.275 668 K C -0.856 175.751 176.600 0.012 0.000 0.993 668 K CA 0.296 56.589 56.287 0.010 0.000 0.787 668 K CB -1.158 31.350 32.500 0.015 0.000 1.431 668 K HN 0.034 nan 8.250 nan 0.000 0.451 669 V N 1.833 121.754 119.914 0.013 0.000 2.370 669 V HA 0.305 4.425 4.120 0.000 0.000 0.279 669 V C -1.916 174.191 176.094 0.022 0.000 1.029 669 V CA -2.189 60.121 62.300 0.016 0.000 0.870 669 V CB 1.268 33.103 31.823 0.020 0.000 0.984 669 V HN 0.215 nan 8.190 nan 0.000 0.451 670 P HA 0.020 nan 4.420 nan 0.000 0.264 670 P C 0.103 177.401 177.300 -0.002 0.000 1.173 670 P CA 0.451 63.556 63.100 0.009 0.000 0.761 670 P CB 0.759 32.464 31.700 0.009 0.000 0.794 671 E N 2.705 122.900 120.200 -0.009 0.000 2.040 671 E HA 0.251 4.601 4.350 0.000 0.000 0.205 671 E C 0.168 176.701 176.600 -0.112 0.000 0.936 671 E CA 0.505 56.887 56.400 -0.030 0.000 0.900 671 E CB -0.510 29.193 29.700 0.006 0.000 0.889 671 E HN 0.466 nan 8.360 nan 0.000 0.503 672 A N 0.432 123.199 122.820 -0.087 0.000 2.274 672 A HA 0.482 4.802 4.320 0.000 0.000 0.309 672 A C -0.008 177.535 177.584 -0.069 0.000 1.226 672 A CA -0.086 51.885 52.037 -0.111 0.000 0.853 672 A CB 0.495 19.452 19.000 -0.070 0.000 1.146 672 A HN 0.500 nan 8.150 nan 0.000 0.518 673 M N 0.235 119.790 119.600 -0.075 0.000 2.891 673 M HA -0.178 4.302 4.480 0.000 0.000 0.178 673 M C 0.955 177.237 176.300 -0.030 0.000 0.649 673 M CA 1.323 56.597 55.300 -0.044 0.000 0.675 673 M CB -2.268 30.315 32.600 -0.028 0.000 2.440 673 M HN 1.106 nan 8.290 nan 0.000 0.288 674 G N 0.584 109.364 108.800 -0.032 0.000 2.664 674 G HA2 0.303 4.263 3.960 0.000 0.000 0.242 674 G HA3 0.303 4.263 3.960 0.000 0.000 0.242 674 G C 0.043 174.939 174.900 -0.005 0.000 1.225 674 G CA -0.290 44.802 45.100 -0.014 0.000 0.849 674 G HN 0.407 nan 8.290 nan 0.000 0.581 675 R N 0.886 121.391 120.500 0.009 0.000 2.343 675 R HA 0.306 4.646 4.340 0.000 0.000 0.320 675 R C -0.624 175.697 176.300 0.036 0.000 0.956 675 R CA -0.786 55.327 56.100 0.021 0.000 0.836 675 R CB 0.909 31.223 30.300 0.024 0.000 1.151 675 R HN 0.366 nan 8.270 nan 0.000 0.450 676 L N 4.941 126.193 121.223 0.048 0.000 2.260 676 L HA 0.326 4.666 4.340 0.000 0.000 0.289 676 L C -0.653 176.284 176.870 0.112 0.000 1.057 676 L CA 0.127 55.010 54.840 0.071 0.000 0.811 676 L CB 1.226 43.323 42.059 0.063 0.000 1.184 676 L HN 0.732 nan 8.230 nan 0.000 0.429 677 S N 5.250 121.020 115.700 0.117 0.000 2.452 677 S HA 0.597 5.067 4.470 0.000 0.000 0.284 677 S C -0.703 174.036 174.600 0.233 0.000 1.171 677 S CA -0.600 57.681 58.200 0.136 0.000 1.064 677 S CB 1.010 64.265 63.200 0.092 0.000 0.967 677 S HN 0.548 nan 8.310 nan 0.000 0.484 678 F N 2.774 122.749 119.950 0.042 0.000 3.240 678 F HA 0.427 4.955 4.527 0.000 0.000 0.370 678 F C -0.676 175.154 175.800 0.049 0.000 1.271 678 F CA -0.659 57.368 58.000 0.045 0.000 1.224 678 F CB 0.910 39.939 39.000 0.049 0.000 1.624 678 F HN 0.659 nan 8.300 nan 0.000 0.658 679 R N 4.024 124.266 120.500 -0.430 0.000 2.546 679 R HA 0.812 5.152 4.340 0.000 0.000 0.266 679 R C -1.451 174.419 176.300 -0.717 0.000 1.086 679 R CA -1.071 54.753 56.100 -0.459 0.000 1.160 679 R CB 1.495 31.669 30.300 -0.209 0.000 1.138 679 R HN 0.762 nan 8.270 nan 0.000 0.567 680 L N 0.904 121.864 121.223 -0.439 0.000 2.676 680 L HA 0.246 4.586 4.340 0.000 0.000 0.262 680 L C -1.408 175.355 176.870 -0.179 0.000 0.932 680 L CA -0.379 54.269 54.840 -0.321 0.000 0.932 680 L CB 1.539 43.398 42.059 -0.334 0.000 1.355 680 L HN 0.578 nan 8.230 nan 0.000 0.421 681 K N 4.886 125.214 120.400 -0.120 0.000 2.533 681 K HA 0.394 4.714 4.320 0.000 0.000 0.207 681 K C -0.965 175.600 176.600 -0.057 0.000 1.052 681 K CA -0.197 56.031 56.287 -0.098 0.000 1.030 681 K CB 0.620 33.067 32.500 -0.088 0.000 1.522 681 K HN 0.644 nan 8.250 nan 0.000 0.543 682 E N 4.098 124.271 120.200 -0.044 0.000 2.335 682 E HA 0.304 4.654 4.350 0.000 0.000 0.280 682 E C -1.753 174.845 176.600 -0.004 0.000 0.918 682 E CA -0.862 55.530 56.400 -0.014 0.000 0.765 682 E CB 1.224 30.929 29.700 0.008 0.000 1.218 682 E HN 0.462 nan 8.360 nan 0.000 0.425 683 L N 1.000 122.225 121.223 0.003 0.000 2.455 683 L HA 0.707 5.047 4.340 0.000 0.000 0.264 683 L C -0.868 176.018 176.870 0.026 0.000 0.968 683 L CA -1.106 53.743 54.840 0.016 0.000 0.827 683 L CB 2.097 44.160 42.059 0.007 0.000 1.317 683 L HN 0.443 nan 8.230 nan 0.000 0.407 684 R N 1.842 122.365 120.500 0.039 0.000 2.575 684 R HA 0.398 4.738 4.340 0.000 0.000 0.281 684 R C -2.713 173.619 176.300 0.053 0.000 1.272 684 R CA -1.555 54.571 56.100 0.042 0.000 1.417 684 R CB 0.508 30.835 30.300 0.044 0.000 1.121 684 R HN 0.466 nan 8.270 nan 0.000 0.583 685 P HA 0.062 nan 4.420 nan 0.000 0.271 685 P C -0.622 176.715 177.300 0.062 0.000 1.226 685 P CA -0.153 62.982 63.100 0.059 0.000 0.765 685 P CB 0.857 32.582 31.700 0.041 0.000 0.835 686 K N 1.593 122.052 120.400 0.097 0.000 3.054 686 K HA 0.108 4.428 4.320 0.000 0.000 0.203 686 K C 0.075 176.740 176.600 0.109 0.000 1.126 686 K CA -0.388 55.943 56.287 0.074 0.000 1.023 686 K CB 0.584 33.112 32.500 0.048 0.000 0.722 686 K HN 0.474 nan 8.250 nan 0.000 0.441 687 E N 2.279 122.562 120.200 0.137 0.000 3.231 687 E HA -0.172 4.178 4.350 0.000 0.000 0.271 687 E C -0.591 176.076 176.600 0.112 0.000 0.877 687 E CA 0.909 57.411 56.400 0.170 0.000 0.973 687 E CB 0.488 30.248 29.700 0.100 0.000 0.922 687 E HN 0.169 nan 8.360 nan 0.000 0.532 688 R N 3.320 123.925 120.500 0.175 0.000 2.832 688 R HA 0.485 4.825 4.340 0.000 0.000 0.271 688 R C -0.656 175.698 176.300 0.090 0.000 0.996 688 R CA -0.881 55.237 56.100 0.032 0.000 0.977 688 R CB 1.660 31.836 30.300 -0.206 0.000 1.168 688 R HN 0.373 nan 8.270 nan 0.000 0.482 689 K N -0.036 120.390 120.400 0.044 0.000 2.385 689 K HA 0.774 5.094 4.320 0.000 0.000 0.248 689 K C -0.575 176.062 176.600 0.062 0.000 0.955 689 K CA -0.895 55.427 56.287 0.058 0.000 0.816 689 K CB 2.492 35.013 32.500 0.035 0.000 1.250 689 K HN 0.774 nan 8.250 nan 0.000 0.434 690 G N -0.559 108.293 108.800 0.087 0.000 2.322 690 G HA2 0.416 4.376 3.960 0.000 0.000 0.295 690 G HA3 0.416 4.376 3.960 0.000 0.000 0.295 690 G C -1.044 173.949 174.900 0.155 0.000 1.369 690 G CA -0.257 44.910 45.100 0.112 0.000 0.821 690 G HN 0.487 nan 8.290 nan 0.000 0.536 691 A N -0.922 122.040 122.820 0.236 0.000 2.348 691 A HA 0.714 5.034 4.320 0.000 0.000 0.224 691 A C -0.107 177.692 177.584 0.358 0.000 1.227 691 A CA 0.344 52.540 52.037 0.265 0.000 0.885 691 A CB -0.026 19.135 19.000 0.268 0.000 0.933 691 A HN 0.451 nan 8.150 nan 0.000 0.506 692 F N -1.385 118.617 119.950 0.087 0.000 2.492 692 F HA 0.570 5.097 4.527 0.000 0.000 0.327 692 F C -0.555 175.363 175.800 0.196 0.000 1.079 692 F CA -1.588 56.478 58.000 0.110 0.000 0.967 692 F CB 1.396 40.445 39.000 0.082 0.000 1.169 692 F HN 0.141 nan 8.300 nan 0.000 0.472 693 Y N 3.806 124.178 120.300 0.121 0.000 2.332 693 Y HA 0.465 5.015 4.550 0.000 0.000 0.326 693 Y C -1.022 174.907 175.900 0.049 0.000 0.978 693 Y CA -1.680 56.471 58.100 0.085 0.000 1.205 693 Y CB 0.968 39.453 38.460 0.043 0.000 1.131 693 Y HN 0.454 nan 8.280 nan 0.000 0.462 694 L N 7.499 128.616 121.223 -0.176 0.000 2.451 694 L HA 0.220 4.560 4.340 0.000 0.000 0.272 694 L C 0.929 177.410 176.870 -0.649 0.000 1.258 694 L CA 0.054 54.706 54.840 -0.313 0.000 1.132 694 L CB -0.315 41.619 42.059 -0.209 0.000 1.361 694 L HN 0.533 nan 8.230 nan 0.000 0.438 695 R N 5.724 125.841 120.500 -0.638 0.000 2.486 695 R HA 0.056 4.396 4.340 0.000 0.000 0.303 695 R C -2.113 173.974 176.300 -0.354 0.000 0.958 695 R CA -1.038 54.731 56.100 -0.552 0.000 1.077 695 R CB 0.434 30.548 30.300 -0.311 0.000 0.921 695 R HN 0.231 nan 8.270 nan 0.000 0.406 696 P HA 0.015 nan 4.420 nan 0.000 0.269 696 P C -0.794 176.445 177.300 -0.102 0.000 1.209 696 P CA 0.084 63.076 63.100 -0.180 0.000 0.776 696 P CB 1.193 32.836 31.700 -0.095 0.000 0.876 697 T N -1.266 113.223 114.554 -0.107 0.000 2.841 697 T HA 0.379 4.729 4.350 0.000 0.000 0.296 697 T C 0.941 175.615 174.700 -0.043 0.000 1.166 697 T CA -0.843 61.230 62.100 -0.045 0.000 1.007 697 T CB 1.445 70.297 68.868 -0.026 0.000 1.253 697 T HN 0.345 nan 8.240 nan 0.000 0.511 698 M N -0.385 119.196 119.600 -0.031 0.000 2.115 698 M HA 0.277 4.757 4.480 0.000 0.000 0.261 698 M C -0.254 175.963 176.300 -0.138 0.000 1.079 698 M CA 0.629 55.842 55.300 -0.144 0.000 1.143 698 M CB 0.078 32.508 32.600 -0.284 0.000 1.332 698 M HN 0.660 nan 8.290 nan 0.000 0.421 699 W N 2.584 123.850 121.300 -0.057 0.000 2.158 699 W HA 0.153 4.813 4.660 0.000 0.000 0.339 699 W C -0.073 176.388 176.519 -0.097 0.000 1.294 699 W CA -0.359 56.949 57.345 -0.061 0.000 1.231 699 W CB 0.223 29.654 29.460 -0.049 0.000 1.143 699 W HN -0.034 nan 8.180 nan 0.000 0.571 700 K N 1.475 121.965 120.400 0.151 0.000 2.164 700 K HA 0.467 4.787 4.320 0.000 0.000 0.258 700 K C 0.781 177.361 176.600 -0.034 0.000 0.951 700 K CA -0.344 55.961 56.287 0.030 0.000 0.844 700 K CB 1.366 33.889 32.500 0.038 0.000 1.099 700 K HN 0.398 nan 8.250 nan 0.000 0.435 701 A N 2.024 124.859 122.820 0.025 0.000 1.917 701 A HA -0.206 4.114 4.320 0.000 0.000 0.219 701 A C 1.220 178.755 177.584 -0.082 0.000 1.182 701 A CA 1.891 53.923 52.037 -0.009 0.000 0.633 701 A CB -1.038 17.992 19.000 0.051 0.000 0.819 701 A HN 0.859 nan 8.150 nan 0.000 0.448 702 H N -0.508 118.430 119.070 -0.221 0.000 2.689 702 H HA 0.193 4.749 4.556 0.000 0.000 0.290 702 H C 0.714 175.726 175.328 -0.526 0.000 1.089 702 H CA 0.995 56.830 56.048 -0.355 0.000 1.194 702 H CB -0.558 28.903 29.762 -0.503 0.000 1.289 702 H HN 0.686 nan 8.280 nan 0.000 0.616 703 Q N -0.026 119.436 119.800 -0.563 0.000 2.214 703 Q HA 0.314 4.654 4.340 0.000 0.000 0.229 703 Q C 0.778 176.678 176.000 -0.167 0.000 0.835 703 Q CA 0.151 55.707 55.803 -0.411 0.000 0.953 703 Q CB 0.933 29.543 28.738 -0.213 0.000 1.131 703 Q HN 0.486 nan 8.270 nan 0.000 0.501 704 A N 1.783 124.495 122.820 -0.180 0.000 3.092 704 A HA 0.306 4.626 4.320 0.000 0.000 0.278 704 A C -0.166 177.352 177.584 -0.109 0.000 1.956 704 A CA 0.373 52.305 52.037 -0.175 0.000 1.501 704 A CB -0.800 18.110 19.000 -0.149 0.000 0.977 704 A HN 0.069 nan 8.150 nan 0.000 0.607 705 V N -0.351 119.503 119.914 -0.099 0.000 3.147 705 V HA 0.799 4.919 4.120 0.000 0.000 0.306 705 V C 1.166 177.203 176.094 -0.095 0.000 1.209 705 V CA -0.297 61.976 62.300 -0.045 0.000 1.023 705 V CB 0.820 32.684 31.823 0.070 0.000 1.059 705 V HN 1.585 nan 8.190 nan 0.000 0.435 706 G N 2.261 111.014 108.800 -0.079 0.000 2.665 706 G HA2 -0.289 3.671 3.960 0.000 0.000 0.326 706 G HA3 -0.289 3.671 3.960 0.000 0.000 0.326 706 G C 0.699 175.480 174.900 -0.199 0.000 1.231 706 G CA 0.881 45.921 45.100 -0.101 0.000 0.992 706 G HN 0.713 nan 8.290 nan 0.000 0.549 707 K N 1.291 121.534 120.400 -0.261 0.000 2.365 707 K HA 0.401 4.721 4.320 0.000 0.000 0.197 707 K C 2.537 178.604 176.600 -0.889 0.000 1.042 707 K CA 1.350 57.357 56.287 -0.467 0.000 0.987 707 K CB -0.322 31.970 32.500 -0.348 0.000 0.779 707 K HN 0.730 nan 8.250 nan 0.000 0.484 708 A N 0.942 123.341 122.820 -0.701 0.000 2.208 708 A HA -0.046 4.274 4.320 0.000 0.000 0.209 708 A C 2.020 179.249 177.584 -0.592 0.000 1.161 708 A CA 0.300 51.860 52.037 -0.796 0.000 0.782 708 A CB -0.182 18.566 19.000 -0.420 0.000 0.816 708 A HN 0.271 nan 8.150 nan 0.000 0.477 709 Q N -0.188 119.362 119.800 -0.417 0.000 2.028 709 Q HA -0.251 4.089 4.340 0.000 0.000 0.213 709 Q C 1.485 177.295 176.000 -0.316 0.000 1.017 709 Q CA 2.065 57.690 55.803 -0.297 0.000 0.875 709 Q CB -0.115 28.488 28.738 -0.226 0.000 0.962 709 Q HN 0.574 nan 8.270 nan 0.000 0.413 710 E N -1.108 118.888 120.200 -0.340 0.000 2.435 710 E HA -0.001 4.349 4.350 0.000 0.000 0.195 710 E C 1.019 177.406 176.600 -0.355 0.000 1.029 710 E CA 0.574 56.800 56.400 -0.290 0.000 0.865 710 E CB 0.306 29.872 29.700 -0.223 0.000 0.833 710 E HN 0.328 nan 8.360 nan 0.000 0.510 711 A N 0.027 122.513 122.820 -0.557 0.000 2.278 711 A HA 0.379 4.699 4.320 0.000 0.000 0.212 711 A C 1.710 178.748 177.584 -0.910 0.000 1.213 711 A CA 0.871 52.464 52.037 -0.740 0.000 0.840 711 A CB 0.152 18.545 19.000 -1.012 0.000 0.866 711 A HN 0.173 nan 8.150 nan 0.000 0.489 712 A N -0.440 122.031 122.820 -0.582 0.000 1.964 712 A HA 0.318 4.638 4.320 0.000 0.000 0.198 712 A C 1.102 178.565 177.584 -0.203 0.000 1.599 712 A CA -0.289 51.519 52.037 -0.382 0.000 0.968 712 A CB -0.016 18.788 19.000 -0.328 0.000 1.029 712 A HN 0.365 nan 8.150 nan 0.000 0.508 713 R N 0.901 121.290 120.500 -0.184 0.000 2.638 713 R HA 0.307 4.647 4.340 0.000 0.000 0.268 713 R C 0.760 177.005 176.300 -0.093 0.000 1.006 713 R CA 0.233 56.263 56.100 -0.116 0.000 1.088 713 R CB 0.207 30.442 30.300 -0.108 0.000 0.950 713 R HN 0.519 nan 8.270 nan 0.000 0.419 718 A N 1.418 123.622 122.820 -1.027 0.000 3.464 718 A HA 0.473 4.793 4.320 0.000 0.000 0.243 718 A C -0.255 177.063 177.584 -0.443 0.000 1.100 718 A CA -0.112 51.542 52.037 -0.638 0.000 0.957 718 A CB -0.506 18.320 19.000 -0.290 0.000 1.340 718 A HN 0.318 nan 8.150 nan 0.000 0.645 719 H N -0.152 118.842 119.070 -0.127 0.000 2.143 719 H HA 0.267 4.823 4.556 0.000 0.000 0.238 719 H C -1.848 173.443 175.328 -0.062 0.000 0.914 719 H CA 0.349 56.361 56.048 -0.060 0.000 1.154 719 H CB -1.370 28.395 29.762 0.004 0.000 1.359 719 H HN 0.509 nan 8.280 nan 0.000 0.493 720 P HA 0.207 nan 4.420 nan 0.000 0.286 720 P C -0.049 177.217 177.300 -0.057 0.000 1.261 720 P CA -0.285 62.815 63.100 0.001 0.000 0.821 720 P CB 1.655 33.365 31.700 0.015 0.000 1.013 721 E N 0.915 121.087 120.200 -0.047 0.000 2.194 721 E HA 0.377 4.727 4.350 0.000 0.000 0.284 721 E C -0.541 176.022 176.600 -0.063 0.000 1.035 721 E CA 0.235 56.598 56.400 -0.061 0.000 0.836 721 E CB 0.448 30.124 29.700 -0.041 0.000 1.070 721 E HN 0.370 nan 8.360 nan 0.000 0.401 722 T N 1.279 115.782 114.554 -0.085 0.000 4.350 722 T HA 0.210 4.560 4.350 0.000 0.000 0.164 722 T C -0.086 174.552 174.700 -0.103 0.000 0.638 722 T CA -0.278 61.775 62.100 -0.079 0.000 1.149 722 T CB 0.035 68.849 68.868 -0.089 0.000 1.068 722 T HN 0.544 nan 8.240 nan 0.000 0.531 723 A N 2.359 125.124 122.820 -0.091 0.000 2.667 723 A HA 0.015 4.335 4.320 0.000 0.000 0.225 723 A C 1.981 179.505 177.584 -0.100 0.000 1.190 723 A CA 0.624 52.602 52.037 -0.098 0.000 0.961 723 A CB 0.409 19.371 19.000 -0.062 0.000 1.011 723 A HN 0.707 nan 8.150 nan 0.000 0.503 724 R N 1.604 122.041 120.500 -0.106 0.000 2.073 724 R HA -0.056 4.284 4.340 0.000 0.000 0.234 724 R C 1.281 177.571 176.300 -0.017 0.000 1.134 724 R CA 1.444 57.502 56.100 -0.070 0.000 0.952 724 R CB -1.802 28.466 30.300 -0.054 0.000 0.850 724 R HN 1.167 nan 8.270 nan 0.000 0.433 725 A N 2.620 125.431 122.820 -0.015 0.000 3.052 725 A HA 0.008 4.328 4.320 0.000 0.000 0.285 725 A C 0.108 177.695 177.584 0.004 0.000 1.928 725 A CA 0.311 52.348 52.037 -0.000 0.000 1.453 725 A CB -0.457 18.542 19.000 -0.003 0.000 0.970 725 A HN 0.404 nan 8.150 nan 0.000 0.603 726 E N 0.722 120.930 120.200 0.013 0.000 3.085 726 E HA 0.346 4.696 4.350 0.000 0.000 0.179 726 E C 0.264 176.883 176.600 0.031 0.000 0.951 726 E CA 0.456 56.869 56.400 0.021 0.000 1.326 726 E CB 0.478 30.189 29.700 0.018 0.000 1.043 726 E HN 1.372 nan 8.360 nan 0.000 0.457 727 A N 0.851 123.689 122.820 0.030 0.000 2.996 727 A HA -0.194 4.126 4.320 0.000 0.000 0.257 727 A C -0.061 177.548 177.584 0.041 0.000 1.394 727 A CA 0.691 52.747 52.037 0.032 0.000 0.820 727 A CB -2.176 16.842 19.000 0.031 0.000 1.054 727 A HN 0.277 nan 8.150 nan 0.000 0.619 728 L N -0.005 121.248 121.223 0.050 0.000 2.337 728 L HA 0.433 4.773 4.340 0.000 0.000 0.269 728 L C -2.065 174.857 176.870 0.086 0.000 1.018 728 L CA -1.900 52.981 54.840 0.068 0.000 0.876 728 L CB 1.148 43.254 42.059 0.078 0.000 1.236 728 L HN 0.127 nan 8.230 nan 0.000 0.436 729 P HA 0.094 nan 4.420 nan 0.000 0.273 729 P C -0.484 176.847 177.300 0.052 0.000 1.250 729 P CA -0.503 62.629 63.100 0.053 0.000 0.793 729 P CB 0.580 32.294 31.700 0.023 0.000 1.011 730 E N 0.824 121.035 120.200 0.018 0.000 2.265 730 E HA 0.250 4.600 4.350 0.000 0.000 0.272 730 E C 1.082 177.610 176.600 -0.121 0.000 1.067 730 E CA 0.496 56.850 56.400 -0.077 0.000 0.900 730 E CB -0.168 29.472 29.700 -0.100 0.000 1.017 730 E HN 0.779 nan 8.360 nan 0.000 0.431 731 G N 2.678 111.376 108.800 -0.169 0.000 2.221 731 G HA2 -0.239 3.721 3.960 0.000 0.000 0.265 731 G HA3 -0.239 3.721 3.960 0.000 0.000 0.265 731 G C 0.272 175.125 174.900 -0.079 0.000 1.041 731 G CA 0.268 45.281 45.100 -0.145 0.000 0.807 731 G HN 0.701 nan 8.290 nan 0.000 0.502 732 A N -0.220 122.574 122.820 -0.044 0.000 2.305 732 A HA 0.739 5.059 4.320 0.000 0.000 0.322 732 A C 0.412 177.988 177.584 -0.013 0.000 1.187 732 A CA -0.457 51.567 52.037 -0.023 0.000 0.825 732 A CB 0.727 19.725 19.000 -0.003 0.000 1.164 732 A HN 0.308 nan 8.150 nan 0.000 0.498 733 Q N 1.641 121.431 119.800 -0.016 0.000 2.344 733 Q HA 0.325 4.665 4.340 0.000 0.000 0.253 733 Q C 0.253 176.255 176.000 0.003 0.000 1.050 733 Q CA 0.018 55.814 55.803 -0.012 0.000 0.912 733 Q CB 0.726 29.452 28.738 -0.021 0.000 1.258 733 Q HN 0.726 nan 8.270 nan 0.000 0.443 734 V N -0.730 119.194 119.914 0.016 0.000 3.284 734 V HA 0.990 5.110 4.120 0.000 0.000 0.309 734 V C -0.442 175.672 176.094 0.033 0.000 1.190 734 V CA -1.060 61.258 62.300 0.029 0.000 1.038 734 V CB 1.770 33.621 31.823 0.047 0.000 1.198 734 V HN 0.634 nan 8.190 nan 0.000 0.465 735 A N 0.183 123.029 122.820 0.043 0.000 2.356 735 A HA 0.943 5.263 4.320 0.000 0.000 0.323 735 A C -0.877 176.748 177.584 0.068 0.000 1.119 735 A CA -0.690 51.374 52.037 0.044 0.000 0.790 735 A CB 1.806 20.825 19.000 0.032 0.000 1.273 735 A HN 1.539 nan 8.150 nan 0.000 0.452 736 V N 0.864 120.819 119.914 0.070 0.000 2.891 736 V HA 0.460 4.580 4.120 0.000 0.000 0.304 736 V C -0.698 175.419 176.094 0.037 0.000 1.171 736 V CA -0.553 61.801 62.300 0.090 0.000 0.943 736 V CB 1.904 33.837 31.823 0.184 0.000 1.037 736 V HN 1.011 nan 8.190 nan 0.000 0.427 737 E N 2.441 122.624 120.200 -0.027 0.000 2.199 737 E HA 0.740 5.090 4.350 0.000 0.000 0.265 737 E C -0.755 175.766 176.600 -0.132 0.000 0.882 737 E CA -0.310 56.059 56.400 -0.051 0.000 0.759 737 E CB 2.023 31.695 29.700 -0.045 0.000 1.148 737 E HN 0.922 nan 8.360 nan 0.000 0.412 738 T N 0.789 115.308 114.554 -0.059 0.000 2.901 738 T HA 0.419 4.769 4.350 0.000 0.000 0.293 738 T C -2.214 172.504 174.700 0.031 0.000 1.084 738 T CA -1.929 60.143 62.100 -0.047 0.000 1.008 738 T CB 1.486 70.381 68.868 0.045 0.000 1.170 738 T HN 0.140 nan 8.240 nan 0.000 0.509 739 P HA -0.021 nan 4.420 nan 0.000 0.219 739 P C 0.390 177.570 177.300 -0.200 0.000 1.144 739 P CA 1.064 64.096 63.100 -0.112 0.000 0.806 739 P CB -0.188 31.407 31.700 -0.175 0.000 0.771 740 F N -1.229 118.684 119.950 -0.061 0.000 2.664 740 F HA 0.442 4.969 4.527 0.000 0.000 0.301 740 F C 1.628 177.419 175.800 -0.014 0.000 1.126 740 F CA 0.426 58.403 58.000 -0.038 0.000 1.373 740 F CB -0.406 38.595 39.000 0.001 0.000 1.042 740 F HN -0.076 nan 8.300 nan 0.000 0.535 741 G N 0.613 109.474 108.800 0.102 0.000 2.434 741 G HA2 -0.082 3.878 3.960 0.000 0.000 0.671 741 G HA3 -0.082 3.878 3.960 0.000 0.000 0.671 741 G C -1.232 173.712 174.900 0.073 0.000 1.280 741 G CA -1.225 43.923 45.100 0.080 0.000 0.975 741 G HN 0.268 nan 8.290 nan 0.000 0.510 742 R N -0.632 119.907 120.500 0.065 0.000 2.460 742 R HA 0.758 5.098 4.340 0.000 0.000 0.303 742 R C -0.181 176.150 176.300 0.052 0.000 0.968 742 R CA -0.133 55.997 56.100 0.049 0.000 0.889 742 R CB 1.554 31.876 30.300 0.037 0.000 1.123 742 R HN 1.702 nan 8.270 nan 0.000 0.455 743 V N 0.365 120.308 119.914 0.049 0.000 3.048 743 V HA 0.456 4.576 4.120 0.000 0.000 0.303 743 V C -0.932 175.181 176.094 0.033 0.000 1.214 743 V CA -1.152 61.171 62.300 0.037 0.000 0.984 743 V CB 1.814 33.663 31.823 0.043 0.000 1.054 743 V HN 0.948 nan 8.190 nan 0.000 0.430 744 E N 3.310 123.518 120.200 0.015 0.000 2.283 744 E HA 0.905 5.255 4.350 0.000 0.000 0.271 744 E C -0.094 176.508 176.600 0.004 0.000 1.031 744 E CA -0.322 56.085 56.400 0.011 0.000 0.868 744 E CB 2.184 31.883 29.700 -0.002 0.000 1.094 744 E HN 1.410 nan 8.360 nan 0.000 0.401 745 A N 2.029 124.854 122.820 0.009 0.000 3.065 745 A HA 0.800 5.120 4.320 0.000 0.000 0.293 745 A C -1.238 176.346 177.584 -0.001 0.000 1.213 745 A CA -0.925 51.113 52.037 0.001 0.000 0.667 745 A CB 1.263 20.271 19.000 0.014 0.000 1.412 745 A HN 0.800 nan 8.150 nan 0.000 0.601 746 R N -1.682 118.820 120.500 0.004 0.000 2.579 746 R HA 0.495 4.835 4.340 0.000 0.000 0.260 746 R C 0.081 176.393 176.300 0.020 0.000 1.103 746 R CA -0.100 55.997 56.100 -0.006 0.000 0.942 746 R CB 0.958 31.230 30.300 -0.047 0.000 1.251 746 R HN 2.168 nan 8.270 nan 0.000 0.450 747 V N -0.075 119.868 119.914 0.047 0.000 1.840 747 V HA -0.266 3.854 4.120 0.000 0.000 0.071 747 V C 0.598 176.932 176.094 0.400 0.000 0.454 747 V CA 1.638 64.044 62.300 0.177 0.000 1.424 747 V CB -1.736 29.922 31.823 -0.274 0.000 1.688 747 V HN 0.769 nan 8.190 nan 0.000 0.841 748 V N 4.566 124.610 119.914 0.216 0.000 2.954 748 V HA -0.156 3.964 4.120 0.000 0.000 0.254 748 V C 2.242 178.443 176.094 0.177 0.000 0.947 748 V CA 1.353 63.746 62.300 0.156 0.000 1.154 748 V CB -0.572 31.271 31.823 0.033 0.000 0.870 748 V HN 1.020 nan 8.190 nan 0.000 0.470 749 H N 5.336 124.493 119.070 0.144 0.000 2.321 749 H HA -0.153 4.403 4.556 0.000 0.000 0.295 749 H C 1.605 176.880 175.328 -0.087 0.000 1.102 749 H CA 2.067 58.118 56.048 0.006 0.000 1.266 749 H CB -0.080 29.684 29.762 0.004 0.000 1.363 749 H HN 0.667 nan 8.280 nan 0.000 0.492 750 R N -1.009 119.359 120.500 -0.219 0.000 3.208 750 R HA 0.310 4.650 4.340 0.000 0.000 0.143 750 R C -0.642 175.520 176.300 -0.230 0.000 0.859 750 R CA -0.693 55.282 56.100 -0.207 0.000 0.568 750 R CB 0.914 31.166 30.300 -0.081 0.000 0.945 750 R HN -0.044 nan 8.270 nan 0.000 0.368 751 E N 1.929 122.020 120.200 -0.183 0.000 2.114 751 E HA 0.217 4.567 4.350 0.000 0.000 0.266 751 E C -1.434 175.045 176.600 -0.201 0.000 0.896 751 E CA -0.346 55.977 56.400 -0.129 0.000 0.750 751 E CB 1.327 31.030 29.700 0.005 0.000 1.121 751 E HN 0.317 nan 8.360 nan 0.000 0.413 752 D N 0.963 121.251 120.400 -0.187 0.000 2.423 752 D HA 0.193 4.833 4.640 0.000 0.000 0.238 752 D C 0.462 176.678 176.300 -0.140 0.000 1.142 752 D CA 0.211 54.110 54.000 -0.170 0.000 0.884 752 D CB 0.890 41.621 40.800 -0.115 0.000 1.199 752 D HN 0.200 nan 8.370 nan 0.000 0.438 753 V N -0.830 118.983 119.914 -0.168 0.000 3.103 753 V HA 0.796 4.916 4.120 0.000 0.000 0.311 753 V C -2.859 173.129 176.094 -0.176 0.000 1.322 753 V CA -1.626 60.549 62.300 -0.209 0.000 1.063 753 V CB 1.857 33.403 31.823 -0.462 0.000 1.090 753 V HN 0.423 nan 8.190 nan 0.000 0.462 754 P HA 0.460 nan 4.420 nan 0.000 0.339 754 P C -1.656 175.573 177.300 -0.117 0.000 1.229 754 P CA -0.643 62.434 63.100 -0.037 0.000 0.786 754 P CB 0.571 32.364 31.700 0.156 0.000 1.800 755 K N -0.115 120.321 120.400 0.060 0.000 2.258 755 K HA 0.561 4.881 4.320 0.000 0.000 0.284 755 K C 0.209 176.829 176.600 0.034 0.000 1.051 755 K CA -0.276 55.940 56.287 -0.118 0.000 0.923 755 K CB -0.500 31.732 32.500 -0.447 0.000 1.046 755 K HN 0.724 nan 8.250 nan 0.000 0.474 756 G N 3.721 112.519 108.800 -0.004 0.000 2.452 756 G HA2 -0.156 3.804 3.960 0.000 0.000 0.275 756 G HA3 -0.156 3.804 3.960 0.000 0.000 0.275 756 G C -0.827 174.351 174.900 0.463 0.000 1.131 756 G CA 0.050 45.182 45.100 0.053 0.000 1.031 756 G HN 1.155 nan 8.290 nan 0.000 0.511 757 H N -2.259 116.764 119.070 -0.078 0.000 3.057 757 H HA 0.419 4.975 4.556 0.000 0.000 0.295 757 H C -0.723 174.548 175.328 -0.096 0.000 1.131 757 H CA -1.545 54.481 56.048 -0.038 0.000 1.560 757 H CB 0.043 29.682 29.762 -0.205 0.000 2.108 757 H HN 0.658 nan 8.280 nan 0.000 0.487 758 L N 1.009 122.257 121.223 0.042 0.000 3.263 758 L HA 0.258 4.598 4.340 0.000 0.000 0.349 758 L C -0.790 176.177 176.870 0.161 0.000 1.313 758 L CA -0.319 54.497 54.840 -0.040 0.000 0.830 758 L CB -0.566 41.479 42.059 -0.023 0.000 1.271 758 L HN 0.438 nan 8.230 nan 0.000 0.596 759 Y N 0.547 120.924 120.300 0.128 0.000 2.458 759 Y HA 0.728 5.278 4.550 0.000 0.000 0.322 759 Y C 0.236 176.284 175.900 0.248 0.000 1.259 759 Y CA -0.779 57.435 58.100 0.190 0.000 1.302 759 Y CB 1.222 39.770 38.460 0.147 0.000 1.314 759 Y HN -0.029 nan 8.280 nan 0.000 0.509 760 L N 1.446 122.988 121.223 0.531 0.000 2.357 760 L HA 0.562 4.902 4.340 0.000 0.000 0.273 760 L C 0.098 177.121 176.870 0.255 0.000 1.080 760 L CA 0.024 55.081 54.840 0.362 0.000 0.803 760 L CB 1.285 43.497 42.059 0.255 0.000 1.174 760 L HN 0.716 nan 8.230 nan 0.000 0.443 761 S N 0.413 116.248 115.700 0.225 0.000 2.880 761 S HA 0.900 5.370 4.470 0.000 0.000 0.308 761 S C -0.670 173.961 174.600 0.052 0.000 1.195 761 S CA -0.598 57.677 58.200 0.124 0.000 0.866 761 S CB 0.825 64.115 63.200 0.150 0.000 1.254 761 S HN 0.736 nan 8.310 nan 0.000 0.571 762 A N 0.728 123.519 122.820 -0.049 0.000 2.440 762 A HA 0.562 4.882 4.320 0.000 0.000 0.251 762 A C 0.012 177.361 177.584 -0.391 0.000 1.089 762 A CA -0.529 51.426 52.037 -0.137 0.000 0.779 762 A CB -0.466 18.461 19.000 -0.123 0.000 1.022 762 A HN 0.972 nan 8.150 nan 0.000 0.492 763 L N 2.268 123.290 121.223 -0.335 0.000 2.452 763 L HA 0.611 4.951 4.340 0.000 0.000 0.267 763 L C 0.527 177.146 176.870 -0.419 0.000 1.188 763 L CA 0.708 55.227 54.840 -0.534 0.000 0.821 763 L CB 1.065 43.156 42.059 0.054 0.000 1.102 763 L HN 0.921 nan 8.230 nan 0.000 0.470 764 G N 3.674 112.244 108.800 -0.382 0.000 3.411 764 G HA2 0.133 4.093 3.960 0.000 0.000 0.241 764 G HA3 0.133 4.093 3.960 0.000 0.000 0.241 764 G C -2.909 171.984 174.900 -0.011 0.000 3.906 764 G CA -0.289 44.724 45.100 -0.145 0.000 0.435 764 G HN 0.492 nan 8.290 nan 0.000 0.284 765 P HA 0.438 nan 4.420 nan 0.000 0.206 765 P C 0.831 178.173 177.300 0.070 0.000 1.854 765 P CA -0.051 63.126 63.100 0.128 0.000 0.969 765 P CB 0.446 32.255 31.700 0.183 0.000 1.843 766 A N 1.587 124.431 122.820 0.040 0.000 2.610 766 A HA 0.220 4.540 4.320 0.000 0.000 0.250 766 A C 0.873 178.475 177.584 0.030 0.000 0.978 766 A CA 0.689 52.742 52.037 0.027 0.000 0.827 766 A CB -0.256 18.755 19.000 0.017 0.000 0.867 766 A HN 0.559 nan 8.150 nan 0.000 0.495 767 A N 0.000 122.835 122.820 0.025 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 0.023 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