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 2iah_1_A DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVAXXXXX XXXXXXXXXX XXXXXTITED DATA SEQUENCE SGSYTPGTIA TATRLVLTPR ETPQSITVVT RQNMDDFGLN NIDDVMRHTP DATA SEQUENCE GITVSAYDTD RNNYYARGFS INNFQYDGIP STARNVGYSA GNTLSDMAIY DATA SEQUENCE DRVEVLKGAT GLLTGAGSLG ATINLIRKKP THEFKGHVEL GAGSWDNYRS DATA SEQUENCE ELDVSGPLTE SGNVRGRAVA AYQDKHSFMD HYERKTSVYY GILEFDLNPD DATA SEQUENCE TMLTVGADYQ DNDPKGSGWS GSFPLFDSQG NRNDVSRSFN NGAKWSSWEQ DATA SEQUENCE YTRTVFANLE HNFANGWVGK VQLDHKINGY HAPLGAIMGD WPAPDNSAKI DATA SEQUENCE VAQKYTGETK SNSLDIYLTG PFQFLGREHE LVVGTSASFS HWEGKSYWNL DATA SEQUENCE RNYDNTTDDF INWDGDIGKP DWGTPSQYID DKTRQLGSYM TARFNVTDDL DATA SEQUENCE NLFLGGRVVD YRVTGLNPTI RESGRFIPYV GAVYDLNDTY SVYASYTDIF DATA SEQUENCE MPQDSWYRDS SNKLLEPDEG QNYEIGIKGE YLDGRLNTSL AYFEIHEENR DATA SEQUENCE AEEDALYNSK PTNPAITYAY KGIKAKTKGY EAEISGELAP GWQVQAGYTH DATA SEQUENCE KIIRDDSGKK VSTWEPQDQL SLYTSYKFKG ALDKLTVGGG ARWQGKSWQM DATA SEQUENCE VYNNPRSRWE KFSQEDYWLV DLMARYQITD KLSASVNVNN VFDKTYYTNI DATA SEQUENCE GFYTSASYGD PRNLMFSTRW DF 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 44 Q HA 0.000 nan 4.340 nan 0.000 0.214 44 Q C 0.000 176.022 176.000 0.036 0.000 1.003 44 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 44 Q CB 0.000 28.741 28.738 0.006 0.000 1.108 45 E N 0.468 120.686 120.200 0.031 0.000 2.200 45 E HA 0.612 4.962 4.350 0.000 0.000 0.283 45 E C -0.423 176.183 176.600 0.011 0.000 1.015 45 E CA -0.686 55.744 56.400 0.051 0.000 0.819 45 E CB 1.882 31.612 29.700 0.049 0.000 1.081 45 E HN 0.545 nan 8.360 nan 0.000 0.397 46 V N 2.290 122.213 119.914 0.016 0.000 2.769 46 V HA 0.274 4.394 4.120 0.000 0.000 0.312 46 V C -0.067 175.870 176.094 -0.262 0.000 1.058 46 V CA -0.935 61.245 62.300 -0.200 0.000 0.952 46 V CB 1.827 33.394 31.823 -0.425 0.000 1.019 46 V HN 0.665 nan 8.190 nan 0.000 0.445 47 E N 1.356 121.345 120.200 -0.352 0.000 2.227 47 E HA 0.562 4.912 4.350 0.000 0.000 0.282 47 E C -1.675 174.674 176.600 -0.417 0.000 1.015 47 E CA -0.273 55.991 56.400 -0.226 0.000 0.823 47 E CB 0.877 30.504 29.700 -0.121 0.000 1.081 47 E HN 0.495 nan 8.360 nan 0.000 0.396 48 F N 1.266 121.207 119.950 -0.014 0.000 2.561 48 F HA 0.549 5.076 4.527 0.000 0.000 0.321 48 F C 0.292 176.095 175.800 0.006 0.000 1.065 48 F CA -0.244 57.751 58.000 -0.007 0.000 0.934 48 F CB 2.324 41.337 39.000 0.022 0.000 1.215 48 F HN 0.481 nan 8.300 nan 0.000 0.471 49 D N 2.555 123.082 120.400 0.211 0.000 2.351 49 D HA 0.606 5.246 4.640 0.000 0.000 0.235 49 D C -1.201 175.171 176.300 0.120 0.000 1.331 49 D CA -0.226 53.851 54.000 0.128 0.000 0.959 49 D CB 0.267 41.107 40.800 0.066 0.000 1.432 49 D HN 0.529 nan 8.370 nan 0.000 0.544 50 I N 2.401 123.045 120.570 0.124 0.000 2.493 50 I HA 0.399 4.569 4.170 0.000 0.000 0.279 50 I C -2.295 173.856 176.117 0.058 0.000 1.045 50 I CA -1.901 59.457 61.300 0.098 0.000 1.106 50 I CB 2.567 40.648 38.000 0.136 0.000 1.216 50 I HN 0.222 nan 8.210 nan 0.000 0.459 51 P HA 0.284 nan 4.420 nan 0.000 0.274 51 P C -2.673 174.636 177.300 0.014 0.000 1.256 51 P CA -1.724 61.390 63.100 0.025 0.000 0.795 51 P CB -0.387 31.326 31.700 0.022 0.000 1.038 52 P HA 0.090 nan 4.420 nan 0.000 0.267 52 P C -0.283 177.016 177.300 -0.002 0.000 1.209 52 P CA 0.631 63.729 63.100 -0.003 0.000 0.763 52 P CB 0.147 31.844 31.700 -0.004 0.000 0.816 53 Q N 1.858 121.653 119.800 -0.008 0.000 2.685 53 Q HA 0.659 4.999 4.340 0.000 0.000 0.301 53 Q C -1.358 174.632 176.000 -0.016 0.000 0.924 53 Q CA -1.381 54.418 55.803 -0.006 0.000 0.755 53 Q CB 1.038 29.776 28.738 0.001 0.000 1.470 53 Q HN 0.291 nan 8.270 nan 0.000 0.434 54 A N 1.387 124.200 122.820 -0.011 0.000 2.545 54 A HA 0.112 4.432 4.320 0.000 0.000 0.253 54 A C 0.933 178.497 177.584 -0.033 0.000 1.074 54 A CA -0.183 51.844 52.037 -0.015 0.000 0.760 54 A CB -0.142 18.857 19.000 -0.002 0.000 1.005 54 A HN 0.737 nan 8.150 nan 0.000 0.506 55 L N 4.024 125.216 121.223 -0.051 0.000 2.064 55 L HA -0.198 4.142 4.340 0.000 0.000 0.216 55 L C 2.338 179.111 176.870 -0.161 0.000 1.077 55 L CA 2.995 57.775 54.840 -0.099 0.000 0.766 55 L CB -0.783 41.216 42.059 -0.101 0.000 0.890 55 L HN 0.796 nan 8.230 nan 0.000 0.435 56 G N -2.345 106.381 108.800 -0.123 0.000 2.432 56 G HA2 -0.218 3.743 3.960 0.000 0.000 0.219 56 G HA3 -0.218 3.743 3.960 0.000 0.000 0.219 56 G C 1.536 176.376 174.900 -0.099 0.000 1.135 56 G CA 0.848 45.844 45.100 -0.173 0.000 0.767 56 G HN 0.515 nan 8.290 nan 0.000 0.550 57 S N 1.040 116.722 115.700 -0.029 0.000 2.387 57 S HA 0.077 4.547 4.470 0.000 0.000 0.226 57 S C 2.685 177.281 174.600 -0.007 0.000 1.026 57 S CA 0.967 59.169 58.200 0.005 0.000 0.972 57 S CB -0.207 63.002 63.200 0.015 0.000 0.814 57 S HN 0.545 nan 8.310 nan 0.000 0.477 58 A N 1.198 123.994 122.820 -0.038 0.000 2.014 58 A HA 0.168 4.488 4.320 0.000 0.000 0.218 58 A C 2.024 179.601 177.584 -0.011 0.000 1.163 58 A CA 0.706 52.735 52.037 -0.014 0.000 0.652 58 A CB -0.514 18.465 19.000 -0.035 0.000 0.808 58 A HN 0.437 nan 8.150 nan 0.000 0.449 59 L N -1.163 119.978 121.223 -0.136 0.000 2.072 59 L HA -0.154 4.186 4.340 0.000 0.000 0.205 59 L C 3.331 180.207 176.870 0.010 0.000 1.079 59 L CA 1.349 56.089 54.840 -0.167 0.000 0.752 59 L CB -0.847 40.880 42.059 -0.554 0.000 0.906 59 L HN 0.547 nan 8.230 nan 0.000 0.436 60 Q N 0.496 120.300 119.800 0.007 0.000 2.170 60 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 60 Q C 2.136 178.195 176.000 0.099 0.000 0.976 60 Q CA 1.963 57.823 55.803 0.095 0.000 0.858 60 Q CB -1.193 27.609 28.738 0.106 0.000 0.907 60 Q HN 0.685 nan 8.270 nan 0.000 0.433 61 E N -0.894 119.364 120.200 0.097 0.000 2.318 61 E HA 0.148 4.498 4.350 0.000 0.000 0.193 61 E C 1.619 178.308 176.600 0.149 0.000 0.998 61 E CA 0.647 57.106 56.400 0.099 0.000 0.859 61 E CB -0.562 29.187 29.700 0.082 0.000 0.812 61 E HN 0.792 nan 8.360 nan 0.000 0.492 62 F N 1.625 121.603 119.950 0.047 0.000 2.134 62 F HA 0.088 4.615 4.527 0.000 0.000 0.299 62 F C 2.514 178.383 175.800 0.116 0.000 1.097 62 F CA 1.973 60.032 58.000 0.100 0.000 1.264 62 F CB -0.413 38.608 39.000 0.034 0.000 1.001 62 F HN 0.236 nan 8.300 nan 0.000 0.479 63 G N -0.253 108.647 108.800 0.167 0.000 2.440 63 G HA2 -0.342 3.618 3.960 0.000 0.000 0.218 63 G HA3 -0.342 3.618 3.960 0.000 0.000 0.218 63 G C 1.824 176.709 174.900 -0.025 0.000 1.154 63 G CA 1.431 46.572 45.100 0.069 0.000 0.767 63 G HN 0.538 nan 8.290 nan 0.000 0.552 64 R N 0.107 120.602 120.500 -0.009 0.000 2.092 64 R HA 0.076 4.416 4.340 0.000 0.000 0.231 64 R C 2.294 178.534 176.300 -0.101 0.000 1.119 64 R CA 1.891 57.969 56.100 -0.037 0.000 0.970 64 R CB -1.039 29.255 30.300 -0.010 0.000 0.864 64 R HN 0.555 nan 8.270 nan 0.000 0.440 65 Q N -1.077 118.643 119.800 -0.132 0.000 2.365 65 Q HA 0.361 4.701 4.340 0.000 0.000 0.203 65 Q C 0.911 176.641 176.000 -0.450 0.000 0.929 65 Q CA 0.514 56.171 55.803 -0.244 0.000 0.948 65 Q CB 0.831 29.490 28.738 -0.132 0.000 1.043 65 Q HN 0.646 nan 8.270 nan 0.000 0.505 66 A N -0.017 122.591 122.820 -0.354 0.000 2.653 66 A HA 0.083 4.403 4.320 0.000 0.000 0.248 66 A C 0.034 177.512 177.584 -0.175 0.000 1.211 66 A CA -0.128 51.712 52.037 -0.328 0.000 0.991 66 A CB 0.681 19.401 19.000 -0.466 0.000 1.252 66 A HN 0.229 nan 8.150 nan 0.000 0.593 67 D N -0.957 119.361 120.400 -0.137 0.000 2.689 67 D HA -0.198 4.442 4.640 0.000 0.000 0.237 67 D C -0.168 176.117 176.300 -0.024 0.000 1.148 67 D CA 1.489 55.448 54.000 -0.067 0.000 0.656 67 D CB -2.033 38.730 40.800 -0.062 0.000 1.050 67 D HN 1.348 nan 8.370 nan 0.000 0.426 68 I N -1.552 119.014 120.570 -0.006 0.000 2.828 68 I HA 0.864 5.034 4.170 0.000 0.000 0.302 68 I C 0.702 176.869 176.117 0.083 0.000 1.101 68 I CA -0.204 61.129 61.300 0.055 0.000 1.031 68 I CB 1.273 39.335 38.000 0.103 0.000 1.231 68 I HN 0.303 nan 8.210 nan 0.000 0.427 69 Q N 2.219 122.074 119.800 0.091 0.000 2.267 69 Q HA 0.813 5.153 4.340 0.000 0.000 0.255 69 Q C -0.509 175.569 176.000 0.130 0.000 0.923 69 Q CA -0.032 55.829 55.803 0.097 0.000 0.925 69 Q CB 0.765 29.549 28.738 0.076 0.000 1.195 69 Q HN 2.703 nan 8.270 nan 0.000 0.417 70 V N 2.391 122.395 119.914 0.150 0.000 2.357 70 V HA 0.750 4.870 4.120 0.000 0.000 0.284 70 V C -0.304 175.911 176.094 0.201 0.000 1.018 70 V CA -0.898 61.509 62.300 0.178 0.000 0.841 70 V CB 1.311 33.252 31.823 0.196 0.000 0.991 70 V HN 0.845 nan 8.190 nan 0.000 0.437 71 L N 6.685 128.004 121.223 0.161 0.000 2.305 71 L HA 0.820 5.160 4.340 0.000 0.000 0.284 71 L C -0.533 176.430 176.870 0.156 0.000 1.013 71 L CA -0.885 54.016 54.840 0.102 0.000 0.819 71 L CB 1.192 43.267 42.059 0.026 0.000 1.227 71 L HN 0.837 nan 8.230 nan 0.000 0.417 72 Y N 0.742 121.004 120.300 -0.063 0.000 2.552 72 Y HA 0.614 5.164 4.550 0.000 0.000 0.337 72 Y C -1.008 174.844 175.900 -0.079 0.000 1.094 72 Y CA -1.652 56.409 58.100 -0.064 0.000 1.028 72 Y CB 1.252 39.683 38.460 -0.049 0.000 1.321 72 Y HN 0.360 nan 8.280 nan 0.000 0.456 73 R N 3.799 124.254 120.500 -0.075 0.000 2.210 73 R HA 0.275 4.615 4.340 0.000 0.000 0.338 73 R C -2.192 174.072 176.300 -0.059 0.000 1.062 73 R CA -1.628 54.384 56.100 -0.146 0.000 0.902 73 R CB 0.816 31.066 30.300 -0.083 0.000 1.050 73 R HN 0.497 nan 8.270 nan 0.000 0.461 74 P HA -0.272 nan 4.420 nan 0.000 0.216 74 P C 1.013 178.336 177.300 0.038 0.000 1.150 74 P CA 1.244 64.338 63.100 -0.010 0.000 0.843 74 P CB 0.233 31.884 31.700 -0.081 0.000 0.787 75 E N 0.507 120.705 120.200 -0.004 0.000 2.208 75 E HA -0.193 4.157 4.350 0.000 0.000 0.193 75 E C 1.423 178.028 176.600 0.009 0.000 0.988 75 E CA 1.219 57.618 56.400 -0.001 0.000 0.828 75 E CB -0.924 28.769 29.700 -0.012 0.000 0.763 75 E HN 0.358 nan 8.360 nan 0.000 0.478 76 E N 0.310 120.522 120.200 0.019 0.000 2.482 76 E HA 0.015 4.365 4.350 0.000 0.000 0.196 76 E C 1.349 177.969 176.600 0.033 0.000 1.047 76 E CA 0.328 56.741 56.400 0.021 0.000 0.869 76 E CB 0.596 30.308 29.700 0.021 0.000 0.836 76 E HN 0.112 nan 8.360 nan 0.000 0.520 77 V N -0.536 119.414 119.914 0.061 0.000 3.539 77 V HA 0.003 4.123 4.120 0.000 0.000 0.262 77 V C 2.221 178.337 176.094 0.037 0.000 1.381 77 V CA 0.985 63.321 62.300 0.059 0.000 1.060 77 V CB 0.601 32.511 31.823 0.145 0.000 0.842 77 V HN 0.160 nan 8.190 nan 0.000 0.445 78 R N 0.985 121.509 120.500 0.039 0.000 2.127 78 R HA -0.186 4.154 4.340 0.000 0.000 0.238 78 R C 1.840 178.139 176.300 -0.000 0.000 1.134 78 R CA 2.156 58.267 56.100 0.019 0.000 0.975 78 R CB -1.458 28.847 30.300 0.008 0.000 0.865 78 R HN 0.647 nan 8.270 nan 0.000 0.447 79 N N 0.389 119.086 118.700 -0.005 0.000 2.171 79 N HA -0.068 4.672 4.740 0.000 0.000 0.184 79 N C 0.967 176.468 175.510 -0.015 0.000 1.021 79 N CA 1.506 54.548 53.050 -0.013 0.000 0.854 79 N CB -0.194 38.285 38.487 -0.015 0.000 0.994 79 N HN 0.651 nan 8.380 nan 0.000 0.426 80 K N 0.999 121.389 120.400 -0.016 0.000 2.118 80 K HA 0.367 4.687 4.320 0.000 0.000 0.240 80 K C 0.004 176.586 176.600 -0.030 0.000 1.035 80 K CA -0.166 56.106 56.287 -0.025 0.000 0.899 80 K CB 0.384 32.864 32.500 -0.033 0.000 1.085 80 K HN 0.346 nan 8.250 nan 0.000 0.498 81 R N -0.163 120.315 120.500 -0.037 0.000 2.626 81 R HA 0.370 4.710 4.340 0.000 0.000 0.274 81 R C -0.765 175.506 176.300 -0.048 0.000 1.031 81 R CA -0.267 55.811 56.100 -0.037 0.000 0.898 81 R CB 1.976 32.261 30.300 -0.025 0.000 1.222 81 R HN 0.912 nan 8.270 nan 0.000 0.455 82 S N 1.593 117.262 115.700 -0.052 0.000 2.545 82 S HA 0.292 4.762 4.470 0.000 0.000 0.275 82 S C 0.120 174.694 174.600 -0.045 0.000 1.299 82 S CA -0.652 57.511 58.200 -0.061 0.000 1.048 82 S CB 1.390 64.551 63.200 -0.066 0.000 0.938 82 S HN 0.596 nan 8.310 nan 0.000 0.496 83 S N 2.552 118.222 115.700 -0.051 0.000 2.632 83 S HA 0.683 5.154 4.470 0.000 0.000 0.271 83 S C 0.288 174.869 174.600 -0.031 0.000 1.260 83 S CA -0.628 57.550 58.200 -0.038 0.000 1.010 83 S CB 0.677 63.853 63.200 -0.041 0.000 0.965 83 S HN 1.380 nan 8.310 nan 0.000 0.534 84 A N 1.986 124.795 122.820 -0.018 0.000 2.450 84 A HA 0.561 4.881 4.320 0.000 0.000 0.255 84 A C 0.277 177.857 177.584 -0.007 0.000 1.096 84 A CA -0.744 51.290 52.037 -0.005 0.000 0.778 84 A CB -0.789 18.212 19.000 0.002 0.000 1.031 84 A HN 1.151 nan 8.150 nan 0.000 0.494 85 I N -1.430 119.144 120.570 0.007 0.000 2.498 85 I HA 0.876 5.046 4.170 0.000 0.000 0.290 85 I C -0.297 175.851 176.117 0.052 0.000 1.032 85 I CA -0.851 60.454 61.300 0.009 0.000 1.073 85 I CB 2.047 40.028 38.000 -0.032 0.000 1.251 85 I HN 0.619 nan 8.210 nan 0.000 0.426 86 K N 3.712 124.145 120.400 0.055 0.000 2.581 86 K HA 0.898 5.219 4.320 0.000 0.000 0.249 86 K C -0.502 176.148 176.600 0.084 0.000 0.966 86 K CA -0.184 56.151 56.287 0.079 0.000 0.811 86 K CB 1.247 33.780 32.500 0.054 0.000 1.223 86 K HN 1.814 nan 8.250 nan 0.000 0.438 87 G N 0.493 109.367 108.800 0.123 0.000 2.368 87 G HA2 0.287 4.247 3.960 0.000 0.000 0.302 87 G HA3 0.287 4.247 3.960 0.000 0.000 0.302 87 G C -1.503 173.497 174.900 0.168 0.000 1.329 87 G CA -0.520 44.647 45.100 0.111 0.000 0.935 87 G HN 0.703 nan 8.290 nan 0.000 0.590 88 K N 0.603 121.076 120.400 0.122 0.000 2.257 88 K HA 0.643 4.963 4.320 0.000 0.000 0.270 88 K C -0.437 176.257 176.600 0.156 0.000 1.098 88 K CA -0.387 55.976 56.287 0.126 0.000 0.943 88 K CB -0.119 32.415 32.500 0.057 0.000 1.316 88 K HN 0.411 nan 8.250 nan 0.000 0.447 89 L N 2.220 123.609 121.223 0.277 0.000 2.333 89 L HA 0.413 4.753 4.340 0.000 0.000 0.263 89 L C 0.263 177.289 176.870 0.260 0.000 1.014 89 L CA -0.978 53.990 54.840 0.213 0.000 0.820 89 L CB 1.816 43.950 42.059 0.125 0.000 1.352 89 L HN 0.580 nan 8.230 nan 0.000 0.421 90 E N 1.075 121.367 120.200 0.152 0.000 2.360 90 E HA 0.181 4.531 4.350 0.000 0.000 0.269 90 E C -2.246 174.450 176.600 0.161 0.000 1.022 90 E CA -1.495 54.991 56.400 0.144 0.000 0.887 90 E CB -0.124 29.628 29.700 0.086 0.000 0.990 90 E HN 0.466 nan 8.360 nan 0.000 0.426 91 P HA -0.254 nan 4.420 nan 0.000 0.216 91 P C 1.681 179.096 177.300 0.191 0.000 1.157 91 P CA 2.410 65.662 63.100 0.253 0.000 0.880 91 P CB 0.048 31.883 31.700 0.226 0.000 0.791 92 N N -0.910 117.862 118.700 0.120 0.000 2.120 92 N HA -0.231 4.509 4.740 0.000 0.000 0.188 92 N C 2.124 177.648 175.510 0.023 0.000 1.024 92 N CA 2.284 55.375 53.050 0.068 0.000 0.852 92 N CB -1.801 36.719 38.487 0.055 0.000 1.003 92 N HN 0.354 nan 8.380 nan 0.000 0.424 93 Q N -0.419 119.394 119.800 0.022 0.000 2.083 93 Q HA 0.445 4.785 4.340 0.000 0.000 0.198 93 Q C 2.752 178.721 176.000 -0.052 0.000 0.969 93 Q CA 1.855 57.653 55.803 -0.008 0.000 0.838 93 Q CB -1.040 27.703 28.738 0.008 0.000 0.900 93 Q HN 1.031 nan 8.270 nan 0.000 0.436 94 A N 0.182 122.956 122.820 -0.077 0.000 1.930 94 A HA 0.010 4.330 4.320 0.000 0.000 0.217 94 A C 2.253 179.712 177.584 -0.208 0.000 1.175 94 A CA 1.504 53.417 52.037 -0.207 0.000 0.627 94 A CB -0.201 18.469 19.000 -0.550 0.000 0.815 94 A HN 0.546 nan 8.150 nan 0.000 0.443 95 I N 0.416 120.877 120.570 -0.182 0.000 2.439 95 I HA -0.128 4.042 4.170 0.000 0.000 0.251 95 I C 2.152 178.109 176.117 -0.266 0.000 1.139 95 I CA 1.995 63.054 61.300 -0.401 0.000 1.438 95 I CB -1.210 36.542 38.000 -0.413 0.000 1.085 95 I HN 0.333 nan 8.210 nan 0.000 0.427 96 T N 0.191 114.651 114.554 -0.156 0.000 2.777 96 T HA -0.136 4.214 4.350 0.000 0.000 0.266 96 T C 1.717 176.351 174.700 -0.110 0.000 1.040 96 T CA 1.096 63.128 62.100 -0.113 0.000 1.141 96 T CB -0.164 68.663 68.868 -0.069 0.000 0.868 96 T HN 0.392 nan 8.240 nan 0.000 0.444 97 E N 0.640 120.775 120.200 -0.110 0.000 2.106 97 E HA -0.067 4.283 4.350 0.000 0.000 0.192 97 E C 2.123 178.658 176.600 -0.108 0.000 0.984 97 E CA 0.677 57.021 56.400 -0.093 0.000 0.806 97 E CB -0.244 29.406 29.700 -0.083 0.000 0.750 97 E HN 0.243 nan 8.360 nan 0.000 0.458 98 L N 0.607 121.736 121.223 -0.155 0.000 2.046 98 L HA -0.131 4.209 4.340 0.000 0.000 0.208 98 L C 1.674 178.454 176.870 -0.150 0.000 1.077 98 L CA 1.620 56.361 54.840 -0.165 0.000 0.747 98 L CB -0.032 41.872 42.059 -0.259 0.000 0.896 98 L HN 0.070 nan 8.230 nan 0.000 0.432 99 L N 0.370 121.496 121.223 -0.162 0.000 2.688 99 L HA 0.182 4.522 4.340 0.000 0.000 0.234 99 L C 1.087 177.902 176.870 -0.092 0.000 1.192 99 L CA -0.326 54.435 54.840 -0.132 0.000 0.984 99 L CB -0.777 41.193 42.059 -0.147 0.000 1.232 99 L HN 0.201 nan 8.230 nan 0.000 0.465 100 R N 0.302 120.755 120.500 -0.080 0.000 2.537 100 R HA 0.422 4.762 4.340 0.000 0.000 0.280 100 R C 1.314 177.585 176.300 -0.048 0.000 1.058 100 R CA 0.319 56.384 56.100 -0.058 0.000 1.057 100 R CB -0.553 29.717 30.300 -0.050 0.000 0.973 100 R HN 0.453 nan 8.270 nan 0.000 0.438 101 G N 0.501 109.278 108.800 -0.038 0.000 2.153 101 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 101 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 101 G C 0.856 175.737 174.900 -0.032 0.000 0.994 101 G CA 1.711 46.792 45.100 -0.031 0.000 0.698 101 G HN 1.943 nan 8.290 nan 0.000 0.521 102 T N -3.912 110.619 114.554 -0.038 0.000 2.954 102 T HA 0.461 4.811 4.350 0.000 0.000 0.252 102 T C 2.203 176.884 174.700 -0.032 0.000 0.983 102 T CA 1.418 63.496 62.100 -0.037 0.000 0.941 102 T CB 0.528 69.366 68.868 -0.049 0.000 1.141 102 T HN 2.086 nan 8.240 nan 0.000 0.500 103 G N 1.860 110.641 108.800 -0.032 0.000 2.246 103 G HA2 0.045 4.005 3.960 0.000 0.000 0.273 103 G HA3 0.045 4.005 3.960 0.000 0.000 0.273 103 G C 0.157 175.040 174.900 -0.028 0.000 1.055 103 G CA -0.027 45.057 45.100 -0.027 0.000 0.851 103 G HN 1.255 nan 8.290 nan 0.000 0.500 104 A N -0.005 122.792 122.820 -0.039 0.000 2.290 104 A HA 0.811 5.131 4.320 0.000 0.000 0.310 104 A C 0.712 178.272 177.584 -0.040 0.000 1.202 104 A CA 0.365 52.378 52.037 -0.039 0.000 0.837 104 A CB 0.882 19.850 19.000 -0.053 0.000 1.139 104 A HN 0.933 nan 8.150 nan 0.000 0.509 105 S N 0.637 116.321 115.700 -0.027 0.000 2.565 105 S HA 0.448 4.919 4.470 0.000 0.000 0.276 105 S C -0.026 174.560 174.600 -0.024 0.000 1.326 105 S CA -0.362 57.826 58.200 -0.021 0.000 1.045 105 S CB 0.904 64.099 63.200 -0.008 0.000 0.918 105 S HN 0.594 nan 8.310 nan 0.000 0.505 106 V N 2.732 122.632 119.914 -0.022 0.000 2.487 106 V HA 0.437 4.557 4.120 0.000 0.000 0.298 106 V C -0.696 175.402 176.094 0.007 0.000 1.028 106 V CA -0.806 61.483 62.300 -0.019 0.000 0.860 106 V CB 1.932 33.730 31.823 -0.043 0.000 0.991 106 V HN 0.749 nan 8.190 nan 0.000 0.427 107 D N 3.088 123.503 120.400 0.024 0.000 2.481 107 D HA 0.617 5.257 4.640 0.000 0.000 0.246 107 D C -0.435 175.899 176.300 0.056 0.000 1.109 107 D CA 0.089 54.115 54.000 0.044 0.000 0.845 107 D CB 1.311 42.145 40.800 0.057 0.000 1.160 107 D HN 0.537 nan 8.370 nan 0.000 0.534 108 F N 1.238 121.222 119.950 0.056 0.000 2.411 108 F HA 0.706 5.233 4.527 0.000 0.000 0.355 108 F C 0.499 176.342 175.800 0.072 0.000 1.117 108 F CA -0.426 57.613 58.000 0.065 0.000 1.139 108 F CB 0.471 39.508 39.000 0.061 0.000 1.120 108 F HN 0.554 nan 8.300 nan 0.000 0.493 109 Q N 3.310 123.157 119.800 0.079 0.000 2.275 109 Q HA 0.746 5.086 4.340 0.000 0.000 0.258 109 Q C 0.488 176.535 176.000 0.079 0.000 0.960 109 Q CA -0.260 55.591 55.803 0.081 0.000 0.801 109 Q CB 0.789 29.584 28.738 0.094 0.000 1.302 109 Q HN 3.039 nan 8.270 nan 0.000 0.433 110 G N 0.931 109.773 108.800 0.069 0.000 2.527 110 G HA2 0.040 4.000 3.960 0.000 0.000 0.268 110 G HA3 0.040 4.000 3.960 0.000 0.000 0.268 110 G C 0.737 175.675 174.900 0.064 0.000 1.175 110 G CA 0.879 46.017 45.100 0.064 0.000 0.962 110 G HN 2.198 nan 8.290 nan 0.000 0.560 111 N N 0.591 119.329 118.700 0.063 0.000 2.321 111 N HA 0.815 5.556 4.740 0.000 0.000 0.242 111 N C 0.323 175.877 175.510 0.074 0.000 1.141 111 N CA 1.376 54.463 53.050 0.062 0.000 0.864 111 N CB 0.560 39.077 38.487 0.049 0.000 1.100 111 N HN 2.136 nan 8.380 nan 0.000 0.510 112 A N 0.263 123.133 122.820 0.084 0.000 2.515 112 A HA 0.875 5.195 4.320 0.000 0.000 0.296 112 A C -0.868 176.777 177.584 0.100 0.000 1.094 112 A CA -0.611 51.483 52.037 0.096 0.000 0.718 112 A CB 1.013 20.067 19.000 0.090 0.000 1.307 112 A HN 0.743 nan 8.150 nan 0.000 0.408 113 I N -0.960 119.675 120.570 0.109 0.000 2.647 113 I HA 0.796 4.966 4.170 0.000 0.000 0.295 113 I C -0.184 175.980 176.117 0.080 0.000 1.078 113 I CA -0.652 60.703 61.300 0.092 0.000 1.048 113 I CB 2.399 40.455 38.000 0.094 0.000 1.239 113 I HN 0.594 nan 8.210 nan 0.000 0.421 114 T N 2.882 117.474 114.554 0.063 0.000 2.855 114 T HA 0.782 5.132 4.350 0.000 0.000 0.281 114 T C -0.514 174.205 174.700 0.032 0.000 1.007 114 T CA -0.599 61.533 62.100 0.054 0.000 1.009 114 T CB 1.878 70.776 68.868 0.051 0.000 0.983 114 T HN 0.527 nan 8.240 nan 0.000 0.455 115 I N 2.008 122.600 120.570 0.036 0.000 2.436 115 I HA 0.515 4.685 4.170 0.000 0.000 0.289 115 I C -0.008 176.121 176.117 0.019 0.000 1.010 115 I CA -0.616 60.692 61.300 0.013 0.000 1.098 115 I CB 2.121 40.118 38.000 -0.004 0.000 1.266 115 I HN 0.688 nan 8.210 nan 0.000 0.434 116 S N 4.941 120.642 115.700 0.001 0.000 2.502 116 S HA 0.586 5.056 4.470 0.000 0.000 0.304 116 S C -0.575 174.020 174.600 -0.007 0.000 1.097 116 S CA -0.502 57.697 58.200 -0.002 0.000 1.045 116 S CB 1.476 64.673 63.200 -0.006 0.000 1.019 116 S HN 0.317 nan 8.310 nan 0.000 0.481 117 V N 4.310 124.222 119.914 -0.004 0.000 2.180 117 V HA 0.734 4.854 4.120 0.000 0.000 0.265 117 V C 0.404 176.494 176.094 -0.006 0.000 1.214 117 V CA 0.096 62.391 62.300 -0.008 0.000 1.130 117 V CB -0.515 31.304 31.823 -0.007 0.000 1.266 117 V HN 0.924 nan 8.190 nan 0.000 0.473 140 I N 3.710 124.306 120.570 0.042 0.000 2.556 140 I HA 0.166 4.336 4.170 0.000 0.000 0.284 140 I C 1.944 178.083 176.117 0.037 0.000 1.114 140 I CA 0.406 61.733 61.300 0.045 0.000 1.418 140 I CB 1.403 39.436 38.000 0.055 0.000 1.394 140 I HN 0.507 nan 8.210 nan 0.000 0.552 141 T N 0.759 115.336 114.554 0.038 0.000 3.051 141 T HA 0.026 4.376 4.350 0.000 0.000 0.255 141 T C 0.774 175.495 174.700 0.035 0.000 1.085 141 T CA -0.245 61.877 62.100 0.038 0.000 1.109 141 T CB -0.060 68.834 68.868 0.043 0.000 0.921 141 T HN 0.603 nan 8.240 nan 0.000 0.488 142 E N 1.938 122.157 120.200 0.032 0.000 2.558 142 E HA -0.040 4.310 4.350 0.000 0.000 0.255 142 E C -0.594 176.008 176.600 0.003 0.000 0.968 142 E CA 0.240 56.651 56.400 0.018 0.000 0.939 142 E CB -0.058 29.654 29.700 0.022 0.000 0.921 142 E HN 0.246 nan 8.360 nan 0.000 0.477 143 D N 2.926 123.320 120.400 -0.011 0.000 2.746 143 D HA -0.150 4.490 4.640 0.000 0.000 0.236 143 D C -0.086 176.204 176.300 -0.016 0.000 1.129 143 D CA 1.261 55.246 54.000 -0.025 0.000 0.691 143 D CB -1.372 39.405 40.800 -0.038 0.000 1.077 143 D HN 0.311 nan 8.370 nan 0.000 0.432 144 S N -1.505 114.193 115.700 -0.003 0.000 2.497 144 S HA 0.371 4.841 4.470 0.000 0.000 0.221 144 S C 1.894 176.482 174.600 -0.019 0.000 1.037 144 S CA 0.397 58.595 58.200 -0.004 0.000 0.920 144 S CB 1.133 64.341 63.200 0.013 0.000 0.800 144 S HN 0.749 nan 8.310 nan 0.000 0.505 145 G N 1.780 110.569 108.800 -0.018 0.000 2.184 145 G HA2 -0.261 3.699 3.960 0.000 0.000 0.264 145 G HA3 -0.261 3.699 3.960 0.000 0.000 0.264 145 G C 0.194 175.037 174.900 -0.096 0.000 0.975 145 G CA 0.591 45.659 45.100 -0.054 0.000 0.642 145 G HN 0.634 nan 8.290 nan 0.000 0.536 146 S N -1.035 114.648 115.700 -0.028 0.000 2.549 146 S HA 0.696 5.166 4.470 0.000 0.000 0.297 146 S C 0.669 175.361 174.600 0.153 0.000 1.115 146 S CA -0.637 57.545 58.200 -0.030 0.000 1.059 146 S CB 0.745 63.948 63.200 0.004 0.000 1.046 146 S HN 0.291 nan 8.310 nan 0.000 0.506 147 Y N 1.910 122.234 120.300 0.040 0.000 2.493 147 Y HA 0.334 4.884 4.550 0.000 0.000 0.275 147 Y C 1.250 177.167 175.900 0.029 0.000 1.183 147 Y CA -0.418 57.711 58.100 0.049 0.000 1.258 147 Y CB -0.379 38.130 38.460 0.081 0.000 1.108 147 Y HN 0.486 nan 8.280 nan 0.000 0.521 148 T N 2.827 117.470 114.554 0.148 0.000 2.863 148 T HA 0.462 4.812 4.350 0.000 0.000 0.285 148 T C -2.637 172.097 174.700 0.056 0.000 1.009 148 T CA -2.050 60.102 62.100 0.085 0.000 0.989 148 T CB 1.569 70.473 68.868 0.060 0.000 1.004 148 T HN -0.153 nan 8.240 nan 0.000 0.455 149 P HA 0.319 nan 4.420 nan 0.000 0.276 149 P C 0.560 177.869 177.300 0.015 0.000 1.252 149 P CA -0.278 62.834 63.100 0.020 0.000 0.802 149 P CB 0.863 32.565 31.700 0.003 0.000 1.035 150 G N 0.568 109.375 108.800 0.012 0.000 2.615 150 G HA2 0.149 4.109 3.960 0.000 0.000 0.213 150 G HA3 0.149 4.109 3.960 0.000 0.000 0.213 150 G C -0.043 174.858 174.900 0.003 0.000 1.215 150 G CA 0.569 45.675 45.100 0.009 0.000 0.843 150 G HN 0.725 nan 8.290 nan 0.000 0.571 151 T N -1.264 113.292 114.554 0.002 0.000 2.909 151 T HA 0.712 5.062 4.350 0.000 0.000 0.299 151 T C -0.998 173.696 174.700 -0.011 0.000 1.073 151 T CA -0.618 61.480 62.100 -0.003 0.000 0.999 151 T CB 2.379 71.250 68.868 0.004 0.000 1.098 151 T HN 0.101 nan 8.240 nan 0.000 0.477 152 I N 1.568 122.124 120.570 -0.023 0.000 2.466 152 I HA 0.625 4.795 4.170 0.000 0.000 0.289 152 I C 0.403 176.492 176.117 -0.047 0.000 1.026 152 I CA -1.258 60.018 61.300 -0.040 0.000 1.078 152 I CB 2.100 40.064 38.000 -0.059 0.000 1.249 152 I HN 0.936 nan 8.210 nan 0.000 0.429 153 A N 3.246 126.034 122.820 -0.053 0.000 2.631 153 A HA 0.273 4.593 4.320 0.000 0.000 0.294 153 A C 1.119 178.635 177.584 -0.114 0.000 1.156 153 A CA -0.162 51.833 52.037 -0.071 0.000 0.963 153 A CB -0.310 18.666 19.000 -0.041 0.000 1.202 153 A HN 0.707 nan 8.150 nan 0.000 0.523 154 T N -0.354 114.127 114.554 -0.122 0.000 2.978 154 T HA 0.090 4.440 4.350 0.000 0.000 0.262 154 T C 2.247 176.827 174.700 -0.199 0.000 1.063 154 T CA 1.314 63.323 62.100 -0.151 0.000 1.140 154 T CB 0.000 68.783 68.868 -0.142 0.000 0.886 154 T HN 0.541 nan 8.240 nan 0.000 0.470 155 A N 1.988 124.685 122.820 -0.204 0.000 1.840 155 A HA -0.033 4.287 4.320 0.000 0.000 0.214 155 A C 2.458 179.825 177.584 -0.362 0.000 1.198 155 A CA 1.998 53.875 52.037 -0.268 0.000 0.608 155 A CB -0.754 18.100 19.000 -0.244 0.000 0.839 155 A HN 0.567 nan 8.150 nan 0.000 0.443 156 T N -7.403 106.970 114.554 -0.301 0.000 2.986 156 T HA 0.421 4.771 4.350 0.000 0.000 0.264 156 T C 0.837 175.406 174.700 -0.219 0.000 0.964 156 T CA 0.678 62.600 62.100 -0.297 0.000 0.895 156 T CB 0.662 69.408 68.868 -0.205 0.000 1.163 156 T HN 0.358 nan 8.240 nan 0.000 0.517 157 R N -0.789 119.581 120.500 -0.217 0.000 3.205 157 R HA -0.062 4.278 4.340 0.000 0.000 0.425 157 R C -0.504 175.724 176.300 -0.120 0.000 0.465 157 R CA 0.845 56.798 56.100 -0.245 0.000 1.455 157 R CB -2.243 27.805 30.300 -0.421 0.000 1.999 157 R HN 0.524 nan 8.270 nan 0.000 0.317 158 L N 1.763 122.947 121.223 -0.065 0.000 2.410 158 L HA 0.194 4.534 4.340 0.000 0.000 0.273 158 L C 0.312 177.177 176.870 -0.008 0.000 1.144 158 L CA -0.316 54.516 54.840 -0.013 0.000 0.863 158 L CB 0.955 43.032 42.059 0.029 0.000 1.140 158 L HN -0.133 nan 8.230 nan 0.000 0.463 159 V N 6.471 126.384 119.914 -0.000 0.000 2.364 159 V HA 0.160 4.281 4.120 0.000 0.000 0.252 159 V C 0.410 176.507 176.094 0.004 0.000 1.075 159 V CA 0.189 62.490 62.300 0.002 0.000 1.033 159 V CB -0.251 31.580 31.823 0.013 0.000 1.116 159 V HN 0.487 nan 8.190 nan 0.000 0.488 160 L N 3.841 125.066 121.223 0.003 0.000 2.301 160 L HA 0.663 5.003 4.340 0.000 0.000 0.264 160 L C 0.679 177.547 176.870 -0.004 0.000 1.016 160 L CA -0.743 54.104 54.840 0.012 0.000 0.821 160 L CB 2.465 44.549 42.059 0.042 0.000 1.346 160 L HN 0.596 nan 8.230 nan 0.000 0.429 161 T N -2.938 111.615 114.554 -0.002 0.000 2.882 161 T HA 0.243 4.593 4.350 0.000 0.000 0.287 161 T C -2.023 172.661 174.700 -0.026 0.000 1.014 161 T CA -1.562 60.530 62.100 -0.013 0.000 1.049 161 T CB 1.261 70.122 68.868 -0.013 0.000 1.001 161 T HN 0.313 nan 8.240 nan 0.000 0.525 162 P HA -0.157 nan 4.420 nan 0.000 0.216 162 P C 1.616 178.876 177.300 -0.068 0.000 1.157 162 P CA 1.153 64.222 63.100 -0.051 0.000 0.880 162 P CB 0.015 31.697 31.700 -0.030 0.000 0.791 163 R N 0.231 120.705 120.500 -0.043 0.000 2.152 163 R HA -0.136 4.204 4.340 0.000 0.000 0.232 163 R C 1.824 178.109 176.300 -0.025 0.000 1.117 163 R CA 1.379 57.458 56.100 -0.035 0.000 0.981 163 R CB -0.262 30.018 30.300 -0.033 0.000 0.870 163 R HN 0.235 nan 8.270 nan 0.000 0.451 164 E N -0.500 119.694 120.200 -0.009 0.000 2.285 164 E HA -0.017 4.333 4.350 0.000 0.000 0.194 164 E C -0.250 176.377 176.600 0.045 0.000 0.997 164 E CA 0.677 57.106 56.400 0.049 0.000 0.845 164 E CB 0.415 30.155 29.700 0.067 0.000 0.782 164 E HN 0.191 nan 8.360 nan 0.000 0.491 165 T N 3.114 117.620 114.554 -0.079 0.000 2.743 165 T HA 0.152 4.502 4.350 0.000 0.000 0.293 165 T C -2.257 172.210 174.700 -0.388 0.000 0.945 165 T CA -1.459 60.526 62.100 -0.192 0.000 1.030 165 T CB 1.347 70.112 68.868 -0.173 0.000 0.912 165 T HN -0.035 nan 8.240 nan 0.000 0.483 166 P HA 0.259 nan 4.420 nan 0.000 0.214 166 P C -0.477 176.585 177.300 -0.398 0.000 1.807 166 P CA -0.156 62.627 63.100 -0.528 0.000 0.921 166 P CB 0.150 31.724 31.700 -0.209 0.000 1.835 167 Q N -0.881 118.644 119.800 -0.459 0.000 2.534 167 Q HA 0.387 4.728 4.340 0.000 0.000 0.290 167 Q C -0.704 175.212 176.000 -0.140 0.000 0.991 167 Q CA -0.766 54.936 55.803 -0.168 0.000 0.783 167 Q CB 1.967 30.632 28.738 -0.122 0.000 1.470 167 Q HN -0.122 nan 8.270 nan 0.000 0.406 168 S N 1.104 116.783 115.700 -0.034 0.000 2.505 168 S HA 0.498 4.968 4.470 0.000 0.000 0.276 168 S C -0.789 173.756 174.600 -0.091 0.000 1.274 168 S CA -0.055 58.123 58.200 -0.037 0.000 1.053 168 S CB -0.037 63.131 63.200 -0.053 0.000 0.919 168 S HN 0.384 nan 8.310 nan 0.000 0.490 169 I N 3.423 123.943 120.570 -0.082 0.000 2.644 169 I HA 0.356 4.526 4.170 0.000 0.000 0.291 169 I C -1.167 174.906 176.117 -0.072 0.000 1.180 169 I CA 0.022 61.264 61.300 -0.096 0.000 1.040 169 I CB 2.103 40.037 38.000 -0.111 0.000 1.255 169 I HN 0.484 nan 8.210 nan 0.000 0.422 170 T N 6.147 120.651 114.554 -0.083 0.000 2.879 170 T HA 0.566 4.916 4.350 0.000 0.000 0.290 170 T C -1.016 173.638 174.700 -0.077 0.000 0.993 170 T CA -0.488 61.573 62.100 -0.065 0.000 0.975 170 T CB 1.831 70.659 68.868 -0.066 0.000 0.981 170 T HN 0.210 nan 8.240 nan 0.000 0.439 171 V N 3.543 123.425 119.914 -0.053 0.000 2.448 171 V HA 0.465 4.585 4.120 0.000 0.000 0.295 171 V C -0.223 175.842 176.094 -0.048 0.000 1.025 171 V CA -0.809 61.458 62.300 -0.056 0.000 0.859 171 V CB 1.956 33.757 31.823 -0.037 0.000 0.988 171 V HN 0.735 nan 8.190 nan 0.000 0.431 172 V N 4.535 124.405 119.914 -0.074 0.000 2.350 172 V HA 0.408 4.528 4.120 0.000 0.000 0.276 172 V C 0.664 176.727 176.094 -0.051 0.000 1.028 172 V CA -0.310 61.940 62.300 -0.083 0.000 0.860 172 V CB 1.650 33.399 31.823 -0.125 0.000 0.990 172 V HN 1.042 nan 8.190 nan 0.000 0.453 173 T N 2.170 116.714 114.554 -0.016 0.000 2.918 173 T HA 0.361 4.711 4.350 0.000 0.000 0.283 173 T C 1.080 175.801 174.700 0.034 0.000 1.001 173 T CA -0.546 61.574 62.100 0.033 0.000 1.041 173 T CB 1.464 70.393 68.868 0.102 0.000 1.028 173 T HN 0.472 nan 8.240 nan 0.000 0.511 174 R N 0.851 121.378 120.500 0.044 0.000 2.133 174 R HA -0.179 4.161 4.340 0.000 0.000 0.247 174 R C 2.369 178.701 176.300 0.053 0.000 1.151 174 R CA 2.138 58.263 56.100 0.042 0.000 0.971 174 R CB -1.011 29.313 30.300 0.039 0.000 0.866 174 R HN 0.793 nan 8.270 nan 0.000 0.447 175 Q N 0.062 119.922 119.800 0.100 0.000 2.046 175 Q HA -0.110 4.231 4.340 0.000 0.000 0.200 175 Q C 1.736 177.862 176.000 0.209 0.000 0.975 175 Q CA 2.314 58.214 55.803 0.161 0.000 0.836 175 Q CB -0.458 28.414 28.738 0.225 0.000 0.896 175 Q HN 0.618 nan 8.270 nan 0.000 0.428 176 N N -1.541 117.243 118.700 0.140 0.000 2.104 176 N HA -0.184 4.556 4.740 0.000 0.000 0.190 176 N C 1.686 177.206 175.510 0.017 0.000 1.024 176 N CA 1.326 54.301 53.050 -0.125 0.000 0.853 176 N CB -0.034 38.233 38.487 -0.366 0.000 1.008 176 N HN 0.259 nan 8.380 nan 0.000 0.424 177 M N 0.218 119.814 119.600 -0.005 0.000 2.132 177 M HA -0.118 4.362 4.480 0.000 0.000 0.263 177 M C 1.342 177.647 176.300 0.009 0.000 1.065 177 M CA 1.245 56.537 55.300 -0.013 0.000 1.122 177 M CB 0.001 32.593 32.600 -0.013 0.000 1.365 177 M HN 0.114 nan 8.290 nan 0.000 0.411 178 D N 0.404 120.812 120.400 0.014 0.000 2.097 178 D HA -0.158 4.482 4.640 0.000 0.000 0.195 178 D C 1.593 177.875 176.300 -0.030 0.000 0.989 178 D CA 1.289 55.284 54.000 -0.007 0.000 0.827 178 D CB -0.505 40.280 40.800 -0.024 0.000 0.966 178 D HN 0.273 nan 8.370 nan 0.000 0.456 179 D N -0.478 119.900 120.400 -0.035 0.000 2.123 179 D HA -0.119 4.521 4.640 0.000 0.000 0.196 179 D C 1.289 177.363 176.300 -0.377 0.000 0.992 179 D CA 0.760 54.644 54.000 -0.194 0.000 0.833 179 D CB -0.220 40.468 40.800 -0.187 0.000 0.954 179 D HN 0.257 nan 8.370 nan 0.000 0.455 180 F N -0.774 119.137 119.950 -0.064 0.000 2.639 180 F HA 0.317 4.844 4.527 0.000 0.000 0.302 180 F C 1.585 177.304 175.800 -0.136 0.000 1.097 180 F CA -0.036 57.901 58.000 -0.106 0.000 1.294 180 F CB 0.484 39.367 39.000 -0.196 0.000 1.027 180 F HN -0.071 nan 8.300 nan 0.000 0.550 181 G N 1.641 110.449 108.800 0.012 0.000 2.305 181 G HA2 -0.316 3.644 3.960 0.000 0.000 0.287 181 G HA3 -0.316 3.644 3.960 0.000 0.000 0.287 181 G C 0.103 174.989 174.900 -0.022 0.000 1.036 181 G CA -0.163 44.934 45.100 -0.004 0.000 0.887 181 G HN 0.348 nan 8.290 nan 0.000 0.505 182 L N -0.483 120.708 121.223 -0.055 0.000 2.407 182 L HA 0.285 4.626 4.340 0.000 0.000 0.282 182 L C 1.294 178.144 176.870 -0.033 0.000 1.110 182 L CA -0.187 54.597 54.840 -0.093 0.000 0.863 182 L CB 0.312 42.264 42.059 -0.178 0.000 1.207 182 L HN 0.205 nan 8.230 nan 0.000 0.454 183 N N 1.393 120.088 118.700 -0.008 0.000 2.432 183 N HA -0.024 4.716 4.740 0.000 0.000 0.174 183 N C 0.066 175.598 175.510 0.036 0.000 1.037 183 N CA 0.058 53.123 53.050 0.025 0.000 0.892 183 N CB 0.325 38.832 38.487 0.033 0.000 1.049 183 N HN 0.673 nan 8.380 nan 0.000 0.442 184 N N -0.235 118.481 118.700 0.027 0.000 2.545 184 N HA 0.144 4.884 4.740 0.000 0.000 0.289 184 N C 0.388 175.903 175.510 0.008 0.000 1.279 184 N CA -0.731 52.342 53.050 0.038 0.000 0.824 184 N CB 0.709 39.228 38.487 0.054 0.000 1.395 184 N HN -0.176 nan 8.380 nan 0.000 0.526 185 I N 0.184 120.762 120.570 0.014 0.000 2.335 185 I HA -0.215 3.955 4.170 0.000 0.000 0.251 185 I C 0.813 176.894 176.117 -0.059 0.000 1.129 185 I CA 1.621 62.898 61.300 -0.039 0.000 1.402 185 I CB -0.415 37.587 38.000 0.003 0.000 1.069 185 I HN 0.490 nan 8.210 nan 0.000 0.424 186 D N 0.833 121.260 120.400 0.045 0.000 2.092 186 D HA -0.190 4.450 4.640 0.000 0.000 0.193 186 D C 1.840 178.152 176.300 0.020 0.000 0.994 186 D CA 1.611 55.664 54.000 0.088 0.000 0.828 186 D CB -0.436 40.451 40.800 0.145 0.000 0.963 186 D HN 0.387 nan 8.370 nan 0.000 0.450 187 D N 0.062 120.463 120.400 0.002 0.000 2.149 187 D HA -0.109 4.531 4.640 0.000 0.000 0.198 187 D C 2.272 178.493 176.300 -0.131 0.000 0.990 187 D CA 0.470 54.440 54.000 -0.050 0.000 0.839 187 D CB -0.248 40.508 40.800 -0.074 0.000 0.948 187 D HN 0.105 nan 8.370 nan 0.000 0.460 188 V N 1.260 121.089 119.914 -0.141 0.000 2.295 188 V HA -0.236 3.884 4.120 0.000 0.000 0.246 188 V C 2.537 178.530 176.094 -0.168 0.000 1.049 188 V CA 1.202 63.396 62.300 -0.177 0.000 1.024 188 V CB -0.338 31.381 31.823 -0.174 0.000 0.648 188 V HN 0.188 nan 8.190 nan 0.000 0.447 189 M N -0.323 119.149 119.600 -0.213 0.000 2.117 189 M HA -0.133 4.347 4.480 0.000 0.000 0.262 189 M C 2.195 178.445 176.300 -0.084 0.000 1.065 189 M CA 1.604 56.757 55.300 -0.245 0.000 1.114 189 M CB -1.193 31.103 32.600 -0.506 0.000 1.361 189 M HN 0.276 nan 8.290 nan 0.000 0.408 190 R N -0.917 119.586 120.500 0.005 0.000 2.377 190 R HA -0.133 4.207 4.340 0.000 0.000 0.207 190 R C 0.515 176.913 176.300 0.164 0.000 1.075 190 R CA 0.727 56.894 56.100 0.112 0.000 1.035 190 R CB -0.250 30.155 30.300 0.176 0.000 0.857 190 R HN 0.478 nan 8.270 nan 0.000 0.475 191 H N -1.853 117.109 119.070 -0.181 0.000 2.916 191 H HA 0.177 4.733 4.556 0.000 0.000 0.262 191 H C -0.574 174.633 175.328 -0.202 0.000 1.178 191 H CA -0.123 55.699 56.048 -0.376 0.000 1.090 191 H CB 1.122 30.440 29.762 -0.740 0.000 1.657 191 H HN -0.127 nan 8.280 nan 0.000 0.601 192 T N 2.096 116.631 114.554 -0.033 0.000 2.733 192 T HA 0.112 4.462 4.350 0.000 0.000 0.294 192 T C -1.610 173.078 174.700 -0.019 0.000 0.956 192 T CA -1.447 60.624 62.100 -0.049 0.000 0.987 192 T CB 1.916 70.715 68.868 -0.114 0.000 0.920 192 T HN 0.032 nan 8.240 nan 0.000 0.470 193 P HA -0.167 nan 4.420 nan 0.000 0.218 193 P C 1.438 178.711 177.300 -0.046 0.000 1.165 193 P CA 1.148 64.251 63.100 0.006 0.000 0.922 193 P CB 0.036 31.748 31.700 0.020 0.000 0.794 194 G N -1.927 106.836 108.800 -0.061 0.000 3.383 194 G HA2 0.302 4.262 3.960 0.000 0.000 0.251 194 G HA3 0.302 4.262 3.960 0.000 0.000 0.251 194 G C 0.198 175.036 174.900 -0.102 0.000 1.203 194 G CA -0.089 44.957 45.100 -0.091 0.000 0.852 194 G HN 0.212 nan 8.290 nan 0.000 0.531 195 I N 0.670 121.187 120.570 -0.090 0.000 2.474 195 I HA 0.316 4.486 4.170 0.000 0.000 0.294 195 I C -0.536 175.546 176.117 -0.057 0.000 1.005 195 I CA -0.575 60.686 61.300 -0.064 0.000 1.113 195 I CB 2.544 40.499 38.000 -0.075 0.000 1.289 195 I HN -0.168 nan 8.210 nan 0.000 0.436 196 T N 5.179 119.726 114.554 -0.012 0.000 2.770 196 T HA 0.418 4.768 4.350 0.000 0.000 0.283 196 T C -0.304 174.476 174.700 0.134 0.000 0.988 196 T CA -0.500 61.580 62.100 -0.034 0.000 0.957 196 T CB 1.579 70.324 68.868 -0.205 0.000 0.930 196 T HN 0.155 nan 8.240 nan 0.000 0.443 197 V N 4.213 124.199 119.914 0.120 0.000 2.350 197 V HA 0.561 4.681 4.120 0.000 0.000 0.276 197 V C 0.437 176.635 176.094 0.173 0.000 1.028 197 V CA -0.648 61.773 62.300 0.201 0.000 0.860 197 V CB 0.884 32.833 31.823 0.210 0.000 0.990 197 V HN 1.063 nan 8.190 nan 0.000 0.453 198 S N 4.196 119.999 115.700 0.173 0.000 2.607 198 S HA 0.938 5.408 4.470 0.000 0.000 0.303 198 S C -0.293 174.246 174.600 -0.101 0.000 1.086 198 S CA -0.453 57.849 58.200 0.169 0.000 0.995 198 S CB 2.215 65.668 63.200 0.422 0.000 1.084 198 S HN 1.098 nan 8.310 nan 0.000 0.507 199 A N 0.651 123.392 122.820 -0.130 0.000 2.320 199 A HA 0.760 5.080 4.320 0.000 0.000 0.334 199 A C -0.566 176.707 177.584 -0.518 0.000 1.147 199 A CA -0.735 51.143 52.037 -0.264 0.000 0.820 199 A CB 0.327 19.277 19.000 -0.084 0.000 1.218 199 A HN 0.893 nan 8.150 nan 0.000 0.482 200 Y N 0.489 120.588 120.300 -0.335 0.000 2.382 200 Y HA 0.233 4.783 4.550 0.000 0.000 0.292 200 Y C 0.315 176.137 175.900 -0.131 0.000 1.151 200 Y CA 0.831 58.598 58.100 -0.554 0.000 1.198 200 Y CB 0.306 38.355 38.460 -0.685 0.000 1.195 200 Y HN 0.835 nan 8.280 nan 0.000 0.530 201 D N -4.233 116.207 120.400 0.066 0.000 2.710 201 D HA 0.144 4.784 4.640 0.000 0.000 0.276 201 D C 0.704 176.987 176.300 -0.029 0.000 1.267 201 D CA -0.021 54.024 54.000 0.076 0.000 0.772 201 D CB 0.717 41.649 40.800 0.221 0.000 1.299 201 D HN -0.015 nan 8.370 nan 0.000 0.421 202 T N -2.533 111.974 114.554 -0.078 0.000 2.668 202 T HA -0.302 4.049 4.350 0.000 0.000 0.265 202 T C 0.500 175.132 174.700 -0.114 0.000 1.041 202 T CA 1.825 63.799 62.100 -0.210 0.000 1.160 202 T CB -0.587 67.996 68.868 -0.475 0.000 0.857 202 T HN 0.577 nan 8.240 nan 0.000 0.455 203 D N 1.298 121.650 120.400 -0.080 0.000 2.755 203 D HA 0.361 5.001 4.640 0.000 0.000 0.257 203 D C 0.009 176.150 176.300 -0.264 0.000 1.291 203 D CA -0.186 53.756 54.000 -0.095 0.000 0.836 203 D CB 0.518 41.311 40.800 -0.011 0.000 1.059 203 D HN 0.438 nan 8.370 nan 0.000 0.486 204 R N 0.421 120.797 120.500 -0.206 0.000 2.560 204 R HA 0.301 4.641 4.340 0.000 0.000 0.267 204 R C -1.223 175.022 176.300 -0.091 0.000 1.150 204 R CA -0.504 55.467 56.100 -0.215 0.000 0.997 204 R CB 1.552 31.657 30.300 -0.325 0.000 1.250 204 R HN -0.043 nan 8.270 nan 0.000 0.433 205 N N 0.483 119.104 118.700 -0.131 0.000 2.629 205 N HA 0.438 5.178 4.740 0.000 0.000 0.279 205 N C -1.598 173.651 175.510 -0.435 0.000 1.344 205 N CA -0.948 51.946 53.050 -0.261 0.000 0.789 205 N CB 1.333 39.740 38.487 -0.132 0.000 1.508 205 N HN 0.372 nan 8.380 nan 0.000 0.516 206 N N -0.178 118.189 118.700 -0.554 0.000 2.295 206 N HA 0.360 5.100 4.740 0.000 0.000 0.293 206 N C -1.999 173.308 175.510 -0.337 0.000 1.040 206 N CA -0.497 52.222 53.050 -0.552 0.000 0.840 206 N CB 0.662 38.764 38.487 -0.641 0.000 1.468 206 N HN 0.365 nan 8.380 nan 0.000 0.478 207 Y N 2.578 122.808 120.300 -0.117 0.000 2.385 207 Y HA 0.367 4.918 4.550 0.000 0.000 0.341 207 Y C -0.550 175.266 175.900 -0.141 0.000 0.965 207 Y CA -0.815 57.239 58.100 -0.076 0.000 1.180 207 Y CB 0.060 38.481 38.460 -0.065 0.000 1.139 207 Y HN 0.372 nan 8.280 nan 0.000 0.502 208 Y N 1.691 122.018 120.300 0.045 0.000 2.299 208 Y HA 0.602 5.152 4.550 0.000 0.000 0.326 208 Y C 0.270 176.143 175.900 -0.044 0.000 1.164 208 Y CA -0.593 57.493 58.100 -0.023 0.000 1.234 208 Y CB 1.295 39.702 38.460 -0.087 0.000 1.219 208 Y HN 0.668 nan 8.280 nan 0.000 0.497 209 A N 3.161 126.042 122.820 0.102 0.000 2.429 209 A HA 0.609 4.929 4.320 0.000 0.000 0.289 209 A C -0.164 177.442 177.584 0.037 0.000 1.043 209 A CA -1.110 50.934 52.037 0.012 0.000 0.722 209 A CB 0.694 19.661 19.000 -0.055 0.000 1.243 209 A HN 0.929 nan 8.150 nan 0.000 0.415 210 R N 1.479 121.965 120.500 -0.024 0.000 3.405 210 R HA -0.245 4.095 4.340 0.000 0.000 0.258 210 R C 1.159 177.501 176.300 0.070 0.000 1.030 210 R CA 1.404 57.514 56.100 0.016 0.000 0.691 210 R CB -1.856 28.377 30.300 -0.112 0.000 1.093 210 R HN 2.514 nan 8.270 nan 0.000 0.448 211 G N -1.884 106.894 108.800 -0.038 0.000 2.176 211 G HA2 -0.331 3.629 3.960 0.000 0.000 0.253 211 G HA3 -0.331 3.629 3.960 0.000 0.000 0.253 211 G C -0.017 174.599 174.900 -0.473 0.000 0.979 211 G CA 0.315 45.262 45.100 -0.255 0.000 0.641 211 G HN 0.328 nan 8.290 nan 0.000 0.530 212 F N 0.842 120.806 119.950 0.023 0.000 2.577 212 F HA 0.728 5.255 4.527 0.000 0.000 0.318 212 F C 0.707 176.442 175.800 -0.108 0.000 1.065 212 F CA -0.828 57.152 58.000 -0.034 0.000 0.929 212 F CB 2.100 41.063 39.000 -0.061 0.000 1.237 212 F HN -0.019 nan 8.300 nan 0.000 0.468 213 S N 1.932 117.643 115.700 0.017 0.000 2.565 213 S HA 0.447 4.917 4.470 0.000 0.000 0.276 213 S C -0.181 174.393 174.600 -0.045 0.000 1.326 213 S CA -0.440 57.680 58.200 -0.133 0.000 1.045 213 S CB 0.264 63.375 63.200 -0.148 0.000 0.918 213 S HN 0.327 nan 8.310 nan 0.000 0.505 214 I N 3.271 123.797 120.570 -0.074 0.000 2.312 214 I HA 0.219 4.389 4.170 0.000 0.000 0.291 214 I C 0.896 176.973 176.117 -0.067 0.000 1.031 214 I CA 0.044 61.279 61.300 -0.109 0.000 1.293 214 I CB 0.549 38.455 38.000 -0.157 0.000 1.403 214 I HN 0.712 nan 8.210 nan 0.000 0.484 215 N N 4.095 122.758 118.700 -0.062 0.000 2.184 215 N HA 0.126 4.866 4.740 0.000 0.000 0.206 215 N C -0.490 175.066 175.510 0.076 0.000 1.151 215 N CA -0.164 52.935 53.050 0.080 0.000 0.878 215 N CB 0.456 38.965 38.487 0.036 0.000 1.014 215 N HN 0.523 nan 8.380 nan 0.000 0.512 216 N N 1.079 119.674 118.700 -0.175 0.000 2.527 216 N HA 0.174 4.915 4.740 0.000 0.000 0.236 216 N C -1.460 173.843 175.510 -0.345 0.000 0.999 216 N CA 0.068 53.015 53.050 -0.171 0.000 0.935 216 N CB 0.383 38.745 38.487 -0.209 0.000 1.132 216 N HN 0.008 nan 8.380 nan 0.000 0.511 217 F N 0.912 120.807 119.950 -0.092 0.000 2.426 217 F HA 0.366 4.893 4.527 0.000 0.000 0.348 217 F C 0.753 176.441 175.800 -0.187 0.000 1.124 217 F CA -0.678 57.224 58.000 -0.164 0.000 1.008 217 F CB 1.477 40.436 39.000 -0.069 0.000 1.139 217 F HN 0.064 nan 8.300 nan 0.000 0.452 218 Q N 2.388 122.054 119.800 -0.223 0.000 2.348 218 Q HA 0.529 4.869 4.340 0.000 0.000 0.271 218 Q C -1.714 174.037 176.000 -0.415 0.000 1.067 218 Q CA -1.051 54.651 55.803 -0.169 0.000 0.839 218 Q CB 2.726 31.384 28.738 -0.132 0.000 1.354 218 Q HN 0.558 nan 8.270 nan 0.000 0.447 219 Y N 0.828 121.129 120.300 0.002 0.000 2.402 219 Y HA 0.156 4.706 4.550 0.000 0.000 0.325 219 Y C -0.651 175.237 175.900 -0.020 0.000 1.009 219 Y CA -0.873 57.234 58.100 0.012 0.000 1.278 219 Y CB 1.160 39.651 38.460 0.052 0.000 1.105 219 Y HN 0.650 nan 8.280 nan 0.000 0.476 220 D N 2.800 123.242 120.400 0.070 0.000 2.751 220 D HA -0.203 4.437 4.640 0.000 0.000 0.233 220 D C 1.359 177.676 176.300 0.029 0.000 1.149 220 D CA 2.081 56.096 54.000 0.026 0.000 0.682 220 D CB -0.927 39.860 40.800 -0.022 0.000 1.068 220 D HN 1.110 nan 8.370 nan 0.000 0.429 221 G N -1.242 107.560 108.800 0.004 0.000 2.241 221 G HA2 -0.295 3.665 3.960 0.000 0.000 0.244 221 G HA3 -0.295 3.665 3.960 0.000 0.000 0.244 221 G C 0.266 175.175 174.900 0.015 0.000 0.998 221 G CA 0.156 45.250 45.100 -0.011 0.000 0.621 221 G HN 0.428 nan 8.290 nan 0.000 0.519 222 I N 3.453 124.062 120.570 0.064 0.000 2.312 222 I HA 0.313 4.483 4.170 0.000 0.000 0.291 222 I C -1.735 174.453 176.117 0.117 0.000 1.031 222 I CA -3.079 58.277 61.300 0.093 0.000 1.293 222 I CB 0.400 38.469 38.000 0.115 0.000 1.403 222 I HN -0.023 nan 8.210 nan 0.000 0.484 223 P HA 0.049 nan 4.420 nan 0.000 0.271 223 P C -0.104 177.272 177.300 0.127 0.000 1.218 223 P CA -0.225 62.922 63.100 0.079 0.000 0.780 223 P CB 0.977 32.691 31.700 0.024 0.000 0.901 224 S N 0.721 116.523 115.700 0.170 0.000 2.537 224 S HA 0.258 4.728 4.470 0.000 0.000 0.275 224 S C 1.254 175.899 174.600 0.076 0.000 1.272 224 S CA -0.201 58.088 58.200 0.150 0.000 1.050 224 S CB -0.150 63.189 63.200 0.231 0.000 0.961 224 S HN 0.560 nan 8.310 nan 0.000 0.496 225 T N 1.758 116.331 114.554 0.032 0.000 3.040 225 T HA 0.339 4.689 4.350 0.000 0.000 0.250 225 T C 0.615 175.283 174.700 -0.054 0.000 1.058 225 T CA 0.188 62.296 62.100 0.012 0.000 0.988 225 T CB 0.057 68.940 68.868 0.024 0.000 0.993 225 T HN 0.630 nan 8.240 nan 0.000 0.519 226 A N 1.779 124.539 122.820 -0.100 0.000 2.915 226 A HA 0.485 4.805 4.320 0.000 0.000 0.292 226 A C 1.367 178.836 177.584 -0.192 0.000 1.632 226 A CA -0.676 51.230 52.037 -0.219 0.000 1.337 226 A CB -0.366 18.503 19.000 -0.220 0.000 1.111 226 A HN 0.454 nan 8.150 nan 0.000 0.569 227 R N 0.811 121.209 120.500 -0.170 0.000 2.254 227 R HA 0.076 4.416 4.340 0.000 0.000 0.193 227 R C 0.386 176.640 176.300 -0.077 0.000 0.929 227 R CA -0.151 55.903 56.100 -0.078 0.000 1.038 227 R CB 0.186 30.474 30.300 -0.019 0.000 1.009 227 R HN 0.616 nan 8.270 nan 0.000 0.512 228 N N 1.929 120.553 118.700 -0.127 0.000 2.399 228 N HA -0.030 4.711 4.740 0.000 0.000 0.259 228 N C 1.118 176.603 175.510 -0.042 0.000 1.160 228 N CA 0.090 53.137 53.050 -0.005 0.000 0.946 228 N CB 1.517 40.080 38.487 0.127 0.000 1.156 228 N HN -0.014 nan 8.380 nan 0.000 0.489 229 V N 2.336 122.202 119.914 -0.079 0.000 3.078 229 V HA 0.068 4.188 4.120 0.000 0.000 0.265 229 V C 1.907 177.866 176.094 -0.226 0.000 1.122 229 V CA 1.563 63.753 62.300 -0.183 0.000 1.141 229 V CB -0.802 30.881 31.823 -0.233 0.000 0.735 229 V HN 0.516 nan 8.190 nan 0.000 0.498 230 G N -0.467 108.211 108.800 -0.204 0.000 2.509 230 G HA2 -0.127 3.833 3.960 0.000 0.000 0.218 230 G HA3 -0.127 3.833 3.960 0.000 0.000 0.218 230 G C 0.537 175.033 174.900 -0.674 0.000 1.124 230 G CA 0.699 45.550 45.100 -0.416 0.000 0.776 230 G HN 0.723 nan 8.290 nan 0.000 0.547 231 Y N 0.727 120.938 120.300 -0.148 0.000 2.473 231 Y HA 0.419 4.969 4.550 0.000 0.000 0.345 231 Y C 0.408 176.085 175.900 -0.372 0.000 0.932 231 Y CA -1.206 56.641 58.100 -0.422 0.000 1.124 231 Y CB 0.039 38.103 38.460 -0.660 0.000 1.162 231 Y HN -0.103 nan 8.280 nan 0.000 0.629 232 S N 1.781 117.461 115.700 -0.033 0.000 2.546 232 S HA 0.326 4.796 4.470 0.000 0.000 0.290 232 S C 0.875 175.468 174.600 -0.012 0.000 1.290 232 S CA 0.440 58.548 58.200 -0.153 0.000 1.069 232 S CB 0.681 63.629 63.200 -0.420 0.000 0.846 232 S HN 0.647 nan 8.310 nan 0.000 0.495 233 A N 2.131 124.902 122.820 -0.082 0.000 2.676 233 A HA 0.634 4.954 4.320 0.000 0.000 0.258 233 A C 1.125 178.653 177.584 -0.093 0.000 0.898 233 A CA 0.069 52.092 52.037 -0.023 0.000 1.087 233 A CB -0.418 18.577 19.000 -0.008 0.000 1.214 233 A HN 1.363 nan 8.150 nan 0.000 0.474 234 G N 0.395 109.131 108.800 -0.107 0.000 2.541 234 G HA2 -0.259 3.701 3.960 0.000 0.000 0.201 234 G HA3 -0.259 3.701 3.960 0.000 0.000 0.201 234 G C 0.991 175.814 174.900 -0.129 0.000 1.026 234 G CA 0.376 45.420 45.100 -0.093 0.000 0.687 234 G HN 0.293 nan 8.290 nan 0.000 0.492 235 N N 0.579 119.131 118.700 -0.246 0.000 2.242 235 N HA -0.100 4.640 4.740 0.000 0.000 0.191 235 N C 1.772 177.028 175.510 -0.423 0.000 1.005 235 N CA 1.974 54.742 53.050 -0.469 0.000 0.877 235 N CB -0.231 37.675 38.487 -0.969 0.000 0.983 235 N HN 0.550 nan 8.380 nan 0.000 0.439 236 T N -0.276 114.130 114.554 -0.248 0.000 3.176 236 T HA 0.305 4.656 4.350 0.000 0.000 0.263 236 T C 0.638 175.371 174.700 0.056 0.000 1.021 236 T CA -0.295 61.772 62.100 -0.055 0.000 0.905 236 T CB -0.278 68.484 68.868 -0.177 0.000 1.057 236 T HN 0.318 nan 8.240 nan 0.000 0.558 237 L N -1.681 119.563 121.223 0.034 0.000 3.447 237 L HA 0.568 4.908 4.340 0.000 0.000 0.353 237 L C -0.420 176.487 176.870 0.063 0.000 1.338 237 L CA -0.751 54.122 54.840 0.054 0.000 0.899 237 L CB -0.146 41.929 42.059 0.028 0.000 1.332 237 L HN -0.140 nan 8.230 nan 0.000 0.608 238 S N 0.887 116.640 115.700 0.088 0.000 2.537 238 S HA 0.143 4.614 4.470 0.000 0.000 0.286 238 S C -0.128 174.561 174.600 0.147 0.000 1.299 238 S CA 0.199 58.482 58.200 0.139 0.000 1.067 238 S CB 1.228 64.553 63.200 0.209 0.000 0.864 238 S HN 0.456 nan 8.310 nan 0.000 0.494 239 D N 1.403 121.901 120.400 0.164 0.000 2.304 239 D HA 0.191 4.831 4.640 0.000 0.000 0.250 239 D C 0.888 177.324 176.300 0.227 0.000 1.107 239 D CA -0.334 53.748 54.000 0.135 0.000 0.885 239 D CB 0.503 41.344 40.800 0.068 0.000 1.192 239 D HN 0.266 nan 8.370 nan 0.000 0.436 240 M N 2.694 122.399 119.600 0.174 0.000 2.595 240 M HA 0.082 4.562 4.480 0.000 0.000 0.248 240 M C 1.713 178.112 176.300 0.166 0.000 1.119 240 M CA 0.241 55.678 55.300 0.229 0.000 1.079 240 M CB -0.860 31.808 32.600 0.113 0.000 1.472 240 M HN 0.550 nan 8.290 nan 0.000 0.501 241 A N 1.343 124.216 122.820 0.088 0.000 1.978 241 A HA -0.155 4.165 4.320 0.000 0.000 0.220 241 A C 1.956 179.527 177.584 -0.022 0.000 1.170 241 A CA 1.617 53.685 52.037 0.052 0.000 0.636 241 A CB -0.832 18.192 19.000 0.040 0.000 0.810 241 A HN 0.656 nan 8.150 nan 0.000 0.448 242 I N -5.252 115.191 120.570 -0.212 0.000 3.883 242 I HA 0.308 4.478 4.170 0.000 0.000 0.326 242 I C -0.157 175.586 176.117 -0.623 0.000 1.283 242 I CA -0.523 60.459 61.300 -0.529 0.000 1.161 242 I CB 0.065 37.521 38.000 -0.906 0.000 1.012 242 I HN 0.122 nan 8.210 nan 0.000 0.421 243 Y N 0.791 121.048 120.300 -0.072 0.000 2.457 243 Y HA 0.355 4.906 4.550 0.000 0.000 0.333 243 Y C 0.910 176.804 175.900 -0.011 0.000 1.119 243 Y CA -0.784 57.287 58.100 -0.048 0.000 1.143 243 Y CB 1.369 39.805 38.460 -0.040 0.000 1.230 243 Y HN -0.094 nan 8.280 nan 0.000 0.469 244 D N 0.375 120.874 120.400 0.165 0.000 2.201 244 D HA 0.072 4.712 4.640 0.000 0.000 0.209 244 D C 0.047 176.392 176.300 0.075 0.000 0.961 244 D CA 0.640 54.700 54.000 0.100 0.000 0.861 244 D CB 0.509 41.359 40.800 0.084 0.000 0.997 244 D HN 0.615 nan 8.370 nan 0.000 0.486 245 R N -1.403 119.135 120.500 0.064 0.000 2.728 245 R HA 0.536 4.876 4.340 0.000 0.000 0.274 245 R C -2.045 174.221 176.300 -0.057 0.000 1.030 245 R CA -1.066 55.036 56.100 0.003 0.000 0.876 245 R CB 1.433 31.733 30.300 -0.001 0.000 1.259 245 R HN -0.076 nan 8.270 nan 0.000 0.468 246 V N 1.157 121.008 119.914 -0.104 0.000 2.525 246 V HA 0.431 4.551 4.120 0.000 0.000 0.299 246 V C -1.046 174.955 176.094 -0.156 0.000 1.034 246 V CA -0.355 61.841 62.300 -0.174 0.000 0.863 246 V CB 1.750 33.438 31.823 -0.225 0.000 0.999 246 V HN 0.885 nan 8.190 nan 0.000 0.423 247 E N 5.258 125.358 120.200 -0.166 0.000 2.171 247 E HA 0.558 4.908 4.350 0.000 0.000 0.271 247 E C -1.163 175.324 176.600 -0.187 0.000 0.916 247 E CA -0.826 55.483 56.400 -0.152 0.000 0.774 247 E CB 2.616 32.241 29.700 -0.126 0.000 1.128 247 E HN 0.508 nan 8.360 nan 0.000 0.403 248 V N 5.139 124.947 119.914 -0.177 0.000 2.311 248 V HA 0.198 4.318 4.120 0.000 0.000 0.275 248 V C -0.945 175.043 176.094 -0.177 0.000 1.022 248 V CA -0.889 61.292 62.300 -0.199 0.000 0.830 248 V CB 0.909 32.609 31.823 -0.205 0.000 1.012 248 V HN 0.622 nan 8.190 nan 0.000 0.452 249 L N 8.015 129.125 121.223 -0.189 0.000 2.261 249 L HA 0.544 4.884 4.340 0.000 0.000 0.289 249 L C -0.011 176.747 176.870 -0.187 0.000 1.059 249 L CA 0.149 54.884 54.840 -0.176 0.000 0.816 249 L CB 0.579 42.531 42.059 -0.179 0.000 1.191 249 L HN 0.599 nan 8.230 nan 0.000 0.431 250 K N 3.998 124.291 120.400 -0.178 0.000 2.098 250 K HA 0.839 5.159 4.320 0.000 0.000 0.258 250 K C 0.354 176.830 176.600 -0.207 0.000 0.973 250 K CA -0.128 56.037 56.287 -0.204 0.000 0.898 250 K CB 1.410 33.775 32.500 -0.225 0.000 1.057 250 K HN 0.921 nan 8.250 nan 0.000 0.447 251 G N 0.674 109.334 108.800 -0.234 0.000 2.541 251 G HA2 0.043 4.003 3.960 0.000 0.000 0.208 251 G HA3 0.043 4.003 3.960 0.000 0.000 0.208 251 G C -1.493 173.270 174.900 -0.228 0.000 1.191 251 G CA -0.337 44.630 45.100 -0.223 0.000 1.217 251 G HN 0.765 nan 8.290 nan 0.000 0.566 252 A N 0.225 122.915 122.820 -0.217 0.000 2.340 252 A HA 0.783 5.103 4.320 0.000 0.000 0.297 252 A C 0.534 177.999 177.584 -0.197 0.000 1.195 252 A CA 0.991 52.888 52.037 -0.233 0.000 0.769 252 A CB 1.046 19.891 19.000 -0.258 0.000 1.163 252 A HN 2.167 nan 8.150 nan 0.000 0.472 253 T N -0.368 114.065 114.554 -0.202 0.000 3.243 253 T HA 0.269 4.619 4.350 0.000 0.000 0.264 253 T C 1.399 175.981 174.700 -0.197 0.000 1.000 253 T CA 0.691 62.678 62.100 -0.189 0.000 0.901 253 T CB 0.160 68.906 68.868 -0.203 0.000 1.083 253 T HN 0.817 nan 8.240 nan 0.000 0.559 254 G N 2.006 110.694 108.800 -0.187 0.000 2.475 254 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 254 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 254 G C 1.259 176.047 174.900 -0.187 0.000 1.125 254 G CA 1.080 46.071 45.100 -0.182 0.000 0.755 254 G HN 0.536 nan 8.290 nan 0.000 0.565 255 L N -0.157 120.949 121.223 -0.196 0.000 2.021 255 L HA -0.055 4.285 4.340 0.000 0.000 0.215 255 L C 2.433 179.098 176.870 -0.342 0.000 1.074 255 L CA 1.830 56.526 54.840 -0.240 0.000 0.760 255 L CB -0.180 41.690 42.059 -0.314 0.000 0.889 255 L HN 0.265 nan 8.230 nan 0.000 0.433 256 L N -2.928 118.079 121.223 -0.360 0.000 2.609 256 L HA 0.057 4.397 4.340 0.000 0.000 0.230 256 L C 2.059 178.751 176.870 -0.296 0.000 1.064 256 L CA 0.549 55.131 54.840 -0.431 0.000 0.873 256 L CB -0.285 41.526 42.059 -0.414 0.000 1.139 256 L HN 0.108 nan 8.230 nan 0.000 0.490 257 T N -0.157 114.256 114.554 -0.235 0.000 2.777 257 T HA 0.097 4.447 4.350 0.000 0.000 0.266 257 T C 1.264 175.870 174.700 -0.156 0.000 1.040 257 T CA 1.282 63.273 62.100 -0.181 0.000 1.141 257 T CB -0.113 68.643 68.868 -0.187 0.000 0.868 257 T HN 0.585 nan 8.240 nan 0.000 0.444 258 G N 1.204 109.902 108.800 -0.170 0.000 2.554 258 G HA2 -0.008 3.952 3.960 0.000 0.000 0.253 258 G HA3 -0.008 3.952 3.960 0.000 0.000 0.253 258 G C 0.106 174.855 174.900 -0.252 0.000 1.172 258 G CA -0.190 44.826 45.100 -0.140 0.000 0.950 258 G HN 0.948 nan 8.290 nan 0.000 0.557 259 A N 0.724 123.365 122.820 -0.298 0.000 2.454 259 A HA 0.793 5.113 4.320 0.000 0.000 0.260 259 A C 0.947 178.306 177.584 -0.375 0.000 1.106 259 A CA 1.509 53.207 52.037 -0.566 0.000 0.780 259 A CB 0.151 18.780 19.000 -0.618 0.000 1.044 259 A HN 2.577 nan 8.150 nan 0.000 0.498 260 G N 0.499 109.051 108.800 -0.414 0.000 2.490 260 G HA2 0.590 4.550 3.960 0.000 0.000 0.308 260 G HA3 0.590 4.550 3.960 0.000 0.000 0.308 260 G C -0.419 174.320 174.900 -0.269 0.000 1.286 260 G CA 0.199 45.135 45.100 -0.273 0.000 0.825 260 G HN 1.502 nan 8.290 nan 0.000 0.479 261 S N -1.303 114.266 115.700 -0.217 0.000 2.747 261 S HA 0.830 5.301 4.470 0.000 0.000 0.300 261 S C 0.017 174.445 174.600 -0.288 0.000 1.121 261 S CA -0.742 57.325 58.200 -0.221 0.000 0.995 261 S CB 1.383 64.495 63.200 -0.148 0.000 1.113 261 S HN 0.620 nan 8.310 nan 0.000 0.547 262 L N 0.406 121.382 121.223 -0.412 0.000 2.469 262 L HA 0.633 4.973 4.340 0.000 0.000 0.253 262 L C 1.633 178.244 176.870 -0.431 0.000 1.143 262 L CA 0.605 55.086 54.840 -0.599 0.000 0.804 262 L CB 0.392 41.717 42.059 -1.223 0.000 1.214 262 L HN 1.157 nan 8.230 nan 0.000 0.476 263 G N 0.177 108.774 108.800 -0.337 0.000 3.642 263 G HA2 -0.024 3.936 3.960 0.000 0.000 0.205 263 G HA3 -0.024 3.936 3.960 0.000 0.000 0.205 263 G C -0.146 174.658 174.900 -0.161 0.000 1.526 263 G CA 0.283 45.326 45.100 -0.096 0.000 1.097 263 G HN 1.222 nan 8.290 nan 0.000 0.596 264 A N -2.185 120.523 122.820 -0.187 0.000 2.467 264 A HA 0.869 5.189 4.320 0.000 0.000 0.301 264 A C -0.795 176.642 177.584 -0.245 0.000 1.126 264 A CA 0.851 52.762 52.037 -0.210 0.000 0.632 264 A CB 0.943 19.826 19.000 -0.195 0.000 1.331 264 A HN 1.430 nan 8.150 nan 0.000 0.482 265 T N 0.810 115.206 114.554 -0.263 0.000 3.071 265 T HA 0.517 4.868 4.350 0.000 0.000 0.311 265 T C -1.095 173.408 174.700 -0.328 0.000 1.042 265 T CA -0.064 61.855 62.100 -0.301 0.000 1.028 265 T CB 0.776 69.492 68.868 -0.253 0.000 1.068 265 T HN 0.512 nan 8.240 nan 0.000 0.451 266 I N 3.840 124.151 120.570 -0.431 0.000 2.297 266 I HA 0.374 4.544 4.170 0.000 0.000 0.291 266 I C 0.059 175.953 176.117 -0.372 0.000 1.033 266 I CA -0.622 60.428 61.300 -0.416 0.000 1.253 266 I CB 0.760 38.450 38.000 -0.517 0.000 1.396 266 I HN 0.398 nan 8.210 nan 0.000 0.476 267 N N 7.385 125.899 118.700 -0.310 0.000 2.408 267 N HA 0.534 5.274 4.740 0.000 0.000 0.280 267 N C -1.435 173.895 175.510 -0.300 0.000 1.002 267 N CA -0.392 52.486 53.050 -0.287 0.000 0.907 267 N CB 1.216 39.579 38.487 -0.206 0.000 1.161 267 N HN 0.380 nan 8.380 nan 0.000 0.488 268 L N 4.212 125.219 121.223 -0.360 0.000 2.305 268 L HA 0.504 4.844 4.340 0.000 0.000 0.284 268 L C -0.303 176.527 176.870 -0.066 0.000 1.013 268 L CA -0.523 54.100 54.840 -0.361 0.000 0.819 268 L CB 1.316 42.922 42.059 -0.754 0.000 1.227 268 L HN 0.440 nan 8.230 nan 0.000 0.417 269 I N 3.374 123.960 120.570 0.028 0.000 2.331 269 I HA 0.354 4.524 4.170 0.000 0.000 0.292 269 I C 0.529 176.804 176.117 0.263 0.000 0.998 269 I CA -0.421 60.952 61.300 0.121 0.000 1.267 269 I CB 1.148 39.185 38.000 0.061 0.000 1.386 269 I HN 0.594 nan 8.210 nan 0.000 0.476 270 R N 4.561 125.172 120.500 0.186 0.000 2.490 270 R HA 0.240 4.580 4.340 0.000 0.000 0.278 270 R C 0.073 176.420 176.300 0.079 0.000 1.069 270 R CA -0.639 55.483 56.100 0.037 0.000 1.080 270 R CB 1.115 31.388 30.300 -0.044 0.000 1.030 270 R HN 0.477 nan 8.270 nan 0.000 0.491 271 K N 2.594 123.015 120.400 0.033 0.000 2.436 271 K HA 0.001 4.322 4.320 0.000 0.000 0.275 271 K C -0.174 176.572 176.600 0.243 0.000 0.999 271 K CA 0.681 57.050 56.287 0.135 0.000 0.980 271 K CB 0.559 33.138 32.500 0.131 0.000 0.919 271 K HN 0.300 nan 8.250 nan 0.000 0.484 272 K N 2.748 123.263 120.400 0.191 0.000 2.267 272 K HA 0.364 4.684 4.320 0.000 0.000 0.246 272 K C -2.464 174.224 176.600 0.146 0.000 0.954 272 K CA -2.124 54.277 56.287 0.189 0.000 0.824 272 K CB 1.466 34.064 32.500 0.162 0.000 1.167 272 K HN 0.382 nan 8.250 nan 0.000 0.431 273 P HA -0.037 nan 4.420 nan 0.000 0.268 273 P C -0.415 176.941 177.300 0.094 0.000 1.204 273 P CA -0.134 63.018 63.100 0.087 0.000 0.768 273 P CB 0.440 32.172 31.700 0.053 0.000 0.842 274 T N -0.817 113.770 114.554 0.056 0.000 2.849 274 T HA 0.191 4.541 4.350 0.000 0.000 0.284 274 T C 1.356 176.083 174.700 0.046 0.000 1.004 274 T CA -0.390 61.709 62.100 -0.002 0.000 1.021 274 T CB 0.336 69.144 68.868 -0.101 0.000 1.013 274 T HN 0.524 nan 8.240 nan 0.000 0.527 275 H N -0.895 118.197 119.070 0.038 0.000 2.553 275 H HA 0.375 4.931 4.556 0.000 0.000 0.265 275 H C -0.042 175.318 175.328 0.052 0.000 0.964 275 H CA -0.233 55.837 56.048 0.036 0.000 1.156 275 H CB 0.256 30.034 29.762 0.027 0.000 1.411 275 H HN 0.690 nan 8.280 nan 0.000 0.558 276 E N 0.656 120.810 120.200 -0.077 0.000 2.256 276 E HA 0.241 4.591 4.350 0.000 0.000 0.267 276 E C -1.195 175.444 176.600 0.064 0.000 0.892 276 E CA -1.241 55.169 56.400 0.017 0.000 0.775 276 E CB 2.098 31.782 29.700 -0.026 0.000 1.207 276 E HN -0.002 nan 8.360 nan 0.000 0.420 277 F N 2.749 122.695 119.950 -0.005 0.000 2.629 277 F HA 0.100 4.628 4.527 0.000 0.000 0.377 277 F C -0.123 175.697 175.800 0.033 0.000 1.101 277 F CA 0.750 58.760 58.000 0.016 0.000 1.301 277 F CB 0.299 39.312 39.000 0.022 0.000 1.062 277 F HN 0.264 nan 8.300 nan 0.000 0.583 278 K N 3.790 123.745 120.400 -0.741 0.000 2.575 278 K HA 0.588 4.908 4.320 0.000 0.000 0.255 278 K C -1.183 175.128 176.600 -0.482 0.000 0.953 278 K CA -0.602 55.371 56.287 -0.524 0.000 0.840 278 K CB 1.443 33.819 32.500 -0.206 0.000 1.303 278 K HN 0.958 nan 8.250 nan 0.000 0.438 279 G N 2.819 111.441 108.800 -0.296 0.000 2.703 279 G HA2 0.480 4.440 3.960 0.000 0.000 0.294 279 G HA3 0.480 4.440 3.960 0.000 0.000 0.294 279 G C -2.064 172.987 174.900 0.253 0.000 1.451 279 G CA -0.552 44.581 45.100 0.054 0.000 0.869 279 G HN 0.648 nan 8.290 nan 0.000 0.516 280 H N -1.393 117.750 119.070 0.122 0.000 3.012 280 H HA 0.744 5.300 4.556 0.000 0.000 0.367 280 H C -1.963 173.391 175.328 0.043 0.000 1.211 280 H CA -1.017 55.029 56.048 -0.002 0.000 1.139 280 H CB 1.775 31.524 29.762 -0.020 0.000 1.838 280 H HN 0.504 nan 8.280 nan 0.000 0.550 281 V N 1.916 121.790 119.914 -0.067 0.000 2.487 281 V HA 0.304 4.424 4.120 0.000 0.000 0.298 281 V C -0.126 176.024 176.094 0.094 0.000 1.028 281 V CA -0.635 61.638 62.300 -0.046 0.000 0.860 281 V CB 1.593 33.395 31.823 -0.035 0.000 0.991 281 V HN 0.838 nan 8.190 nan 0.000 0.427 282 E N 4.418 124.680 120.200 0.103 0.000 2.218 282 E HA 0.637 4.987 4.350 0.000 0.000 0.263 282 E C -1.651 175.017 176.600 0.114 0.000 0.879 282 E CA -0.574 55.916 56.400 0.151 0.000 0.762 282 E CB 1.639 31.468 29.700 0.215 0.000 1.166 282 E HN 0.614 nan 8.360 nan 0.000 0.415 283 L N 3.052 124.342 121.223 0.112 0.000 2.334 283 L HA 0.764 5.104 4.340 0.000 0.000 0.276 283 L C 0.373 177.319 176.870 0.127 0.000 1.014 283 L CA -0.776 54.132 54.840 0.114 0.000 0.815 283 L CB 1.981 44.101 42.059 0.101 0.000 1.268 283 L HN 0.598 nan 8.230 nan 0.000 0.428 284 G N 1.237 110.120 108.800 0.138 0.000 2.619 284 G HA2 0.823 4.783 3.960 0.000 0.000 0.296 284 G HA3 0.823 4.783 3.960 0.000 0.000 0.296 284 G C -1.914 173.081 174.900 0.158 0.000 1.334 284 G CA -0.508 44.677 45.100 0.142 0.000 0.934 284 G HN 0.764 nan 8.290 nan 0.000 0.476 285 A N -0.439 122.470 122.820 0.149 0.000 2.488 285 A HA 0.963 5.284 4.320 0.000 0.000 0.298 285 A C 0.033 177.671 177.584 0.089 0.000 1.044 285 A CA 0.099 52.185 52.037 0.082 0.000 0.693 285 A CB 1.751 20.804 19.000 0.090 0.000 1.272 285 A HN 1.876 nan 8.150 nan 0.000 0.402 286 G N -0.164 108.619 108.800 -0.030 0.000 3.105 286 G HA2 0.602 4.562 3.960 0.000 0.000 0.277 286 G HA3 0.602 4.562 3.960 0.000 0.000 0.277 286 G C -0.361 174.455 174.900 -0.140 0.000 1.375 286 G CA -0.377 44.699 45.100 -0.040 0.000 0.962 286 G HN 0.910 nan 8.290 nan 0.000 0.541 287 S N 0.098 115.627 115.700 -0.284 0.000 2.585 287 S HA 0.330 4.800 4.470 0.000 0.000 0.273 287 S C -0.430 173.944 174.600 -0.377 0.000 1.339 287 S CA 0.190 58.068 58.200 -0.537 0.000 1.028 287 S CB 0.005 62.569 63.200 -1.060 0.000 0.906 287 S HN 0.644 nan 8.310 nan 0.000 0.528 288 W N 1.539 122.866 121.300 0.046 0.000 5.324 288 W HA -0.155 4.505 4.660 0.000 0.000 0.404 288 W C -0.531 176.021 176.519 0.055 0.000 1.566 288 W CA -0.016 57.370 57.345 0.067 0.000 0.927 288 W CB -2.998 26.547 29.460 0.143 0.000 2.757 288 W HN 0.916 nan 8.180 nan 0.000 1.382 289 D N -0.336 120.115 120.400 0.086 0.000 2.740 289 D HA -0.238 4.402 4.640 0.000 0.000 0.231 289 D C 0.142 176.342 176.300 -0.167 0.000 1.194 289 D CA 1.652 55.620 54.000 -0.053 0.000 0.673 289 D CB -1.087 39.834 40.800 0.202 0.000 0.995 289 D HN 0.406 nan 8.370 nan 0.000 0.411 290 N N 0.973 119.495 118.700 -0.296 0.000 2.609 290 N HA 0.217 4.958 4.740 0.000 0.000 0.234 290 N C -1.383 173.966 175.510 -0.268 0.000 1.001 290 N CA -0.322 52.630 53.050 -0.164 0.000 0.926 290 N CB 0.308 38.798 38.487 0.004 0.000 1.130 290 N HN 0.028 nan 8.380 nan 0.000 0.510 291 Y N 1.414 121.745 120.300 0.052 0.000 2.387 291 Y HA 0.548 5.098 4.550 0.000 0.000 0.330 291 Y C 0.755 176.654 175.900 -0.001 0.000 1.133 291 Y CA -0.870 57.252 58.100 0.037 0.000 1.152 291 Y CB 1.406 39.893 38.460 0.045 0.000 1.215 291 Y HN 0.371 nan 8.280 nan 0.000 0.466 292 R N 1.010 121.623 120.500 0.188 0.000 2.626 292 R HA 0.752 5.092 4.340 0.000 0.000 0.274 292 R C -1.785 174.588 176.300 0.122 0.000 1.031 292 R CA -0.631 55.531 56.100 0.103 0.000 0.898 292 R CB 1.702 32.046 30.300 0.074 0.000 1.222 292 R HN 0.795 nan 8.270 nan 0.000 0.455 293 S N 1.873 117.639 115.700 0.110 0.000 2.546 293 S HA 0.533 5.003 4.470 0.000 0.000 0.272 293 S C -1.317 173.340 174.600 0.095 0.000 1.140 293 S CA -0.896 57.374 58.200 0.117 0.000 0.920 293 S CB 1.665 64.954 63.200 0.149 0.000 1.083 293 S HN 0.752 nan 8.310 nan 0.000 0.476 294 E N 1.562 121.804 120.200 0.071 0.000 2.366 294 E HA 0.754 5.104 4.350 0.000 0.000 0.278 294 E C -1.767 174.818 176.600 -0.025 0.000 0.923 294 E CA -1.238 55.183 56.400 0.036 0.000 0.761 294 E CB 1.802 31.528 29.700 0.043 0.000 1.231 294 E HN 0.565 nan 8.360 nan 0.000 0.443 295 L N 1.529 122.733 121.223 -0.032 0.000 2.470 295 L HA 0.609 4.949 4.340 0.000 0.000 0.268 295 L C -1.980 174.861 176.870 -0.049 0.000 0.964 295 L CA -0.272 54.542 54.840 -0.044 0.000 0.839 295 L CB 2.076 44.181 42.059 0.076 0.000 1.276 295 L HN 0.700 nan 8.230 nan 0.000 0.403 296 D N 3.571 123.891 120.400 -0.133 0.000 2.502 296 D HA 0.636 5.277 4.640 0.000 0.000 0.249 296 D C -1.634 174.717 176.300 0.086 0.000 1.092 296 D CA -0.033 53.962 54.000 -0.009 0.000 0.839 296 D CB 2.423 43.226 40.800 0.005 0.000 1.264 296 D HN 0.404 nan 8.370 nan 0.000 0.511 297 V N 2.308 122.282 119.914 0.100 0.000 2.638 297 V HA 0.644 4.765 4.120 0.000 0.000 0.306 297 V C -0.396 175.747 176.094 0.081 0.000 1.052 297 V CA -0.496 61.865 62.300 0.101 0.000 0.885 297 V CB 1.883 33.785 31.823 0.131 0.000 0.999 297 V HN 0.582 nan 8.190 nan 0.000 0.424 298 S N 2.586 118.313 115.700 0.045 0.000 2.579 298 S HA 0.981 5.451 4.470 0.000 0.000 0.272 298 S C -0.423 174.243 174.600 0.111 0.000 1.141 298 S CA 0.374 58.608 58.200 0.057 0.000 0.843 298 S CB 1.995 65.212 63.200 0.028 0.000 1.122 298 S HN 1.978 nan 8.310 nan 0.000 0.468 299 G N 2.148 111.013 108.800 0.107 0.000 2.361 299 G HA2 0.213 4.173 3.960 0.000 0.000 0.331 299 G HA3 0.213 4.173 3.960 0.000 0.000 0.331 299 G C -3.551 171.403 174.900 0.090 0.000 1.324 299 G CA -0.670 44.511 45.100 0.135 0.000 0.984 299 G HN 0.619 nan 8.290 nan 0.000 0.586 300 P HA 0.349 nan 4.420 nan 0.000 0.269 300 P C 0.504 177.812 177.300 0.012 0.000 1.209 300 P CA -0.069 63.054 63.100 0.038 0.000 0.776 300 P CB 0.985 32.714 31.700 0.048 0.000 0.876 301 L N 0.515 121.724 121.223 -0.023 0.000 2.781 301 L HA 0.142 4.482 4.340 0.000 0.000 0.245 301 L C 1.178 178.030 176.870 -0.030 0.000 1.118 301 L CA 0.294 55.114 54.840 -0.033 0.000 0.918 301 L CB 0.158 42.184 42.059 -0.056 0.000 1.246 301 L HN 0.422 nan 8.230 nan 0.000 0.526 302 T N -3.881 110.658 114.554 -0.026 0.000 2.950 302 T HA 0.248 4.598 4.350 0.000 0.000 0.288 302 T C 0.899 175.595 174.700 -0.006 0.000 1.035 302 T CA -0.685 61.407 62.100 -0.013 0.000 1.028 302 T CB 1.896 70.761 68.868 -0.005 0.000 1.109 302 T HN 0.214 nan 8.240 nan 0.000 0.514 303 E N 1.188 121.386 120.200 -0.004 0.000 2.077 303 E HA -0.175 4.175 4.350 0.000 0.000 0.193 303 E C 2.077 178.680 176.600 0.004 0.000 0.989 303 E CA 1.448 57.847 56.400 -0.001 0.000 0.800 303 E CB -0.442 29.257 29.700 -0.002 0.000 0.746 303 E HN 0.688 nan 8.360 nan 0.000 0.452 304 S N 0.354 116.058 115.700 0.006 0.000 2.402 304 S HA 0.060 4.530 4.470 0.000 0.000 0.229 304 S C 1.864 176.470 174.600 0.010 0.000 1.021 304 S CA 0.544 58.749 58.200 0.009 0.000 0.974 304 S CB -0.384 62.823 63.200 0.012 0.000 0.800 304 S HN 0.650 nan 8.310 nan 0.000 0.484 305 G N 2.493 111.297 108.800 0.006 0.000 2.137 305 G HA2 -0.302 3.658 3.960 0.000 0.000 0.237 305 G HA3 -0.302 3.658 3.960 0.000 0.000 0.237 305 G C 0.381 175.280 174.900 -0.001 0.000 1.002 305 G CA 0.333 45.437 45.100 0.007 0.000 0.702 305 G HN 0.770 nan 8.290 nan 0.000 0.515 306 N N -0.366 118.334 118.700 0.000 0.000 2.515 306 N HA 0.176 4.916 4.740 0.000 0.000 0.185 306 N C 0.852 176.344 175.510 -0.030 0.000 1.109 306 N CA 1.130 54.184 53.050 0.007 0.000 0.903 306 N CB 0.004 38.514 38.487 0.037 0.000 0.969 306 N HN 1.380 nan 8.380 nan 0.000 0.450 307 V N -3.420 116.441 119.914 -0.088 0.000 2.823 307 V HA 0.739 4.859 4.120 0.000 0.000 0.312 307 V C -0.759 175.231 176.094 -0.174 0.000 1.072 307 V CA -1.189 60.965 62.300 -0.244 0.000 0.937 307 V CB 1.896 33.491 31.823 -0.381 0.000 1.013 307 V HN 0.016 nan 8.190 nan 0.000 0.430 308 R N 1.970 122.344 120.500 -0.209 0.000 2.651 308 R HA 0.833 5.173 4.340 0.000 0.000 0.278 308 R C -0.247 175.981 176.300 -0.119 0.000 1.010 308 R CA -0.124 55.916 56.100 -0.099 0.000 0.896 308 R CB 2.558 32.847 30.300 -0.018 0.000 1.211 308 R HN 1.238 nan 8.270 nan 0.000 0.456 309 G N 0.738 109.502 108.800 -0.059 0.000 2.680 309 G HA2 0.720 4.680 3.960 0.000 0.000 0.290 309 G HA3 0.720 4.680 3.960 0.000 0.000 0.290 309 G C -1.588 173.308 174.900 -0.007 0.000 1.355 309 G CA -0.614 44.452 45.100 -0.056 0.000 0.903 309 G HN 0.436 nan 8.290 nan 0.000 0.474 310 R N -0.450 120.037 120.500 -0.023 0.000 2.522 310 R HA 0.608 4.948 4.340 0.000 0.000 0.273 310 R C -1.433 174.846 176.300 -0.036 0.000 1.133 310 R CA -0.487 55.620 56.100 0.013 0.000 0.969 310 R CB 1.678 32.019 30.300 0.068 0.000 1.235 310 R HN 0.975 nan 8.270 nan 0.000 0.433 311 A N 3.237 126.072 122.820 0.025 0.000 2.393 311 A HA 0.718 5.038 4.320 0.000 0.000 0.306 311 A C -1.570 176.087 177.584 0.121 0.000 1.050 311 A CA -0.657 51.403 52.037 0.038 0.000 0.724 311 A CB 2.153 21.172 19.000 0.033 0.000 1.248 311 A HN 0.473 nan 8.150 nan 0.000 0.424 312 V N 1.557 121.583 119.914 0.186 0.000 2.733 312 V HA 0.838 4.959 4.120 0.000 0.000 0.306 312 V C -0.541 175.670 176.094 0.195 0.000 1.084 312 V CA 0.181 62.592 62.300 0.185 0.000 0.905 312 V CB 1.669 33.611 31.823 0.199 0.000 1.010 312 V HN 1.882 nan 8.190 nan 0.000 0.424 313 A N 5.264 128.169 122.820 0.142 0.000 2.371 313 A HA 1.039 5.359 4.320 0.000 0.000 0.311 313 A C -0.397 177.193 177.584 0.010 0.000 1.068 313 A CA -0.060 52.030 52.037 0.088 0.000 0.744 313 A CB 1.812 20.958 19.000 0.243 0.000 1.239 313 A HN 2.135 nan 8.150 nan 0.000 0.435 314 A N 1.168 123.935 122.820 -0.089 0.000 2.449 314 A HA 0.741 5.061 4.320 0.000 0.000 0.302 314 A C -1.682 175.916 177.584 0.023 0.000 1.048 314 A CA -0.397 51.634 52.037 -0.010 0.000 0.708 314 A CB 1.174 20.173 19.000 -0.002 0.000 1.274 314 A HN 1.596 nan 8.150 nan 0.000 0.410 315 Y N 0.945 121.217 120.300 -0.047 0.000 2.421 315 Y HA 0.641 5.191 4.550 0.000 0.000 0.339 315 Y C -0.611 175.305 175.900 0.027 0.000 0.996 315 Y CA -0.374 57.713 58.100 -0.022 0.000 1.046 315 Y CB 1.971 40.433 38.460 0.002 0.000 1.226 315 Y HN 0.810 nan 8.280 nan 0.000 0.445 316 Q N 4.572 124.020 119.800 -0.587 0.000 2.305 316 Q HA 0.444 4.784 4.340 0.000 0.000 0.271 316 Q C -2.298 173.371 176.000 -0.550 0.000 1.046 316 Q CA -0.748 54.807 55.803 -0.415 0.000 0.798 316 Q CB 1.955 30.599 28.738 -0.155 0.000 1.286 316 Q HN 0.759 nan 8.270 nan 0.000 0.435 317 D N 2.622 122.827 120.400 -0.325 0.000 2.879 317 D HA 0.492 5.132 4.640 0.000 0.000 0.236 317 D C -1.735 174.554 176.300 -0.018 0.000 1.171 317 D CA -0.328 53.561 54.000 -0.184 0.000 0.868 317 D CB 1.192 41.923 40.800 -0.115 0.000 1.598 317 D HN 0.579 nan 8.370 nan 0.000 0.497 318 K N 1.656 122.002 120.400 -0.090 0.000 2.578 318 K HA 0.446 4.766 4.320 0.000 0.000 0.287 318 K C -0.970 175.513 176.600 -0.195 0.000 1.010 318 K CA -0.837 55.431 56.287 -0.032 0.000 0.889 318 K CB 1.772 34.300 32.500 0.047 0.000 1.514 318 K HN 0.430 nan 8.250 nan 0.000 0.424 319 H N -0.311 118.820 119.070 0.100 0.000 3.315 319 H HA 0.571 5.127 4.556 0.000 0.000 0.280 319 H C -0.365 175.076 175.328 0.189 0.000 1.664 319 H CA -0.480 55.623 56.048 0.091 0.000 1.531 319 H CB 1.854 31.678 29.762 0.103 0.000 1.673 319 H HN 0.809 nan 8.280 nan 0.000 0.857 320 S N -0.392 115.432 115.700 0.206 0.000 2.656 320 S HA 0.131 4.601 4.470 0.000 0.000 0.273 320 S C 0.442 174.577 174.600 -0.774 0.000 1.168 320 S CA -0.612 57.450 58.200 -0.231 0.000 0.817 320 S CB 0.283 63.373 63.200 -0.184 0.000 1.146 320 S HN 0.518 nan 8.310 nan 0.000 0.475 321 F N 0.594 119.538 119.950 -1.675 0.000 2.307 321 F HA 0.289 4.816 4.527 0.000 0.000 0.301 321 F C 0.777 176.301 175.800 -0.461 0.000 1.076 321 F CA 0.156 57.498 58.000 -1.096 0.000 1.383 321 F CB -0.953 37.522 39.000 -0.875 0.000 1.055 321 F HN 0.356 nan 8.300 nan 0.000 0.526 322 M N 1.403 120.371 119.600 -1.054 0.000 2.249 322 M HA 0.139 4.619 4.480 0.000 0.000 0.351 322 M C 0.033 176.081 176.300 -0.420 0.000 1.180 322 M CA -0.494 54.369 55.300 -0.728 0.000 1.127 322 M CB 0.457 32.540 32.600 -0.861 0.000 1.546 322 M HN -0.122 nan 8.290 nan 0.000 0.461 323 D N 2.148 122.314 120.400 -0.390 0.000 2.382 323 D HA -0.019 4.621 4.640 0.000 0.000 0.240 323 D C 0.723 176.648 176.300 -0.625 0.000 1.146 323 D CA 0.727 54.522 54.000 -0.343 0.000 0.897 323 D CB 0.368 41.063 40.800 -0.175 0.000 1.197 323 D HN 0.820 nan 8.370 nan 0.000 0.432 324 H N -0.190 118.864 119.070 -0.027 0.000 2.740 324 H HA -0.303 4.253 4.556 0.000 0.000 0.306 324 H C -0.957 174.419 175.328 0.079 0.000 1.096 324 H CA 0.606 56.652 56.048 -0.004 0.000 1.155 324 H CB -2.641 27.062 29.762 -0.097 0.000 1.367 324 H HN 0.415 nan 8.280 nan 0.000 0.387 325 Y N 1.563 121.793 120.300 -0.117 0.000 2.376 325 Y HA 0.497 5.047 4.550 0.000 0.000 0.340 325 Y C -0.301 175.587 175.900 -0.020 0.000 0.965 325 Y CA -0.597 57.448 58.100 -0.092 0.000 1.078 325 Y CB 1.551 39.886 38.460 -0.209 0.000 1.193 325 Y HN 0.489 nan 8.280 nan 0.000 0.452 326 E N 5.161 124.849 120.200 -0.852 0.000 2.408 326 E HA 0.607 4.957 4.350 0.000 0.000 0.275 326 E C -1.811 174.251 176.600 -0.897 0.000 0.935 326 E CA -1.419 54.480 56.400 -0.835 0.000 0.775 326 E CB 2.714 32.029 29.700 -0.642 0.000 1.277 326 E HN 0.673 nan 8.360 nan 0.000 0.455 327 R N 0.973 121.138 120.500 -0.559 0.000 2.621 327 R HA 0.377 4.717 4.340 0.000 0.000 0.284 327 R C -1.565 174.624 176.300 -0.186 0.000 0.998 327 R CA -0.797 55.125 56.100 -0.297 0.000 0.895 327 R CB 1.590 31.798 30.300 -0.153 0.000 1.195 327 R HN 0.713 nan 8.270 nan 0.000 0.450 328 K N 1.472 121.802 120.400 -0.116 0.000 2.426 328 K HA 0.410 4.730 4.320 0.000 0.000 0.254 328 K C -1.306 175.260 176.600 -0.057 0.000 0.936 328 K CA -0.845 55.370 56.287 -0.119 0.000 0.801 328 K CB 2.199 34.659 32.500 -0.067 0.000 1.139 328 K HN 0.587 nan 8.250 nan 0.000 0.424 329 T N -0.779 113.706 114.554 -0.115 0.000 2.829 329 T HA 0.484 4.835 4.350 0.000 0.000 0.280 329 T C -0.466 174.240 174.700 0.011 0.000 0.999 329 T CA -0.755 61.321 62.100 -0.040 0.000 0.983 329 T CB 1.391 70.234 68.868 -0.042 0.000 0.968 329 T HN 0.436 nan 8.240 nan 0.000 0.446 330 S N 1.713 117.451 115.700 0.064 0.000 2.561 330 S HA 0.702 5.172 4.470 0.000 0.000 0.303 330 S C -0.314 174.200 174.600 -0.143 0.000 1.110 330 S CA -0.815 57.433 58.200 0.081 0.000 1.034 330 S CB 1.374 64.729 63.200 0.258 0.000 1.010 330 S HN 1.206 nan 8.310 nan 0.000 0.482 331 V N 2.133 121.860 119.914 -0.312 0.000 2.823 331 V HA 0.867 4.987 4.120 0.000 0.000 0.312 331 V C -2.132 173.662 176.094 -0.501 0.000 1.072 331 V CA -0.557 61.581 62.300 -0.271 0.000 0.937 331 V CB 1.428 33.183 31.823 -0.114 0.000 1.013 331 V HN 0.818 nan 8.190 nan 0.000 0.430 332 Y N 3.991 124.453 120.300 0.271 0.000 2.534 332 Y HA 0.800 5.350 4.550 0.000 0.000 0.345 332 Y C -0.967 175.125 175.900 0.320 0.000 1.031 332 Y CA -0.756 57.508 58.100 0.274 0.000 1.022 332 Y CB 2.297 40.918 38.460 0.269 0.000 1.292 332 Y HN 0.915 nan 8.280 nan 0.000 0.459 333 Y N 0.442 120.898 120.300 0.259 0.000 2.480 333 Y HA 0.725 5.275 4.550 0.000 0.000 0.329 333 Y C -1.138 174.844 175.900 0.137 0.000 1.127 333 Y CA -1.088 57.115 58.100 0.172 0.000 1.037 333 Y CB 2.078 40.600 38.460 0.104 0.000 1.320 333 Y HN 0.744 nan 8.280 nan 0.000 0.446 334 G N 5.788 114.300 108.800 -0.479 0.000 2.740 334 G HA2 0.600 4.560 3.960 0.000 0.000 0.296 334 G HA3 0.600 4.560 3.960 0.000 0.000 0.296 334 G C -2.359 172.206 174.900 -0.557 0.000 1.439 334 G CA -0.701 44.133 45.100 -0.443 0.000 1.066 334 G HN 0.832 nan 8.290 nan 0.000 0.527 335 I N 1.813 122.116 120.570 -0.445 0.000 2.619 335 I HA 0.659 4.830 4.170 0.000 0.000 0.292 335 I C -1.387 174.651 176.117 -0.131 0.000 1.100 335 I CA -1.202 59.938 61.300 -0.267 0.000 1.043 335 I CB 1.981 39.896 38.000 -0.142 0.000 1.239 335 I HN 0.343 nan 8.210 nan 0.000 0.420 336 L N 6.629 127.801 121.223 -0.086 0.000 2.362 336 L HA 0.575 4.915 4.340 0.000 0.000 0.271 336 L C -0.781 176.044 176.870 -0.075 0.000 1.002 336 L CA -0.585 54.190 54.840 -0.109 0.000 0.818 336 L CB 2.093 44.107 42.059 -0.074 0.000 1.298 336 L HN 0.540 nan 8.230 nan 0.000 0.420 337 E N 2.015 122.086 120.200 -0.215 0.000 2.222 337 E HA 0.530 4.880 4.350 0.000 0.000 0.267 337 E C -1.689 174.713 176.600 -0.331 0.000 0.884 337 E CA -0.539 55.792 56.400 -0.115 0.000 0.764 337 E CB 2.358 32.040 29.700 -0.030 0.000 1.169 337 E HN 0.237 nan 8.360 nan 0.000 0.413 338 F N 1.448 121.413 119.950 0.025 0.000 2.518 338 F HA 0.247 4.774 4.527 0.000 0.000 0.323 338 F C 0.068 175.877 175.800 0.015 0.000 1.129 338 F CA -0.851 57.159 58.000 0.016 0.000 0.920 338 F CB 1.598 40.604 39.000 0.010 0.000 1.160 338 F HN 0.208 nan 8.300 nan 0.000 0.440 339 D N 4.911 125.407 120.400 0.160 0.000 2.396 339 D HA 0.287 4.927 4.640 0.000 0.000 0.225 339 D C 0.939 177.297 176.300 0.097 0.000 1.121 339 D CA 0.142 54.199 54.000 0.095 0.000 0.853 339 D CB 1.395 42.220 40.800 0.042 0.000 1.043 339 D HN 0.497 nan 8.370 nan 0.000 0.500 340 L N 2.674 123.946 121.223 0.081 0.000 2.022 340 L HA -0.086 4.254 4.340 0.000 0.000 0.204 340 L C 1.059 177.950 176.870 0.034 0.000 1.076 340 L CA 0.847 55.722 54.840 0.058 0.000 0.749 340 L CB -0.295 41.791 42.059 0.047 0.000 0.903 340 L HN 0.341 nan 8.230 nan 0.000 0.439 341 N N -1.971 116.740 118.700 0.018 0.000 2.890 341 N HA 0.303 5.043 4.740 0.000 0.000 0.317 341 N C -2.320 173.178 175.510 -0.020 0.000 1.355 341 N CA -1.601 51.449 53.050 0.000 0.000 0.803 341 N CB -0.228 38.259 38.487 -0.001 0.000 1.465 341 N HN -0.317 nan 8.380 nan 0.000 0.591 342 P HA 0.021 nan 4.420 nan 0.000 0.222 342 P C -0.400 176.852 177.300 -0.080 0.000 1.147 342 P CA 1.145 64.218 63.100 -0.044 0.000 0.790 342 P CB 0.138 31.816 31.700 -0.037 0.000 0.780 343 D N -1.890 118.430 120.400 -0.133 0.000 2.431 343 D HA 0.113 4.753 4.640 0.000 0.000 0.213 343 D C -0.176 175.928 176.300 -0.327 0.000 1.130 343 D CA 0.501 54.351 54.000 -0.251 0.000 0.834 343 D CB 0.418 40.998 40.800 -0.366 0.000 0.985 343 D HN 0.082 nan 8.370 nan 0.000 0.504 344 T N 0.793 115.255 114.554 -0.152 0.000 2.921 344 T HA 0.487 4.837 4.350 0.000 0.000 0.297 344 T C -0.467 174.240 174.700 0.013 0.000 1.013 344 T CA -0.567 61.500 62.100 -0.055 0.000 0.990 344 T CB 2.392 71.292 68.868 0.053 0.000 1.023 344 T HN -0.119 nan 8.240 nan 0.000 0.447 345 M N 4.048 123.673 119.600 0.041 0.000 2.263 345 M HA 0.619 5.099 4.480 0.000 0.000 0.295 345 M C -1.976 174.390 176.300 0.109 0.000 1.028 345 M CA -1.139 54.207 55.300 0.077 0.000 0.921 345 M CB 1.742 34.380 32.600 0.063 0.000 1.601 345 M HN 0.579 nan 8.290 nan 0.000 0.440 346 L N 4.551 125.866 121.223 0.153 0.000 2.309 346 L HA 0.711 5.051 4.340 0.000 0.000 0.282 346 L C -1.137 175.871 176.870 0.231 0.000 1.036 346 L CA 0.487 55.428 54.840 0.168 0.000 0.806 346 L CB 1.995 44.131 42.059 0.128 0.000 1.220 346 L HN 0.709 nan 8.230 nan 0.000 0.429 347 T N 5.054 119.728 114.554 0.199 0.000 2.840 347 T HA 0.624 4.974 4.350 0.000 0.000 0.287 347 T C -0.801 173.995 174.700 0.160 0.000 0.991 347 T CA -0.452 61.772 62.100 0.207 0.000 0.964 347 T CB 1.345 70.351 68.868 0.230 0.000 0.954 347 T HN 0.618 nan 8.240 nan 0.000 0.438 348 V N 0.524 120.497 119.914 0.098 0.000 2.680 348 V HA 1.095 5.215 4.120 0.000 0.000 0.309 348 V C -0.010 175.906 176.094 -0.296 0.000 1.052 348 V CA -0.624 61.628 62.300 -0.080 0.000 0.908 348 V CB 1.524 33.338 31.823 -0.016 0.000 1.001 348 V HN 1.085 nan 8.190 nan 0.000 0.431 349 G N 1.583 109.924 108.800 -0.765 0.000 2.698 349 G HA2 0.931 4.892 3.960 0.000 0.000 0.293 349 G HA3 0.931 4.892 3.960 0.000 0.000 0.293 349 G C -1.200 173.206 174.900 -0.824 0.000 1.437 349 G CA -0.299 44.242 45.100 -0.931 0.000 0.852 349 G HN 1.731 nan 8.290 nan 0.000 0.499 350 A N 0.539 123.179 122.820 -0.301 0.000 2.520 350 A HA 0.869 5.189 4.320 0.000 0.000 0.298 350 A C -1.073 176.659 177.584 0.247 0.000 1.051 350 A CA -0.241 51.803 52.037 0.011 0.000 0.690 350 A CB 2.095 21.089 19.000 -0.009 0.000 1.281 350 A HN 1.257 nan 8.150 nan 0.000 0.402 351 D N -0.751 119.883 120.400 0.390 0.000 2.592 351 D HA 0.725 5.365 4.640 0.000 0.000 0.263 351 D C -0.988 175.568 176.300 0.427 0.000 1.132 351 D CA -0.530 53.748 54.000 0.463 0.000 0.996 351 D CB 1.202 42.301 40.800 0.498 0.000 1.442 351 D HN 0.906 nan 8.370 nan 0.000 0.486 352 Y N -0.632 119.813 120.300 0.242 0.000 2.465 352 Y HA 0.400 4.950 4.550 0.000 0.000 0.323 352 Y C -2.170 173.846 175.900 0.193 0.000 1.191 352 Y CA -0.495 57.739 58.100 0.223 0.000 1.082 352 Y CB 1.398 40.014 38.460 0.260 0.000 1.334 352 Y HN 0.726 nan 8.280 nan 0.000 0.449 353 Q N 3.973 123.478 119.800 -0.493 0.000 2.416 353 Q HA 0.440 4.780 4.340 0.000 0.000 0.281 353 Q C -2.379 173.294 176.000 -0.543 0.000 1.067 353 Q CA -0.804 54.711 55.803 -0.480 0.000 0.809 353 Q CB 2.343 30.993 28.738 -0.147 0.000 1.418 353 Q HN 0.783 nan 8.270 nan 0.000 0.411 354 D N 2.079 122.281 120.400 -0.330 0.000 2.602 354 D HA 0.248 4.888 4.640 0.000 0.000 0.245 354 D C -1.395 174.916 176.300 0.018 0.000 1.325 354 D CA -0.343 53.597 54.000 -0.101 0.000 0.952 354 D CB 1.135 41.903 40.800 -0.054 0.000 1.317 354 D HN 0.518 nan 8.370 nan 0.000 0.577 355 N N 2.520 121.265 118.700 0.074 0.000 2.462 355 N HA 0.149 4.889 4.740 0.000 0.000 0.242 355 N C -0.880 174.703 175.510 0.121 0.000 1.010 355 N CA -0.359 52.740 53.050 0.082 0.000 0.939 355 N CB 1.598 40.133 38.487 0.080 0.000 1.127 355 N HN 0.392 nan 8.380 nan 0.000 0.509 356 D N 2.765 123.218 120.400 0.089 0.000 2.462 356 D HA 0.313 4.953 4.640 0.000 0.000 0.249 356 D C -2.510 173.818 176.300 0.046 0.000 1.117 356 D CA -1.752 52.301 54.000 0.089 0.000 0.900 356 D CB 1.468 42.315 40.800 0.079 0.000 1.039 356 D HN 0.215 nan 8.370 nan 0.000 0.516 357 P HA 0.476 nan 4.420 nan 0.000 0.283 357 P C -1.173 176.143 177.300 0.026 0.000 1.278 357 P CA -0.883 62.221 63.100 0.007 0.000 0.834 357 P CB 1.454 33.244 31.700 0.150 0.000 1.150 358 K N -0.555 119.807 120.400 -0.064 0.000 2.513 358 K HA 0.574 4.894 4.320 0.000 0.000 0.251 358 K C -0.158 176.486 176.600 0.073 0.000 0.939 358 K CA -0.310 55.995 56.287 0.031 0.000 0.793 358 K CB 1.486 33.994 32.500 0.013 0.000 1.241 358 K HN 0.757 nan 8.250 nan 0.000 0.431 359 G N 1.378 110.280 108.800 0.170 0.000 2.204 359 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 359 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 359 G C -0.282 174.824 174.900 0.342 0.000 1.062 359 G CA -0.049 45.204 45.100 0.254 0.000 0.798 359 G HN 0.447 nan 8.290 nan 0.000 0.496 360 S N -0.015 115.864 115.700 0.300 0.000 2.549 360 S HA 0.539 5.009 4.470 0.000 0.000 0.283 360 S C 1.125 175.845 174.600 0.198 0.000 1.320 360 S CA 0.346 58.720 58.200 0.290 0.000 1.058 360 S CB 1.361 64.750 63.200 0.314 0.000 0.882 360 S HN 1.266 nan 8.310 nan 0.000 0.498 361 G N 0.878 109.763 108.800 0.142 0.000 2.477 361 G HA2 0.520 4.480 3.960 0.000 0.000 0.304 361 G HA3 0.520 4.480 3.960 0.000 0.000 0.304 361 G C -1.613 173.503 174.900 0.360 0.000 1.175 361 G CA -0.439 44.775 45.100 0.189 0.000 0.907 361 G HN 0.615 nan 8.290 nan 0.000 0.509 362 W N -0.227 121.159 121.300 0.144 0.000 3.097 362 W HA 0.489 5.149 4.660 0.000 0.000 0.335 362 W C 0.206 176.804 176.519 0.132 0.000 1.114 362 W CA -1.090 56.364 57.345 0.182 0.000 1.231 362 W CB 0.985 30.552 29.460 0.179 0.000 1.388 362 W HN 0.834 nan 8.180 nan 0.000 0.485 363 S N 3.319 119.166 115.700 0.245 0.000 3.572 363 S HA 0.191 4.661 4.470 0.000 0.000 0.394 363 S C 0.453 175.135 174.600 0.137 0.000 0.923 363 S CA 1.955 60.197 58.200 0.070 0.000 1.291 363 S CB -1.573 61.362 63.200 -0.441 0.000 0.914 363 S HN 2.001 nan 8.310 nan 0.000 0.545 364 G N 0.607 109.551 108.800 0.239 0.000 2.466 364 G HA2 -0.097 3.863 3.960 0.000 0.000 0.218 364 G HA3 -0.097 3.863 3.960 0.000 0.000 0.218 364 G C 0.407 175.335 174.900 0.046 0.000 1.237 364 G CA 0.208 45.349 45.100 0.069 0.000 0.954 364 G HN 1.034 nan 8.290 nan 0.000 0.580 365 S N -0.738 114.948 115.700 -0.022 0.000 2.663 365 S HA 0.567 5.037 4.470 0.000 0.000 0.247 365 S C -0.098 174.760 174.600 0.429 0.000 1.074 365 S CA 1.199 59.505 58.200 0.177 0.000 0.955 365 S CB 0.612 63.983 63.200 0.285 0.000 0.901 365 S HN 1.516 nan 8.310 nan 0.000 0.505 366 F N -0.178 119.892 119.950 0.200 0.000 2.703 366 F HA 0.709 5.236 4.527 0.000 0.000 0.308 366 F C -3.664 172.174 175.800 0.064 0.000 1.126 366 F CA -2.560 55.569 58.000 0.214 0.000 0.959 366 F CB 0.229 39.307 39.000 0.131 0.000 1.297 366 F HN -0.276 nan 8.300 nan 0.000 0.441 367 P HA 0.324 nan 4.420 nan 0.000 0.275 367 P C 0.542 177.849 177.300 0.011 0.000 1.228 367 P CA -0.393 62.741 63.100 0.056 0.000 0.786 367 P CB 1.227 32.993 31.700 0.109 0.000 0.927 368 L N 0.624 121.694 121.223 -0.255 0.000 2.044 368 L HA 0.000 4.340 4.340 0.000 0.000 0.205 368 L C 0.644 177.219 176.870 -0.492 0.000 1.075 368 L CA 1.399 55.938 54.840 -0.502 0.000 0.747 368 L CB -0.348 41.121 42.059 -0.982 0.000 0.903 368 L HN 0.307 nan 8.230 nan 0.000 0.435 369 F N -0.297 119.618 119.950 -0.058 0.000 2.523 369 F HA 0.259 4.786 4.527 0.000 0.000 0.329 369 F C 0.516 176.245 175.800 -0.119 0.000 1.061 369 F CA -1.749 56.209 58.000 -0.070 0.000 0.967 369 F CB 0.672 39.608 39.000 -0.106 0.000 1.218 369 F HN -0.031 nan 8.300 nan 0.000 0.480 370 D N -0.841 119.604 120.400 0.075 0.000 2.399 370 D HA 0.109 4.749 4.640 0.000 0.000 0.288 370 D C 1.513 177.735 176.300 -0.130 0.000 1.197 370 D CA -0.132 53.826 54.000 -0.070 0.000 1.081 370 D CB -0.569 40.184 40.800 -0.078 0.000 1.139 370 D HN 0.342 nan 8.370 nan 0.000 0.554 371 S N -1.739 113.874 115.700 -0.144 0.000 2.383 371 S HA -0.198 4.272 4.470 0.000 0.000 0.229 371 S C 1.264 175.755 174.600 -0.181 0.000 1.030 371 S CA 1.776 59.859 58.200 -0.195 0.000 1.002 371 S CB -0.499 62.646 63.200 -0.092 0.000 0.829 371 S HN 0.600 nan 8.310 nan 0.000 0.467 372 Q N -0.935 118.789 119.800 -0.128 0.000 2.135 372 Q HA 0.535 4.875 4.340 0.000 0.000 0.231 372 Q C 0.922 176.835 176.000 -0.146 0.000 0.817 372 Q CA 0.025 55.750 55.803 -0.131 0.000 1.073 372 Q CB 0.676 29.358 28.738 -0.093 0.000 1.176 372 Q HN 0.436 nan 8.270 nan 0.000 0.478 373 G N 1.476 110.191 108.800 -0.142 0.000 2.848 373 G HA2 -0.344 3.616 3.960 0.000 0.000 0.246 373 G HA3 -0.344 3.616 3.960 0.000 0.000 0.246 373 G C 0.001 174.953 174.900 0.086 0.000 1.374 373 G CA -0.164 44.833 45.100 -0.172 0.000 0.982 373 G HN 0.386 nan 8.290 nan 0.000 0.563 374 N N -0.296 118.440 118.700 0.061 0.000 1.222 374 N HA -0.219 4.521 4.740 0.000 0.000 0.134 374 N C 0.523 176.196 175.510 0.273 0.000 0.787 374 N CA 2.045 55.168 53.050 0.121 0.000 0.929 374 N CB -0.639 37.885 38.487 0.062 0.000 1.170 374 N HN 1.404 nan 8.380 nan 0.000 0.541 375 R N 0.668 121.277 120.500 0.181 0.000 2.647 375 R HA 0.368 4.708 4.340 0.000 0.000 0.260 375 R C -1.804 174.539 176.300 0.072 0.000 1.154 375 R CA -0.470 55.713 56.100 0.138 0.000 1.029 375 R CB 0.681 31.052 30.300 0.119 0.000 1.262 375 R HN 0.487 nan 8.270 nan 0.000 0.437 376 N N 1.587 120.312 118.700 0.042 0.000 2.529 376 N HA 0.230 4.970 4.740 0.000 0.000 0.278 376 N C -1.223 174.292 175.510 0.009 0.000 1.146 376 N CA 0.051 53.117 53.050 0.027 0.000 0.980 376 N CB 1.210 39.726 38.487 0.048 0.000 1.124 376 N HN 0.431 nan 8.380 nan 0.000 0.458 377 D N 0.426 120.807 120.400 -0.031 0.000 2.505 377 D HA 0.423 5.063 4.640 0.000 0.000 0.250 377 D C -0.814 175.403 176.300 -0.138 0.000 1.164 377 D CA -0.361 53.612 54.000 -0.044 0.000 0.870 377 D CB 1.300 42.111 40.800 0.018 0.000 1.160 377 D HN 0.179 nan 8.370 nan 0.000 0.549 378 V N -0.367 119.393 119.914 -0.255 0.000 2.971 378 V HA 0.673 4.793 4.120 0.000 0.000 0.309 378 V C 0.283 176.300 176.094 -0.127 0.000 1.130 378 V CA -0.975 61.135 62.300 -0.316 0.000 0.964 378 V CB 1.896 33.270 31.823 -0.749 0.000 1.029 378 V HN 0.368 nan 8.190 nan 0.000 0.427 379 S N 1.475 117.139 115.700 -0.060 0.000 2.576 379 S HA 0.235 4.705 4.470 0.000 0.000 0.272 379 S C 1.264 175.837 174.600 -0.045 0.000 1.352 379 S CA -0.297 57.875 58.200 -0.046 0.000 1.021 379 S CB 0.493 63.697 63.200 0.007 0.000 0.887 379 S HN 0.815 nan 8.310 nan 0.000 0.542 380 R N 1.041 121.384 120.500 -0.262 0.000 2.241 380 R HA -0.081 4.259 4.340 0.000 0.000 0.224 380 R C 2.056 178.462 176.300 0.176 0.000 1.101 380 R CA 1.290 57.244 56.100 -0.243 0.000 0.995 380 R CB -0.338 29.734 30.300 -0.381 0.000 0.870 380 R HN 0.719 nan 8.270 nan 0.000 0.463 381 S N -0.238 115.524 115.700 0.104 0.000 2.558 381 S HA -0.012 4.458 4.470 0.000 0.000 0.217 381 S C 0.457 175.066 174.600 0.015 0.000 0.975 381 S CA -0.389 57.825 58.200 0.023 0.000 0.912 381 S CB -0.176 63.039 63.200 0.026 0.000 0.776 381 S HN 0.194 nan 8.310 nan 0.000 0.526 382 F N 3.764 123.713 119.950 -0.002 0.000 2.538 382 F HA 0.474 5.001 4.527 0.000 0.000 0.371 382 F C 0.087 175.924 175.800 0.061 0.000 1.087 382 F CA -0.391 57.630 58.000 0.036 0.000 1.250 382 F CB 0.379 39.384 39.000 0.007 0.000 1.110 382 F HN 0.151 nan 8.300 nan 0.000 0.570 383 N N 4.400 122.794 118.700 -0.511 0.000 2.461 383 N HA 0.157 4.897 4.740 0.000 0.000 0.284 383 N C 0.054 175.432 175.510 -0.219 0.000 1.049 383 N CA -0.780 52.090 53.050 -0.300 0.000 0.889 383 N CB 0.654 38.895 38.487 -0.410 0.000 1.365 383 N HN 0.560 nan 8.380 nan 0.000 0.499 384 N N 1.745 120.423 118.700 -0.037 0.000 2.519 384 N HA -0.006 4.734 4.740 0.000 0.000 0.186 384 N C 0.646 176.290 175.510 0.224 0.000 1.062 384 N CA 0.452 53.523 53.050 0.035 0.000 0.910 384 N CB -0.278 38.311 38.487 0.171 0.000 0.958 384 N HN 0.466 nan 8.380 nan 0.000 0.445 385 G N -0.718 108.266 108.800 0.307 0.000 2.444 385 G HA2 0.572 4.532 3.960 0.000 0.000 0.268 385 G HA3 0.572 4.532 3.960 0.000 0.000 0.268 385 G C -0.252 174.853 174.900 0.343 0.000 1.203 385 G CA -0.155 45.120 45.100 0.291 0.000 0.835 385 G HN 0.473 nan 8.290 nan 0.000 0.543 386 A N 1.838 124.697 122.820 0.064 0.000 2.386 386 A HA 0.360 4.680 4.320 0.000 0.000 0.248 386 A C 1.562 178.942 177.584 -0.340 0.000 1.082 386 A CA -0.147 51.723 52.037 -0.277 0.000 0.789 386 A CB 0.464 19.001 19.000 -0.771 0.000 1.025 386 A HN 0.792 nan 8.150 nan 0.000 0.490 387 K N 0.760 120.938 120.400 -0.371 0.000 2.059 387 K HA -0.181 4.139 4.320 0.000 0.000 0.212 387 K C 1.535 178.133 176.600 -0.004 0.000 1.050 387 K CA 2.462 58.663 56.287 -0.143 0.000 0.927 387 K CB -0.206 32.227 32.500 -0.111 0.000 0.714 387 K HN 0.978 nan 8.250 nan 0.000 0.447 388 W N 0.366 121.715 121.300 0.082 0.000 3.047 388 W HA 0.204 4.864 4.660 0.000 0.000 0.250 388 W C 0.318 176.928 176.519 0.150 0.000 1.314 388 W CA -0.403 57.003 57.345 0.102 0.000 1.540 388 W CB -0.568 28.942 29.460 0.083 0.000 1.127 388 W HN -0.135 nan 8.180 nan 0.000 0.679 389 S N 2.083 117.736 115.700 -0.077 0.000 2.533 389 S HA 0.252 4.722 4.470 0.000 0.000 0.282 389 S C -0.208 174.502 174.600 0.182 0.000 1.304 389 S CA 0.170 58.390 58.200 0.034 0.000 1.063 389 S CB 0.811 63.922 63.200 -0.149 0.000 0.881 389 S HN 0.206 nan 8.310 nan 0.000 0.493 390 S N 5.472 121.307 115.700 0.225 0.000 2.572 390 S HA 0.430 4.900 4.470 0.000 0.000 0.274 390 S C -1.659 173.084 174.600 0.238 0.000 1.150 390 S CA -0.619 57.723 58.200 0.236 0.000 0.944 390 S CB 0.780 64.116 63.200 0.228 0.000 1.071 390 S HN 0.846 nan 8.310 nan 0.000 0.479 391 W N 5.836 127.204 121.300 0.113 0.000 2.147 391 W HA 0.336 4.996 4.660 0.000 0.000 0.325 391 W C 0.020 176.619 176.519 0.132 0.000 0.855 391 W CA -0.856 56.545 57.345 0.093 0.000 1.642 391 W CB 0.170 29.647 29.460 0.030 0.000 1.750 391 W HN 0.902 nan 8.180 nan 0.000 0.359 392 E N 2.850 123.301 120.200 0.418 0.000 2.384 392 E HA 0.069 4.419 4.350 0.000 0.000 0.266 392 E C -0.755 176.123 176.600 0.463 0.000 1.012 392 E CA 0.622 57.252 56.400 0.382 0.000 0.901 392 E CB 0.768 30.660 29.700 0.320 0.000 0.967 392 E HN 0.409 nan 8.360 nan 0.000 0.435 393 Q N 3.500 123.514 119.800 0.357 0.000 2.263 393 Q HA 0.274 4.614 4.340 0.000 0.000 0.266 393 Q C -1.668 174.466 176.000 0.224 0.000 1.002 393 Q CA -0.814 55.149 55.803 0.266 0.000 0.790 393 Q CB 1.605 30.442 28.738 0.165 0.000 1.272 393 Q HN 0.608 nan 8.270 nan 0.000 0.435 394 Y N -1.076 119.294 120.300 0.117 0.000 2.425 394 Y HA 0.838 5.388 4.550 0.000 0.000 0.344 394 Y C -0.536 175.392 175.900 0.048 0.000 0.969 394 Y CA -1.031 57.102 58.100 0.055 0.000 1.052 394 Y CB 1.662 40.183 38.460 0.100 0.000 1.215 394 Y HN 0.442 nan 8.280 nan 0.000 0.451 395 T N 1.615 116.219 114.554 0.084 0.000 2.887 395 T HA 0.878 5.228 4.350 0.000 0.000 0.288 395 T C -0.896 173.904 174.700 0.166 0.000 1.021 395 T CA -1.030 61.093 62.100 0.039 0.000 1.000 395 T CB 2.083 70.923 68.868 -0.047 0.000 1.034 395 T HN 1.149 nan 8.240 nan 0.000 0.467 396 R N 0.189 120.805 120.500 0.193 0.000 2.643 396 R HA 0.711 5.051 4.340 0.000 0.000 0.269 396 R C -1.685 174.734 176.300 0.199 0.000 1.037 396 R CA -0.917 55.350 56.100 0.278 0.000 0.894 396 R CB 1.473 32.030 30.300 0.428 0.000 1.238 396 R HN 0.669 nan 8.270 nan 0.000 0.459 397 T N 0.876 115.578 114.554 0.246 0.000 2.893 397 T HA 0.542 4.893 4.350 0.000 0.000 0.293 397 T C -0.931 173.969 174.700 0.333 0.000 1.027 397 T CA -0.799 61.465 62.100 0.273 0.000 0.988 397 T CB 2.108 71.150 68.868 0.289 0.000 1.043 397 T HN 0.357 nan 8.240 nan 0.000 0.461 398 V N 3.574 123.696 119.914 0.346 0.000 2.525 398 V HA 0.752 4.872 4.120 0.000 0.000 0.299 398 V C -1.062 175.212 176.094 0.300 0.000 1.034 398 V CA -0.962 61.477 62.300 0.232 0.000 0.863 398 V CB 0.833 32.748 31.823 0.153 0.000 0.999 398 V HN 0.924 nan 8.190 nan 0.000 0.423 399 F N 2.365 122.407 119.950 0.153 0.000 2.599 399 F HA 1.014 5.541 4.527 0.000 0.000 0.311 399 F C -0.328 175.547 175.800 0.125 0.000 1.076 399 F CA -1.351 56.737 58.000 0.147 0.000 0.937 399 F CB 2.005 41.102 39.000 0.163 0.000 1.282 399 F HN 0.575 nan 8.300 nan 0.000 0.460 400 A N 2.618 125.609 122.820 0.285 0.000 2.375 400 A HA 0.735 5.055 4.320 0.000 0.000 0.295 400 A C -1.632 176.103 177.584 0.251 0.000 1.066 400 A CA -0.721 51.431 52.037 0.192 0.000 0.722 400 A CB 0.926 19.982 19.000 0.093 0.000 1.206 400 A HN 0.801 nan 8.150 nan 0.000 0.435 401 N N 0.160 119.017 118.700 0.261 0.000 2.404 401 N HA 0.799 5.539 4.740 0.000 0.000 0.297 401 N C -1.243 174.359 175.510 0.153 0.000 1.163 401 N CA -0.455 52.724 53.050 0.214 0.000 0.864 401 N CB 2.042 40.676 38.487 0.246 0.000 1.247 401 N HN 0.593 nan 8.380 nan 0.000 0.510 402 L N 0.779 122.074 121.223 0.120 0.000 2.661 402 L HA 0.336 4.676 4.340 0.000 0.000 0.263 402 L C -1.502 175.417 176.870 0.081 0.000 0.956 402 L CA -0.435 54.463 54.840 0.097 0.000 0.918 402 L CB 1.032 43.139 42.059 0.080 0.000 1.280 402 L HN 0.580 nan 8.230 nan 0.000 0.416 403 E N 2.791 123.040 120.200 0.083 0.000 2.183 403 E HA 0.406 4.756 4.350 0.000 0.000 0.271 403 E C -1.418 175.234 176.600 0.086 0.000 0.919 403 E CA -0.742 55.704 56.400 0.078 0.000 0.781 403 E CB 2.323 32.062 29.700 0.065 0.000 1.140 403 E HN 0.708 nan 8.360 nan 0.000 0.402 404 H N 1.785 120.845 119.070 -0.016 0.000 2.538 404 H HA 0.385 4.941 4.556 0.000 0.000 0.353 404 H C -1.237 174.017 175.328 -0.123 0.000 1.109 404 H CA -0.741 55.218 56.048 -0.149 0.000 1.192 404 H CB 1.200 30.759 29.762 -0.339 0.000 1.555 404 H HN 0.334 nan 8.280 nan 0.000 0.518 405 N N 4.322 122.727 118.700 -0.491 0.000 2.422 405 N HA 0.189 4.929 4.740 0.000 0.000 0.266 405 N C -1.188 174.159 175.510 -0.271 0.000 1.007 405 N CA -0.230 52.700 53.050 -0.201 0.000 0.941 405 N CB 0.361 38.764 38.487 -0.140 0.000 1.115 405 N HN 0.313 nan 8.380 nan 0.000 0.492 406 F N 0.365 120.426 119.950 0.185 0.000 2.380 406 F HA 0.407 4.934 4.527 0.000 0.000 0.321 406 F C 1.694 177.597 175.800 0.170 0.000 1.103 406 F CA -0.816 57.329 58.000 0.241 0.000 1.067 406 F CB 0.800 39.960 39.000 0.267 0.000 1.265 406 F HN 0.519 nan 8.300 nan 0.000 0.517 407 A N 0.904 123.931 122.820 0.344 0.000 2.019 407 A HA -0.171 4.149 4.320 0.000 0.000 0.219 407 A C 1.386 179.100 177.584 0.216 0.000 1.164 407 A CA 1.513 53.679 52.037 0.215 0.000 0.644 407 A CB -0.631 18.473 19.000 0.174 0.000 0.805 407 A HN 0.677 nan 8.150 nan 0.000 0.449 408 N N -0.562 118.311 118.700 0.287 0.000 2.378 408 N HA 0.311 5.051 4.740 0.000 0.000 0.243 408 N C 0.902 176.596 175.510 0.307 0.000 1.137 408 N CA 0.818 54.038 53.050 0.284 0.000 0.862 408 N CB 0.189 38.860 38.487 0.306 0.000 1.116 408 N HN 0.540 nan 8.380 nan 0.000 0.499 409 G N -0.610 108.339 108.800 0.248 0.000 2.155 409 G HA2 -0.253 3.708 3.960 0.000 0.000 0.257 409 G HA3 -0.253 3.708 3.960 0.000 0.000 0.257 409 G C -0.288 174.723 174.900 0.186 0.000 0.983 409 G CA -0.237 44.963 45.100 0.167 0.000 0.676 409 G HN 0.326 nan 8.290 nan 0.000 0.528 410 W N -0.484 120.919 121.300 0.171 0.000 2.449 410 W HA 0.663 5.323 4.660 0.000 0.000 0.331 410 W C -0.375 176.323 176.519 0.298 0.000 1.119 410 W CA -0.585 56.870 57.345 0.183 0.000 1.240 410 W CB 1.855 31.380 29.460 0.109 0.000 1.251 410 W HN 0.342 nan 8.180 nan 0.000 0.576 411 V N 4.936 125.174 119.914 0.540 0.000 2.569 411 V HA 0.733 4.853 4.120 0.000 0.000 0.301 411 V C -0.366 175.990 176.094 0.437 0.000 1.044 411 V CA -0.391 62.192 62.300 0.472 0.000 0.874 411 V CB 1.257 33.229 31.823 0.248 0.000 1.002 411 V HN 0.592 nan 8.190 nan 0.000 0.424 412 G N 4.596 113.690 108.800 0.489 0.000 2.400 412 G HA2 0.659 4.620 3.960 0.000 0.000 0.333 412 G HA3 0.659 4.620 3.960 0.000 0.000 0.333 412 G C -1.223 173.710 174.900 0.056 0.000 1.143 412 G CA -0.685 44.570 45.100 0.258 0.000 0.914 412 G HN 0.841 nan 8.290 nan 0.000 0.480 413 K N 0.648 120.901 120.400 -0.246 0.000 2.464 413 K HA 0.604 4.924 4.320 0.000 0.000 0.253 413 K C -1.528 174.961 176.600 -0.185 0.000 0.933 413 K CA -0.631 55.498 56.287 -0.263 0.000 0.801 413 K CB 2.674 34.889 32.500 -0.474 0.000 1.271 413 K HN 0.282 nan 8.250 nan 0.000 0.430 414 V N 4.762 124.659 119.914 -0.029 0.000 2.443 414 V HA 0.298 4.418 4.120 0.000 0.000 0.293 414 V C -1.036 175.110 176.094 0.087 0.000 1.021 414 V CA -0.728 61.594 62.300 0.036 0.000 0.848 414 V CB 1.477 33.332 31.823 0.053 0.000 0.998 414 V HN 0.803 nan 8.190 nan 0.000 0.424 415 Q N 5.445 125.318 119.800 0.123 0.000 2.310 415 Q HA 0.761 5.102 4.340 0.000 0.000 0.270 415 Q C -1.584 174.520 176.000 0.173 0.000 1.025 415 Q CA -0.769 55.133 55.803 0.164 0.000 0.772 415 Q CB 2.385 31.231 28.738 0.180 0.000 1.253 415 Q HN 0.589 nan 8.270 nan 0.000 0.450 416 L N 1.962 123.295 121.223 0.184 0.000 2.379 416 L HA 0.576 4.916 4.340 0.000 0.000 0.269 416 L C -0.530 176.485 176.870 0.241 0.000 1.084 416 L CA -0.338 54.615 54.840 0.188 0.000 0.802 416 L CB 1.303 43.456 42.059 0.158 0.000 1.175 416 L HN 0.762 nan 8.230 nan 0.000 0.448 417 D N -0.941 119.599 120.400 0.233 0.000 2.934 417 D HA 0.340 4.981 4.640 0.000 0.000 0.230 417 D C -1.494 174.969 176.300 0.273 0.000 1.204 417 D CA -0.468 53.691 54.000 0.264 0.000 0.873 417 D CB 1.443 42.364 40.800 0.201 0.000 1.645 417 D HN 0.500 nan 8.370 nan 0.000 0.502 418 H N 2.242 121.423 119.070 0.184 0.000 2.727 418 H HA 0.498 5.054 4.556 0.000 0.000 0.330 418 H C -1.371 174.045 175.328 0.146 0.000 0.986 418 H CA -0.628 55.508 56.048 0.148 0.000 1.251 418 H CB 0.829 30.668 29.762 0.128 0.000 1.493 418 H HN 0.104 nan 8.280 nan 0.000 0.515 419 K N 5.433 125.674 120.400 -0.265 0.000 2.371 419 K HA 0.479 4.799 4.320 0.000 0.000 0.251 419 K C -1.342 175.127 176.600 -0.217 0.000 0.934 419 K CA -0.911 55.282 56.287 -0.158 0.000 0.798 419 K CB 1.465 33.922 32.500 -0.073 0.000 1.204 419 K HN 0.602 nan 8.250 nan 0.000 0.427 420 I N 2.728 123.239 120.570 -0.097 0.000 2.418 420 I HA 0.267 4.437 4.170 0.000 0.000 0.287 420 I C -0.961 175.117 176.117 -0.064 0.000 1.008 420 I CA -0.685 60.588 61.300 -0.045 0.000 1.104 420 I CB 1.866 39.910 38.000 0.073 0.000 1.264 420 I HN 0.499 nan 8.210 nan 0.000 0.438 421 N N 3.925 122.560 118.700 -0.107 0.000 2.479 421 N HA 0.670 5.410 4.740 0.000 0.000 0.261 421 N C -0.416 174.959 175.510 -0.224 0.000 0.979 421 N CA -0.354 52.592 53.050 -0.174 0.000 0.930 421 N CB 1.908 40.308 38.487 -0.145 0.000 1.172 421 N HN 0.748 nan 8.380 nan 0.000 0.499 422 G N 0.972 109.437 108.800 -0.557 0.000 2.569 422 G HA2 0.652 4.612 3.960 0.000 0.000 0.300 422 G HA3 0.652 4.612 3.960 0.000 0.000 0.300 422 G C -1.742 172.930 174.900 -0.379 0.000 1.269 422 G CA -0.492 44.205 45.100 -0.672 0.000 0.959 422 G HN 0.488 nan 8.290 nan 0.000 0.478 423 Y N -1.689 118.567 120.300 -0.073 0.000 2.544 423 Y HA 0.756 5.306 4.550 0.000 0.000 0.342 423 Y C -1.151 174.911 175.900 0.271 0.000 1.062 423 Y CA -1.610 56.585 58.100 0.158 0.000 1.023 423 Y CB 1.659 40.237 38.460 0.198 0.000 1.308 423 Y HN 0.739 nan 8.280 nan 0.000 0.457 424 H N 2.144 121.365 119.070 0.251 0.000 2.974 424 H HA 0.779 5.335 4.556 0.000 0.000 0.285 424 H C -1.695 173.654 175.328 0.035 0.000 1.227 424 H CA -0.442 55.663 56.048 0.096 0.000 1.569 424 H CB 0.616 30.446 29.762 0.113 0.000 1.648 424 H HN 1.070 nan 8.280 nan 0.000 0.521 425 A N 5.552 128.310 122.820 -0.102 0.000 2.664 425 A HA 0.385 4.705 4.320 0.000 0.000 0.338 425 A C -2.921 174.451 177.584 -0.355 0.000 1.280 425 A CA -1.657 50.205 52.037 -0.291 0.000 0.809 425 A CB 0.151 18.601 19.000 -0.918 0.000 1.114 425 A HN 0.430 nan 8.150 nan 0.000 0.479 426 P HA 0.404 nan 4.420 nan 0.000 0.284 426 P C -0.661 176.748 177.300 0.181 0.000 1.343 426 P CA 0.195 63.189 63.100 -0.177 0.000 0.826 426 P CB 0.623 32.368 31.700 0.076 0.000 0.956 427 L N 2.784 124.065 121.223 0.098 0.000 2.334 427 L HA 0.901 5.241 4.340 0.000 0.000 0.272 427 L C 0.778 177.862 176.870 0.357 0.000 1.020 427 L CA -0.479 54.394 54.840 0.055 0.000 0.812 427 L CB 2.075 43.810 42.059 -0.541 0.000 1.264 427 L HN 0.395 nan 8.230 nan 0.000 0.439 428 G N 1.095 109.957 108.800 0.102 0.000 2.552 428 G HA2 0.686 4.646 3.960 0.000 0.000 0.288 428 G HA3 0.686 4.646 3.960 0.000 0.000 0.288 428 G C -1.686 173.270 174.900 0.093 0.000 1.358 428 G CA 0.017 45.154 45.100 0.060 0.000 1.305 428 G HN 0.816 nan 8.290 nan 0.000 0.602 429 A N 2.069 125.048 122.820 0.265 0.000 2.609 429 A HA 0.808 5.128 4.320 0.000 0.000 0.291 429 A C -0.741 176.906 177.584 0.105 0.000 1.096 429 A CA -0.783 51.378 52.037 0.207 0.000 0.684 429 A CB 1.005 20.178 19.000 0.289 0.000 1.282 429 A HN 0.809 nan 8.150 nan 0.000 0.412 430 I N 2.019 122.566 120.570 -0.039 0.000 2.436 430 I HA 0.345 4.515 4.170 0.000 0.000 0.289 430 I C 0.361 176.535 176.117 0.096 0.000 1.083 430 I CA 0.562 61.823 61.300 -0.065 0.000 1.372 430 I CB 0.143 38.022 38.000 -0.202 0.000 1.408 430 I HN 0.753 nan 8.210 nan 0.000 0.516 431 M N 5.209 124.891 119.600 0.137 0.000 2.550 431 M HA 0.945 5.425 4.480 0.000 0.000 0.292 431 M C -0.262 176.187 176.300 0.247 0.000 1.221 431 M CA -0.416 54.956 55.300 0.120 0.000 0.873 431 M CB 2.580 35.127 32.600 -0.087 0.000 1.727 431 M HN 0.629 nan 8.290 nan 0.000 0.459 432 G N 0.958 109.805 108.800 0.079 0.000 2.462 432 G HA2 -0.050 3.910 3.960 0.000 0.000 0.685 432 G HA3 -0.050 3.910 3.960 0.000 0.000 0.685 432 G C -1.745 172.933 174.900 -0.369 0.000 1.295 432 G CA -0.784 44.241 45.100 -0.125 0.000 0.941 432 G HN 0.872 nan 8.290 nan 0.000 0.554 433 D N 0.901 120.905 120.400 -0.660 0.000 2.455 433 D HA 0.363 5.003 4.640 0.000 0.000 0.234 433 D C -0.265 175.521 176.300 -0.856 0.000 1.224 433 D CA 0.921 54.578 54.000 -0.572 0.000 0.999 433 D CB -0.180 40.355 40.800 -0.441 0.000 1.072 433 D HN 0.362 nan 8.370 nan 0.000 0.514 434 W N 1.839 123.054 121.300 -0.141 0.000 2.975 434 W HA 0.319 4.979 4.660 0.000 0.000 0.342 434 W C -1.935 174.239 176.519 -0.575 0.000 1.168 434 W CA -1.979 55.190 57.345 -0.293 0.000 1.141 434 W CB 1.083 30.403 29.460 -0.235 0.000 1.445 434 W HN 0.029 nan 8.180 nan 0.000 0.560 435 P HA 0.329 nan 4.420 nan 0.000 0.286 435 P C -0.749 176.572 177.300 0.036 0.000 1.293 435 P CA -0.101 62.754 63.100 -0.408 0.000 0.770 435 P CB 0.572 31.848 31.700 -0.707 0.000 1.206 436 A N 0.030 122.930 122.820 0.133 0.000 2.269 436 A HA 0.529 4.849 4.320 0.000 0.000 0.327 436 A C -1.584 176.028 177.584 0.047 0.000 1.112 436 A CA -1.628 50.496 52.037 0.146 0.000 0.865 436 A CB -0.420 18.714 19.000 0.224 0.000 1.227 436 A HN 0.376 nan 8.150 nan 0.000 0.498 437 P HA -0.124 nan 4.420 nan 0.000 0.225 437 P C -0.076 177.242 177.300 0.030 0.000 1.148 437 P CA 1.459 64.571 63.100 0.021 0.000 0.779 437 P CB -0.127 31.582 31.700 0.014 0.000 0.780 438 D N -2.069 118.355 120.400 0.040 0.000 2.427 438 D HA 0.040 4.681 4.640 0.000 0.000 0.224 438 D C 0.528 176.859 176.300 0.052 0.000 1.157 438 D CA -0.861 53.164 54.000 0.041 0.000 0.828 438 D CB -1.143 39.679 40.800 0.037 0.000 0.974 438 D HN -0.112 nan 8.370 nan 0.000 0.498 439 N N -0.158 118.576 118.700 0.057 0.000 2.741 439 N HA -0.221 4.520 4.740 0.000 0.000 0.251 439 N C -0.843 174.730 175.510 0.104 0.000 1.112 439 N CA 1.019 54.123 53.050 0.090 0.000 0.750 439 N CB -1.467 37.089 38.487 0.115 0.000 1.119 439 N HN 0.493 nan 8.380 nan 0.000 0.561 440 S N -1.519 114.209 115.700 0.047 0.000 2.687 440 S HA 0.936 5.406 4.470 0.000 0.000 0.283 440 S C 0.176 174.684 174.600 -0.152 0.000 1.170 440 S CA 0.004 58.194 58.200 -0.018 0.000 1.008 440 S CB 2.592 65.766 63.200 -0.044 0.000 1.026 440 S HN 0.761 nan 8.310 nan 0.000 0.541 441 A N 0.893 123.492 122.820 -0.369 0.000 2.568 441 A HA 0.827 5.147 4.320 0.000 0.000 0.291 441 A C -1.295 175.645 177.584 -1.074 0.000 1.159 441 A CA -1.020 50.472 52.037 -0.907 0.000 0.679 441 A CB 1.211 19.971 19.000 -0.399 0.000 1.285 441 A HN 0.800 nan 8.150 nan 0.000 0.428 442 K N -0.371 119.139 120.400 -1.483 0.000 2.385 442 K HA 0.712 5.032 4.320 0.000 0.000 0.248 442 K C -1.753 174.641 176.600 -0.344 0.000 0.955 442 K CA -0.623 55.240 56.287 -0.707 0.000 0.816 442 K CB 2.158 34.376 32.500 -0.470 0.000 1.250 442 K HN 0.449 nan 8.250 nan 0.000 0.434 443 I N 1.479 121.974 120.570 -0.125 0.000 2.433 443 I HA 0.200 4.370 4.170 0.000 0.000 0.292 443 I C -0.711 175.498 176.117 0.153 0.000 1.001 443 I CA -0.696 60.624 61.300 0.033 0.000 1.119 443 I CB 2.012 40.087 38.000 0.125 0.000 1.289 443 I HN 0.187 nan 8.210 nan 0.000 0.438 444 V N 5.926 125.962 119.914 0.202 0.000 2.364 444 V HA 0.732 4.852 4.120 0.000 0.000 0.272 444 V C 0.167 176.536 176.094 0.459 0.000 1.036 444 V CA -0.486 61.976 62.300 0.270 0.000 0.880 444 V CB 1.098 33.009 31.823 0.147 0.000 0.991 444 V HN 0.815 nan 8.190 nan 0.000 0.460 445 A N 5.540 128.668 122.820 0.513 0.000 2.311 445 A HA 0.824 5.144 4.320 0.000 0.000 0.306 445 A C -0.491 177.505 177.584 0.687 0.000 1.189 445 A CA -0.525 51.904 52.037 0.653 0.000 0.791 445 A CB 1.033 20.423 19.000 0.650 0.000 1.172 445 A HN 0.795 nan 8.150 nan 0.000 0.481 446 Q N 0.606 120.807 119.800 0.667 0.000 2.495 446 Q HA 0.593 4.933 4.340 0.000 0.000 0.287 446 Q C -1.087 174.853 176.000 -0.100 0.000 1.078 446 Q CA -0.856 55.195 55.803 0.414 0.000 0.793 446 Q CB 2.981 31.974 28.738 0.425 0.000 1.459 446 Q HN 0.677 nan 8.270 nan 0.000 0.422 447 K N 1.301 121.381 120.400 -0.534 0.000 2.507 447 K HA 0.458 4.778 4.320 0.000 0.000 0.251 447 K C -1.970 174.222 176.600 -0.680 0.000 0.943 447 K CA -0.412 55.356 56.287 -0.865 0.000 0.794 447 K CB 1.094 32.604 32.500 -1.651 0.000 1.188 447 K HN 0.553 nan 8.250 nan 0.000 0.428 448 Y N 1.871 122.006 120.300 -0.275 0.000 2.332 448 Y HA 0.250 4.800 4.550 0.000 0.000 0.326 448 Y C -0.106 175.815 175.900 0.034 0.000 0.978 448 Y CA -0.675 57.425 58.100 0.001 0.000 1.205 448 Y CB 2.201 40.692 38.460 0.051 0.000 1.131 448 Y HN 0.548 nan 8.280 nan 0.000 0.462 449 T N -0.017 114.558 114.554 0.035 0.000 2.876 449 T HA 0.975 5.325 4.350 0.000 0.000 0.289 449 T C -0.081 174.292 174.700 -0.545 0.000 1.014 449 T CA -0.696 61.218 62.100 -0.310 0.000 0.986 449 T CB 2.102 70.790 68.868 -0.301 0.000 1.021 449 T HN 0.931 nan 8.240 nan 0.000 0.458 450 G N 0.498 108.637 108.800 -1.102 0.000 2.495 450 G HA2 0.590 4.550 3.960 0.000 0.000 0.294 450 G HA3 0.590 4.550 3.960 0.000 0.000 0.294 450 G C -2.120 172.516 174.900 -0.441 0.000 1.397 450 G CA -0.829 43.848 45.100 -0.705 0.000 0.790 450 G HN 0.909 nan 8.290 nan 0.000 0.486 451 E N -1.133 119.051 120.200 -0.026 0.000 2.378 451 E HA 0.560 4.910 4.350 0.000 0.000 0.283 451 E C -1.585 175.101 176.600 0.144 0.000 0.979 451 E CA -0.587 55.838 56.400 0.042 0.000 0.795 451 E CB 2.142 31.879 29.700 0.061 0.000 1.221 451 E HN 0.455 nan 8.360 nan 0.000 0.428 452 T N 3.356 117.955 114.554 0.075 0.000 2.809 452 T HA 0.424 4.774 4.350 0.000 0.000 0.284 452 T C -0.754 173.966 174.700 0.033 0.000 0.992 452 T CA -0.781 61.363 62.100 0.074 0.000 0.957 452 T CB 1.146 70.002 68.868 -0.019 0.000 0.942 452 T HN 0.210 nan 8.240 nan 0.000 0.439 453 K N 1.973 122.412 120.400 0.067 0.000 2.307 453 K HA 0.607 4.927 4.320 0.000 0.000 0.263 453 K C -0.604 176.029 176.600 0.056 0.000 0.973 453 K CA -0.567 55.739 56.287 0.033 0.000 0.846 453 K CB 1.652 34.217 32.500 0.109 0.000 1.100 453 K HN 0.496 nan 8.250 nan 0.000 0.438 454 S N 3.253 118.930 115.700 -0.037 0.000 2.659 454 S HA 0.345 4.815 4.470 0.000 0.000 0.312 454 S C -1.160 173.470 174.600 0.051 0.000 1.114 454 S CA -0.879 57.343 58.200 0.036 0.000 1.063 454 S CB 0.435 63.648 63.200 0.022 0.000 0.996 454 S HN 0.502 nan 8.310 nan 0.000 0.478 455 N N 2.763 121.561 118.700 0.165 0.000 2.408 455 N HA 0.434 5.174 4.740 0.000 0.000 0.280 455 N C -1.231 174.413 175.510 0.224 0.000 1.002 455 N CA -0.306 52.876 53.050 0.221 0.000 0.907 455 N CB 1.950 40.590 38.487 0.256 0.000 1.161 455 N HN 0.431 nan 8.380 nan 0.000 0.488 456 S N 1.590 117.409 115.700 0.198 0.000 2.521 456 S HA 0.530 5.000 4.470 0.000 0.000 0.295 456 S C -0.808 173.903 174.600 0.184 0.000 1.098 456 S CA -0.654 57.657 58.200 0.184 0.000 0.999 456 S CB 1.793 65.083 63.200 0.149 0.000 1.034 456 S HN 0.451 nan 8.310 nan 0.000 0.483 457 L N 2.843 124.176 121.223 0.183 0.000 2.356 457 L HA 0.776 5.116 4.340 0.000 0.000 0.277 457 L C -1.522 175.450 176.870 0.170 0.000 0.996 457 L CA -0.047 54.894 54.840 0.168 0.000 0.822 457 L CB 1.631 43.785 42.059 0.157 0.000 1.256 457 L HN 0.574 nan 8.230 nan 0.000 0.413 458 D N 5.147 125.652 120.400 0.176 0.000 2.936 458 D HA 0.486 5.126 4.640 0.000 0.000 0.238 458 D C -1.372 175.053 176.300 0.209 0.000 1.248 458 D CA -0.163 53.966 54.000 0.214 0.000 0.903 458 D CB 1.970 42.914 40.800 0.241 0.000 1.544 458 D HN 0.665 nan 8.370 nan 0.000 0.543 459 I N 1.010 121.703 120.570 0.205 0.000 2.582 459 I HA 0.745 4.915 4.170 0.000 0.000 0.292 459 I C -1.703 174.532 176.117 0.196 0.000 1.066 459 I CA -0.989 60.392 61.300 0.134 0.000 1.053 459 I CB 2.034 40.075 38.000 0.070 0.000 1.241 459 I HN 0.252 nan 8.210 nan 0.000 0.421 460 Y N 4.174 124.544 120.300 0.116 0.000 2.571 460 Y HA 0.845 5.395 4.550 0.000 0.000 0.341 460 Y C -2.158 173.827 175.900 0.142 0.000 1.076 460 Y CA -1.488 56.673 58.100 0.101 0.000 1.029 460 Y CB 1.488 40.059 38.460 0.185 0.000 1.308 460 Y HN 0.592 nan 8.280 nan 0.000 0.461 461 L N 2.883 124.301 121.223 0.325 0.000 2.365 461 L HA 0.819 5.159 4.340 0.000 0.000 0.273 461 L C -0.443 176.745 176.870 0.530 0.000 1.000 461 L CA -0.818 54.242 54.840 0.367 0.000 0.819 461 L CB 2.440 44.624 42.059 0.209 0.000 1.284 461 L HN 0.917 nan 8.230 nan 0.000 0.418 462 T N 1.217 116.074 114.554 0.505 0.000 3.032 462 T HA 0.823 5.173 4.350 0.000 0.000 0.312 462 T C -0.618 173.762 174.700 -0.534 0.000 1.078 462 T CA -0.111 62.083 62.100 0.157 0.000 1.028 462 T CB 1.500 70.471 68.868 0.171 0.000 1.091 462 T HN 0.928 nan 8.240 nan 0.000 0.457 463 G N 4.137 112.235 108.800 -1.171 0.000 2.488 463 G HA2 0.719 4.679 3.960 0.000 0.000 0.301 463 G HA3 0.719 4.679 3.960 0.000 0.000 0.301 463 G C -3.496 170.671 174.900 -1.223 0.000 1.339 463 G CA -0.912 43.180 45.100 -1.679 0.000 0.803 463 G HN 0.625 nan 8.290 nan 0.000 0.482 464 P HA 0.716 nan 4.420 nan 0.000 0.285 464 P C -1.238 176.070 177.300 0.014 0.000 1.269 464 P CA -0.678 62.228 63.100 -0.324 0.000 0.844 464 P CB 1.177 32.756 31.700 -0.201 0.000 1.094 465 F N -1.638 118.322 119.950 0.016 0.000 2.654 465 F HA 0.626 5.153 4.527 0.000 0.000 0.308 465 F C -1.118 174.796 175.800 0.190 0.000 1.108 465 F CA -1.271 56.835 58.000 0.176 0.000 0.957 465 F CB 1.261 40.419 39.000 0.264 0.000 1.309 465 F HN 0.356 nan 8.300 nan 0.000 0.446 466 Q N 1.832 121.835 119.800 0.339 0.000 2.215 466 Q HA 0.632 4.972 4.340 0.000 0.000 0.256 466 Q C -1.390 174.935 176.000 0.540 0.000 0.972 466 Q CA -0.558 55.383 55.803 0.230 0.000 0.889 466 Q CB 2.671 31.495 28.738 0.144 0.000 1.281 466 Q HN 0.848 nan 8.270 nan 0.000 0.456 467 F N 1.099 121.226 119.950 0.296 0.000 1.901 467 F HA 0.385 4.912 4.527 0.000 0.000 0.239 467 F C -0.276 175.640 175.800 0.194 0.000 1.133 467 F CA -0.225 57.971 58.000 0.327 0.000 1.271 467 F CB 0.794 40.059 39.000 0.441 0.000 1.652 467 F HN 0.514 nan 8.300 nan 0.000 0.543 468 L N 1.147 122.308 121.223 -0.104 0.000 3.100 468 L HA 0.420 4.760 4.340 0.000 0.000 0.259 468 L C 0.621 177.444 176.870 -0.079 0.000 1.316 468 L CA 0.252 54.938 54.840 -0.258 0.000 0.992 468 L CB 0.434 42.306 42.059 -0.312 0.000 1.390 468 L HN 0.626 nan 8.230 nan 0.000 0.550 469 G N 0.216 108.993 108.800 -0.039 0.000 2.176 469 G HA2 -0.230 3.731 3.960 0.000 0.000 0.252 469 G HA3 -0.230 3.731 3.960 0.000 0.000 0.252 469 G C 0.115 174.980 174.900 -0.058 0.000 1.024 469 G CA -0.160 44.926 45.100 -0.023 0.000 0.755 469 G HN 0.303 nan 8.290 nan 0.000 0.507 470 R N -0.134 120.300 120.500 -0.109 0.000 2.750 470 R HA 0.466 4.806 4.340 0.000 0.000 0.281 470 R C -0.620 175.343 176.300 -0.562 0.000 0.972 470 R CA -0.842 55.086 56.100 -0.285 0.000 0.912 470 R CB 1.582 31.761 30.300 -0.201 0.000 1.187 470 R HN 0.375 nan 8.270 nan 0.000 0.464 471 E N 3.247 123.101 120.200 -0.577 0.000 2.115 471 E HA 0.176 4.526 4.350 0.000 0.000 0.282 471 E C -0.674 175.474 176.600 -0.753 0.000 0.987 471 E CA -0.307 55.755 56.400 -0.563 0.000 0.797 471 E CB 0.559 30.069 29.700 -0.318 0.000 1.086 471 E HN 0.440 nan 8.360 nan 0.000 0.397 472 H N 2.078 120.839 119.070 -0.515 0.000 2.754 472 H HA 0.405 4.961 4.556 0.000 0.000 0.352 472 H C -0.170 174.755 175.328 -0.673 0.000 1.213 472 H CA -0.857 54.768 56.048 -0.705 0.000 1.244 472 H CB 1.548 30.619 29.762 -1.153 0.000 1.843 472 H HN 0.521 nan 8.280 nan 0.000 0.587 473 E N 1.110 121.112 120.200 -0.330 0.000 2.314 473 E HA 0.453 4.803 4.350 0.000 0.000 0.272 473 E C -1.434 175.188 176.600 0.037 0.000 0.884 473 E CA -1.030 55.274 56.400 -0.160 0.000 0.753 473 E CB 2.821 32.410 29.700 -0.186 0.000 1.213 473 E HN 0.325 nan 8.360 nan 0.000 0.432 474 L N 1.158 122.459 121.223 0.131 0.000 2.333 474 L HA 0.674 5.014 4.340 0.000 0.000 0.263 474 L C -1.539 175.403 176.870 0.120 0.000 1.014 474 L CA -0.852 54.093 54.840 0.175 0.000 0.820 474 L CB 2.238 44.448 42.059 0.252 0.000 1.352 474 L HN 0.475 nan 8.230 nan 0.000 0.421 475 V N 3.637 123.629 119.914 0.129 0.000 2.577 475 V HA 0.637 4.757 4.120 0.000 0.000 0.303 475 V C -1.135 175.043 176.094 0.141 0.000 1.042 475 V CA -0.659 61.737 62.300 0.160 0.000 0.872 475 V CB 1.896 33.792 31.823 0.121 0.000 0.998 475 V HN 0.583 nan 8.190 nan 0.000 0.423 476 V N 4.474 124.466 119.914 0.130 0.000 2.525 476 V HA 1.012 5.132 4.120 0.000 0.000 0.299 476 V C 0.001 176.006 176.094 -0.149 0.000 1.034 476 V CA 0.597 62.885 62.300 -0.019 0.000 0.863 476 V CB 1.472 33.297 31.823 0.003 0.000 0.999 476 V HN 1.059 nan 8.190 nan 0.000 0.423 477 G N 3.183 111.620 108.800 -0.605 0.000 2.708 477 G HA2 0.738 4.698 3.960 0.000 0.000 0.289 477 G HA3 0.738 4.698 3.960 0.000 0.000 0.289 477 G C -0.979 173.434 174.900 -0.812 0.000 1.416 477 G CA -0.146 44.478 45.100 -0.793 0.000 0.829 477 G HN 1.062 nan 8.290 nan 0.000 0.480 478 T N -1.529 112.843 114.554 -0.304 0.000 2.982 478 T HA 0.690 5.040 4.350 0.000 0.000 0.321 478 T C -0.626 174.171 174.700 0.162 0.000 1.229 478 T CA 0.195 62.278 62.100 -0.029 0.000 1.044 478 T CB 1.364 70.226 68.868 -0.010 0.000 1.184 478 T HN 1.668 nan 8.240 nan 0.000 0.477 479 S N 2.342 118.170 115.700 0.213 0.000 2.595 479 S HA 0.963 5.433 4.470 0.000 0.000 0.281 479 S C -0.833 173.857 174.600 0.149 0.000 1.117 479 S CA -0.559 57.763 58.200 0.203 0.000 0.873 479 S CB 1.767 65.107 63.200 0.232 0.000 1.108 479 S HN 1.495 nan 8.310 nan 0.000 0.477 480 A N 0.675 123.582 122.820 0.146 0.000 2.515 480 A HA 0.896 5.216 4.320 0.000 0.000 0.298 480 A C -0.657 177.004 177.584 0.129 0.000 1.059 480 A CA -0.697 51.416 52.037 0.128 0.000 0.698 480 A CB 1.791 20.921 19.000 0.216 0.000 1.289 480 A HN 1.265 nan 8.150 nan 0.000 0.404 481 S N 0.410 116.110 115.700 0.000 0.000 2.614 481 S HA 0.749 5.219 4.470 0.000 0.000 0.275 481 S C -1.951 172.539 174.600 -0.183 0.000 1.161 481 S CA -0.292 57.920 58.200 0.020 0.000 0.969 481 S CB 0.351 63.550 63.200 -0.001 0.000 1.059 481 S HN 0.547 nan 8.310 nan 0.000 0.482 482 F N 3.276 123.251 119.950 0.043 0.000 2.445 482 F HA 0.532 5.059 4.527 0.000 0.000 0.348 482 F C 0.531 176.368 175.800 0.060 0.000 1.125 482 F CA -0.380 57.643 58.000 0.038 0.000 0.983 482 F CB 1.985 41.011 39.000 0.042 0.000 1.198 482 F HN 0.524 nan 8.300 nan 0.000 0.436 483 S N 1.522 117.322 115.700 0.168 0.000 2.599 483 S HA 0.740 5.211 4.470 0.000 0.000 0.294 483 S C -1.662 173.091 174.600 0.254 0.000 1.094 483 S CA -0.744 57.562 58.200 0.177 0.000 0.931 483 S CB 2.349 65.615 63.200 0.109 0.000 1.093 483 S HN 0.631 nan 8.310 nan 0.000 0.488 484 H N 0.208 119.363 119.070 0.141 0.000 3.096 484 H HA 0.478 5.034 4.556 0.000 0.000 0.335 484 H C -2.329 173.137 175.328 0.230 0.000 0.990 484 H CA -0.804 55.340 56.048 0.160 0.000 1.393 484 H CB 0.792 30.632 29.762 0.130 0.000 1.742 484 H HN 0.799 nan 8.280 nan 0.000 0.501 485 W N 6.504 127.787 121.300 -0.028 0.000 2.318 485 W HA 0.495 5.155 4.660 0.000 0.000 0.315 485 W C -1.145 175.253 176.519 -0.201 0.000 1.033 485 W CA -0.789 56.492 57.345 -0.107 0.000 1.275 485 W CB 0.729 30.185 29.460 -0.007 0.000 1.250 485 W HN 0.644 nan 8.180 nan 0.000 0.421 486 E N 3.323 123.422 120.200 -0.169 0.000 2.195 486 E HA 0.742 5.092 4.350 0.000 0.000 0.271 486 E C -0.213 176.254 176.600 -0.222 0.000 0.923 486 E CA -0.844 55.379 56.400 -0.296 0.000 0.790 486 E CB 2.007 31.565 29.700 -0.236 0.000 1.155 486 E HN 0.584 nan 8.360 nan 0.000 0.402 487 G N 1.959 110.583 108.800 -0.294 0.000 2.742 487 G HA2 0.432 4.392 3.960 0.000 0.000 0.296 487 G HA3 0.432 4.392 3.960 0.000 0.000 0.296 487 G C -1.299 173.482 174.900 -0.198 0.000 1.436 487 G CA -0.688 44.297 45.100 -0.191 0.000 0.928 487 G HN 0.254 nan 8.290 nan 0.000 0.520 488 K N 0.440 120.719 120.400 -0.201 0.000 2.207 488 K HA 0.750 5.071 4.320 0.000 0.000 0.255 488 K C -0.760 175.636 176.600 -0.340 0.000 0.941 488 K CA -0.686 55.347 56.287 -0.424 0.000 0.825 488 K CB 2.167 34.382 32.500 -0.475 0.000 1.119 488 K HN 0.406 nan 8.250 nan 0.000 0.430 489 S N 1.785 117.138 115.700 -0.578 0.000 2.614 489 S HA 0.410 4.880 4.470 0.000 0.000 0.288 489 S C -1.544 172.600 174.600 -0.760 0.000 1.137 489 S CA -0.797 57.124 58.200 -0.465 0.000 0.992 489 S CB 0.472 63.653 63.200 -0.033 0.000 1.026 489 S HN 0.371 nan 8.310 nan 0.000 0.486 490 Y N 1.963 121.969 120.300 -0.490 0.000 2.328 490 Y HA 0.476 5.027 4.550 0.000 0.000 0.336 490 Y C 0.309 176.155 175.900 -0.090 0.000 0.960 490 Y CA -1.005 56.887 58.100 -0.347 0.000 1.134 490 Y CB 0.892 39.214 38.460 -0.230 0.000 1.166 490 Y HN 0.981 nan 8.280 nan 0.000 0.464 491 W N 0.393 121.731 121.300 0.063 0.000 2.079 491 W HA 0.367 5.027 4.660 0.000 0.000 0.285 491 W C -0.677 175.917 176.519 0.125 0.000 0.891 491 W CA -0.438 56.977 57.345 0.117 0.000 1.308 491 W CB 0.028 29.542 29.460 0.090 0.000 1.047 491 W HN 0.182 nan 8.180 nan 0.000 0.522 492 N N 3.074 121.780 118.700 0.011 0.000 3.254 492 N HA 0.157 4.897 4.740 0.000 0.000 0.308 492 N C -0.124 175.447 175.510 0.102 0.000 1.281 492 N CA 0.211 53.293 53.050 0.053 0.000 1.212 492 N CB -0.097 38.339 38.487 -0.084 0.000 1.478 492 N HN 0.192 nan 8.380 nan 0.000 0.548 493 L N 0.807 122.127 121.223 0.161 0.000 2.485 493 L HA 0.074 4.414 4.340 0.000 0.000 0.275 493 L C 1.315 178.226 176.870 0.070 0.000 1.207 493 L CA 0.139 55.045 54.840 0.110 0.000 0.855 493 L CB 0.522 42.667 42.059 0.144 0.000 1.114 493 L HN 0.026 nan 8.230 nan 0.000 0.485 494 R N 3.551 124.058 120.500 0.013 0.000 3.688 494 R HA 0.055 4.395 4.340 0.000 0.000 0.194 494 R C -0.283 176.037 176.300 0.034 0.000 1.677 494 R CA -0.214 55.892 56.100 0.010 0.000 1.351 494 R CB -0.756 29.529 30.300 -0.026 0.000 1.338 494 R HN 0.610 nan 8.270 nan 0.000 0.731 495 N N 2.340 121.085 118.700 0.076 0.000 2.726 495 N HA -0.268 4.472 4.740 0.000 0.000 0.307 495 N C -0.808 174.785 175.510 0.137 0.000 1.207 495 N CA 1.282 54.390 53.050 0.098 0.000 0.728 495 N CB -0.270 38.253 38.487 0.060 0.000 1.017 495 N HN 0.438 nan 8.380 nan 0.000 0.559 496 Y N 0.314 120.595 120.300 -0.031 0.000 2.659 496 Y HA 0.486 5.036 4.550 0.000 0.000 0.333 496 Y C -0.427 175.468 175.900 -0.009 0.000 1.064 496 Y CA -1.593 56.482 58.100 -0.041 0.000 1.141 496 Y CB 0.912 39.318 38.460 -0.090 0.000 1.316 496 Y HN 0.129 nan 8.280 nan 0.000 0.509 497 D N 1.531 121.634 120.400 -0.495 0.000 2.339 497 D HA 0.098 4.738 4.640 0.000 0.000 0.256 497 D C -0.114 175.725 176.300 -0.769 0.000 1.214 497 D CA 0.309 54.027 54.000 -0.471 0.000 0.877 497 D CB 0.746 41.406 40.800 -0.233 0.000 1.111 497 D HN 0.716 nan 8.370 nan 0.000 0.478 498 N N 0.754 119.179 118.700 -0.457 0.000 2.300 498 N HA -0.074 4.666 4.740 0.000 0.000 0.179 498 N C 0.485 175.867 175.510 -0.213 0.000 1.016 498 N CA 0.594 53.455 53.050 -0.315 0.000 0.876 498 N CB -0.071 38.330 38.487 -0.143 0.000 0.979 498 N HN 0.476 nan 8.380 nan 0.000 0.432 499 T N -2.144 112.293 114.554 -0.195 0.000 2.898 499 T HA 0.305 4.655 4.350 0.000 0.000 0.301 499 T C 0.346 174.999 174.700 -0.078 0.000 1.049 499 T CA -0.600 61.397 62.100 -0.172 0.000 1.095 499 T CB 1.568 70.346 68.868 -0.149 0.000 0.976 499 T HN -0.001 nan 8.240 nan 0.000 0.539 500 T N 0.239 114.762 114.554 -0.053 0.000 2.887 500 T HA 0.297 4.647 4.350 0.000 0.000 0.288 500 T C 0.654 175.387 174.700 0.054 0.000 1.021 500 T CA -0.818 61.331 62.100 0.081 0.000 1.000 500 T CB 1.381 70.424 68.868 0.291 0.000 1.034 500 T HN 0.622 nan 8.240 nan 0.000 0.467 501 D N 1.661 122.111 120.400 0.083 0.000 2.084 501 D HA -0.026 4.614 4.640 0.000 0.000 0.194 501 D C 0.177 176.545 176.300 0.113 0.000 0.990 501 D CA 1.281 55.324 54.000 0.073 0.000 0.826 501 D CB 0.243 41.082 40.800 0.064 0.000 0.971 501 D HN 0.546 nan 8.370 nan 0.000 0.453 502 D N -1.311 119.193 120.400 0.173 0.000 2.344 502 D HA 0.087 4.727 4.640 0.000 0.000 0.239 502 D C -0.086 176.411 176.300 0.329 0.000 1.064 502 D CA -0.588 53.541 54.000 0.215 0.000 0.829 502 D CB 1.553 42.456 40.800 0.173 0.000 1.129 502 D HN -0.145 nan 8.370 nan 0.000 0.506 503 F N 3.629 123.676 119.950 0.162 0.000 2.274 503 F HA 0.159 4.686 4.527 0.000 0.000 0.288 503 F C 1.844 177.819 175.800 0.292 0.000 1.069 503 F CA 0.507 58.620 58.000 0.189 0.000 1.343 503 F CB 0.073 39.122 39.000 0.082 0.000 1.089 503 F HN 0.382 nan 8.300 nan 0.000 0.517 504 I N 0.899 121.651 120.570 0.303 0.000 2.163 504 I HA -0.322 3.848 4.170 0.000 0.000 0.243 504 I C 0.860 177.088 176.117 0.185 0.000 1.085 504 I CA 1.455 62.869 61.300 0.190 0.000 1.347 504 I CB -0.457 37.651 38.000 0.180 0.000 1.044 504 I HN 0.179 nan 8.210 nan 0.000 0.408 505 N N 0.161 118.975 118.700 0.190 0.000 2.376 505 N HA -0.018 4.722 4.740 0.000 0.000 0.249 505 N C -0.350 175.253 175.510 0.155 0.000 1.140 505 N CA -0.128 53.012 53.050 0.150 0.000 0.870 505 N CB 0.146 38.693 38.487 0.100 0.000 1.124 505 N HN 0.390 nan 8.380 nan 0.000 0.505 506 W N 2.196 123.498 121.300 0.004 0.000 2.489 506 W HA -0.010 4.650 4.660 0.000 0.000 0.327 506 W C -0.262 176.176 176.519 -0.135 0.000 1.436 506 W CA 0.422 57.720 57.345 -0.080 0.000 1.315 506 W CB 0.556 29.943 29.460 -0.122 0.000 1.373 506 W HN 0.061 nan 8.180 nan 0.000 0.557 507 D N 3.411 123.427 120.400 -0.641 0.000 2.462 507 D HA 0.176 4.816 4.640 0.000 0.000 0.221 507 D C 1.507 176.953 176.300 -1.423 0.000 1.173 507 D CA 0.533 54.132 54.000 -0.668 0.000 0.831 507 D CB -0.061 40.537 40.800 -0.337 0.000 1.001 507 D HN 0.711 nan 8.370 nan 0.000 0.499 508 G N 1.245 108.682 108.800 -2.273 0.000 2.136 508 G HA2 -0.238 3.722 3.960 0.000 0.000 0.242 508 G HA3 -0.238 3.722 3.960 0.000 0.000 0.242 508 G C 0.012 174.131 174.900 -1.302 0.000 0.989 508 G CA 0.049 43.897 45.100 -2.087 0.000 0.682 508 G HN 0.388 nan 8.290 nan 0.000 0.522 509 D N 0.478 120.199 120.400 -1.132 0.000 2.393 509 D HA 0.607 5.247 4.640 0.000 0.000 0.232 509 D C 0.164 176.304 176.300 -0.266 0.000 1.192 509 D CA 0.084 53.779 54.000 -0.507 0.000 0.882 509 D CB 0.295 40.891 40.800 -0.339 0.000 1.038 509 D HN 0.419 nan 8.370 nan 0.000 0.499 510 I N 1.490 122.037 120.570 -0.038 0.000 2.918 510 I HA 0.402 4.572 4.170 0.000 0.000 0.301 510 I C 0.223 176.592 176.117 0.421 0.000 1.312 510 I CA -0.858 60.571 61.300 0.216 0.000 1.007 510 I CB 2.032 40.245 38.000 0.355 0.000 1.281 510 I HN 0.341 nan 8.210 nan 0.000 0.440 511 G N 3.489 112.513 108.800 0.373 0.000 2.614 511 G HA2 0.159 4.119 3.960 0.000 0.000 0.239 511 G HA3 0.159 4.119 3.960 0.000 0.000 0.239 511 G C -0.772 174.217 174.900 0.148 0.000 1.240 511 G CA -0.307 44.949 45.100 0.260 0.000 0.842 511 G HN 0.652 nan 8.290 nan 0.000 0.584 512 K N 1.594 121.720 120.400 -0.456 0.000 2.211 512 K HA 0.375 4.695 4.320 0.000 0.000 0.275 512 K C -1.930 174.011 176.600 -1.098 0.000 1.024 512 K CA -1.503 54.024 56.287 -1.267 0.000 0.887 512 K CB 1.336 33.006 32.500 -1.384 0.000 1.084 512 K HN 0.330 nan 8.250 nan 0.000 0.463 513 P HA 0.096 nan 4.420 nan 0.000 0.278 513 P C -1.088 175.491 177.300 -1.201 0.000 1.266 513 P CA -0.471 61.748 63.100 -1.469 0.000 0.807 513 P CB 0.654 31.251 31.700 -1.838 0.000 1.094 514 D N 0.160 120.101 120.400 -0.764 0.000 2.325 514 D HA 0.020 4.660 4.640 0.000 0.000 0.251 514 D C 0.409 176.413 176.300 -0.495 0.000 1.196 514 D CA -0.173 53.510 54.000 -0.529 0.000 0.866 514 D CB 0.341 40.975 40.800 -0.277 0.000 1.101 514 D HN 0.304 nan 8.370 nan 0.000 0.476 515 W N 3.603 124.725 121.300 -0.297 0.000 2.519 515 W HA 0.079 4.739 4.660 0.000 0.000 0.266 515 W C 1.800 178.233 176.519 -0.144 0.000 1.253 515 W CA 0.460 57.624 57.345 -0.303 0.000 1.274 515 W CB -0.039 29.058 29.460 -0.605 0.000 1.114 515 W HN 0.725 nan 8.180 nan 0.000 0.596 516 G N 0.390 109.228 108.800 0.064 0.000 2.645 516 G HA2 -0.284 3.676 3.960 0.000 0.000 0.239 516 G HA3 -0.284 3.676 3.960 0.000 0.000 0.239 516 G C 0.154 175.165 174.900 0.185 0.000 1.331 516 G CA -0.138 45.014 45.100 0.085 0.000 0.890 516 G HN 0.242 nan 8.290 nan 0.000 0.572 517 T N -0.203 114.426 114.554 0.124 0.000 2.904 517 T HA 0.597 4.947 4.350 0.000 0.000 0.290 517 T C -2.290 172.387 174.700 -0.038 0.000 1.018 517 T CA -0.764 61.393 62.100 0.094 0.000 1.075 517 T CB 1.493 70.372 68.868 0.018 0.000 0.986 517 T HN 0.550 nan 8.240 nan 0.000 0.523 518 P HA 0.155 nan 4.420 nan 0.000 0.265 518 P C 0.298 177.194 177.300 -0.673 0.000 1.187 518 P CA -0.068 62.477 63.100 -0.926 0.000 0.766 518 P CB 0.489 31.497 31.700 -1.154 0.000 0.820 519 S N 0.883 116.067 115.700 -0.860 0.000 2.398 519 S HA -0.024 4.446 4.470 0.000 0.000 0.220 519 S C 0.601 174.769 174.600 -0.720 0.000 1.046 519 S CA 0.568 58.218 58.200 -0.918 0.000 0.953 519 S CB -0.082 62.036 63.200 -1.803 0.000 0.856 519 S HN 0.604 nan 8.310 nan 0.000 0.506 520 Q N -0.593 118.769 119.800 -0.729 0.000 2.356 520 Q HA 0.483 4.823 4.340 0.000 0.000 0.270 520 Q C -2.046 173.713 176.000 -0.402 0.000 1.058 520 Q CA -0.673 54.923 55.803 -0.346 0.000 0.802 520 Q CB 1.084 29.777 28.738 -0.075 0.000 1.303 520 Q HN 0.273 nan 8.270 nan 0.000 0.444 521 Y N 2.430 122.620 120.300 -0.184 0.000 2.420 521 Y HA 0.561 5.111 4.550 0.000 0.000 0.334 521 Y C -0.280 175.508 175.900 -0.187 0.000 1.094 521 Y CA -0.602 57.383 58.100 -0.191 0.000 1.126 521 Y CB 1.525 39.886 38.460 -0.165 0.000 1.217 521 Y HN 0.515 nan 8.280 nan 0.000 0.462 522 I N 2.805 123.304 120.570 -0.118 0.000 2.465 522 I HA 0.294 4.464 4.170 0.000 0.000 0.291 522 I C -1.079 174.856 176.117 -0.302 0.000 1.014 522 I CA -0.578 60.532 61.300 -0.316 0.000 1.093 522 I CB 1.860 39.422 38.000 -0.731 0.000 1.267 522 I HN 0.530 nan 8.210 nan 0.000 0.431 523 D N 5.369 125.643 120.400 -0.210 0.000 2.328 523 D HA 0.248 4.888 4.640 0.000 0.000 0.243 523 D C -1.635 174.685 176.300 0.034 0.000 1.324 523 D CA -0.314 53.644 54.000 -0.070 0.000 0.966 523 D CB 1.242 42.053 40.800 0.019 0.000 1.324 523 D HN 0.381 nan 8.370 nan 0.000 0.549 524 D N 2.285 122.726 120.400 0.069 0.000 2.492 524 D HA 0.312 4.952 4.640 0.000 0.000 0.248 524 D C -0.249 176.248 176.300 0.328 0.000 1.101 524 D CA -0.236 53.861 54.000 0.162 0.000 0.840 524 D CB 1.664 42.552 40.800 0.146 0.000 1.209 524 D HN 0.078 nan 8.370 nan 0.000 0.524 525 K N 1.250 121.758 120.400 0.180 0.000 2.206 525 K HA 0.629 4.949 4.320 0.000 0.000 0.264 525 K C -0.662 175.962 176.600 0.040 0.000 0.967 525 K CA -0.657 55.691 56.287 0.103 0.000 0.844 525 K CB 1.804 34.272 32.500 -0.053 0.000 1.099 525 K HN 0.232 nan 8.250 nan 0.000 0.441 526 T N 2.380 116.940 114.554 0.012 0.000 2.881 526 T HA 0.275 4.625 4.350 0.000 0.000 0.291 526 T C -0.691 173.862 174.700 -0.246 0.000 0.990 526 T CA -0.794 61.226 62.100 -0.133 0.000 0.976 526 T CB 1.377 70.166 68.868 -0.131 0.000 0.970 526 T HN 0.394 nan 8.240 nan 0.000 0.438 527 R N 2.557 122.834 120.500 -0.371 0.000 2.407 527 R HA 0.424 4.764 4.340 0.000 0.000 0.303 527 R C -1.114 174.889 176.300 -0.496 0.000 0.981 527 R CA -0.550 55.202 56.100 -0.580 0.000 0.905 527 R CB 1.074 31.028 30.300 -0.577 0.000 1.099 527 R HN 0.542 nan 8.270 nan 0.000 0.459 528 Q N 5.193 124.731 119.800 -0.437 0.000 2.275 528 Q HA 0.336 4.676 4.340 0.000 0.000 0.266 528 Q C -1.429 174.495 176.000 -0.127 0.000 1.002 528 Q CA -0.559 55.103 55.803 -0.234 0.000 0.761 528 Q CB 1.733 30.382 28.738 -0.149 0.000 1.255 528 Q HN 0.623 nan 8.270 nan 0.000 0.446 529 L N 1.255 122.454 121.223 -0.041 0.000 2.334 529 L HA 0.906 5.246 4.340 0.000 0.000 0.273 529 L C 0.381 177.306 176.870 0.092 0.000 1.013 529 L CA -0.898 53.958 54.840 0.027 0.000 0.816 529 L CB 2.201 44.278 42.059 0.030 0.000 1.278 529 L HN 0.679 nan 8.230 nan 0.000 0.431 530 G N -0.042 108.832 108.800 0.123 0.000 2.733 530 G HA2 0.541 4.501 3.960 0.000 0.000 0.297 530 G HA3 0.541 4.501 3.960 0.000 0.000 0.297 530 G C -1.833 173.187 174.900 0.200 0.000 1.422 530 G CA -0.314 44.891 45.100 0.176 0.000 0.942 530 G HN 0.391 nan 8.290 nan 0.000 0.510 531 S N 0.109 115.941 115.700 0.220 0.000 2.668 531 S HA 0.752 5.222 4.470 0.000 0.000 0.277 531 S C -1.371 173.355 174.600 0.210 0.000 1.170 531 S CA -0.728 57.555 58.200 0.138 0.000 0.994 531 S CB 0.550 63.799 63.200 0.082 0.000 1.051 531 S HN 1.171 nan 8.310 nan 0.000 0.484 532 Y N 1.655 121.998 120.300 0.072 0.000 2.562 532 Y HA 0.846 5.396 4.550 0.000 0.000 0.345 532 Y C -0.816 175.122 175.900 0.063 0.000 1.045 532 Y CA -1.306 56.831 58.100 0.061 0.000 1.028 532 Y CB 1.426 39.899 38.460 0.021 0.000 1.297 532 Y HN 0.607 nan 8.280 nan 0.000 0.463 533 M N 2.372 122.100 119.600 0.213 0.000 2.371 533 M HA 0.652 5.133 4.480 0.000 0.000 0.287 533 M C -1.986 174.413 176.300 0.165 0.000 1.149 533 M CA -0.178 55.206 55.300 0.140 0.000 0.929 533 M CB 2.560 35.213 32.600 0.089 0.000 1.683 533 M HN 0.957 nan 8.290 nan 0.000 0.470 534 T N 2.680 117.314 114.554 0.135 0.000 2.952 534 T HA 0.824 5.174 4.350 0.000 0.000 0.305 534 T C -1.341 173.399 174.700 0.066 0.000 1.064 534 T CA -0.670 61.504 62.100 0.122 0.000 1.008 534 T CB 1.765 70.684 68.868 0.085 0.000 1.078 534 T HN 0.714 nan 8.240 nan 0.000 0.459 535 A N 2.547 125.374 122.820 0.013 0.000 2.374 535 A HA 0.876 5.196 4.320 0.000 0.000 0.317 535 A C -0.502 176.861 177.584 -0.369 0.000 1.094 535 A CA -0.904 51.005 52.037 -0.214 0.000 0.765 535 A CB 1.407 20.138 19.000 -0.450 0.000 1.268 535 A HN 0.755 nan 8.150 nan 0.000 0.438 536 R N 2.112 122.306 120.500 -0.509 0.000 2.371 536 R HA 0.525 4.865 4.340 0.000 0.000 0.312 536 R C -1.864 174.108 176.300 -0.547 0.000 0.980 536 R CA -0.359 55.342 56.100 -0.665 0.000 0.867 536 R CB 0.431 30.324 30.300 -0.678 0.000 1.163 536 R HN 0.564 nan 8.270 nan 0.000 0.492 537 F N 2.576 122.391 119.950 -0.224 0.000 2.410 537 F HA 0.218 4.745 4.527 0.000 0.000 0.348 537 F C 1.184 176.976 175.800 -0.013 0.000 1.106 537 F CA -0.472 57.423 58.000 -0.175 0.000 1.163 537 F CB 1.123 40.004 39.000 -0.198 0.000 1.129 537 F HN 0.413 nan 8.300 nan 0.000 0.516 538 N N 3.502 122.475 118.700 0.454 0.000 3.229 538 N HA 0.127 4.867 4.740 0.000 0.000 0.275 538 N C 0.766 176.411 175.510 0.225 0.000 1.225 538 N CA -0.113 53.063 53.050 0.210 0.000 1.119 538 N CB 0.608 39.095 38.487 0.001 0.000 1.392 538 N HN 0.564 nan 8.380 nan 0.000 0.520 539 V N -0.977 119.050 119.914 0.187 0.000 2.951 539 V HA 0.187 4.307 4.120 0.000 0.000 0.255 539 V C 0.789 176.944 176.094 0.101 0.000 1.088 539 V CA 0.712 63.103 62.300 0.151 0.000 1.109 539 V CB -0.225 31.663 31.823 0.108 0.000 0.724 539 V HN 0.281 nan 8.190 nan 0.000 0.471 540 T N -0.531 114.075 114.554 0.086 0.000 2.821 540 T HA 0.322 4.672 4.350 0.000 0.000 0.306 540 T C -0.127 174.596 174.700 0.040 0.000 1.313 540 T CA -0.177 61.964 62.100 0.068 0.000 1.012 540 T CB 2.112 71.042 68.868 0.103 0.000 1.298 540 T HN 0.077 nan 8.240 nan 0.000 0.502 541 D N 0.839 121.253 120.400 0.023 0.000 2.104 541 D HA -0.099 4.541 4.640 0.000 0.000 0.194 541 D C 1.467 177.774 176.300 0.013 0.000 0.994 541 D CA 1.377 55.379 54.000 0.002 0.000 0.830 541 D CB 0.059 40.867 40.800 0.013 0.000 0.959 541 D HN 0.483 nan 8.370 nan 0.000 0.452 542 D N -0.372 120.047 120.400 0.032 0.000 2.277 542 D HA -0.001 4.639 4.640 0.000 0.000 0.208 542 D C 0.688 177.040 176.300 0.087 0.000 0.962 542 D CA 0.126 54.123 54.000 -0.005 0.000 0.865 542 D CB 0.381 41.141 40.800 -0.067 0.000 0.939 542 D HN 0.156 nan 8.370 nan 0.000 0.510 543 L N 0.837 122.160 121.223 0.166 0.000 2.346 543 L HA 0.406 4.746 4.340 0.000 0.000 0.276 543 L C -1.090 175.865 176.870 0.142 0.000 1.006 543 L CA -0.448 54.525 54.840 0.222 0.000 0.817 543 L CB 1.787 43.996 42.059 0.250 0.000 1.272 543 L HN -0.277 nan 8.230 nan 0.000 0.421 544 N N 4.326 123.116 118.700 0.150 0.000 2.371 544 N HA 0.442 5.182 4.740 0.000 0.000 0.291 544 N C -1.923 173.658 175.510 0.119 0.000 1.053 544 N CA -0.444 52.658 53.050 0.086 0.000 0.870 544 N CB 2.659 41.160 38.487 0.022 0.000 1.503 544 N HN 0.491 nan 8.380 nan 0.000 0.485 545 L N 2.796 124.074 121.223 0.091 0.000 2.333 545 L HA 0.628 4.968 4.340 0.000 0.000 0.280 545 L C -1.478 175.456 176.870 0.107 0.000 1.004 545 L CA -0.361 54.591 54.840 0.187 0.000 0.820 545 L CB 0.499 42.690 42.059 0.220 0.000 1.247 545 L HN 0.287 nan 8.230 nan 0.000 0.416 546 F N 5.868 125.926 119.950 0.180 0.000 2.411 546 F HA 0.567 5.094 4.527 0.000 0.000 0.350 546 F C -0.182 175.743 175.800 0.208 0.000 1.114 546 F CA -0.289 57.819 58.000 0.181 0.000 1.135 546 F CB 1.074 40.215 39.000 0.235 0.000 1.120 546 F HN 0.256 nan 8.300 nan 0.000 0.495 547 L N 3.364 124.804 121.223 0.361 0.000 2.376 547 L HA 0.846 5.187 4.340 0.000 0.000 0.275 547 L C 0.030 177.084 176.870 0.307 0.000 0.987 547 L CA -0.500 54.544 54.840 0.339 0.000 0.828 547 L CB 1.798 44.084 42.059 0.377 0.000 1.249 547 L HN 0.791 nan 8.230 nan 0.000 0.409 548 G N 1.140 110.145 108.800 0.342 0.000 2.649 548 G HA2 0.826 4.787 3.960 0.000 0.000 0.290 548 G HA3 0.826 4.787 3.960 0.000 0.000 0.290 548 G C -1.310 173.760 174.900 0.283 0.000 1.426 548 G CA -0.252 45.027 45.100 0.299 0.000 0.794 548 G HN 0.828 nan 8.290 nan 0.000 0.483 549 G N -1.064 107.869 108.800 0.222 0.000 2.466 549 G HA2 0.649 4.609 3.960 0.000 0.000 0.291 549 G HA3 0.649 4.609 3.960 0.000 0.000 0.291 549 G C -1.862 173.128 174.900 0.150 0.000 1.460 549 G CA -0.652 44.535 45.100 0.146 0.000 0.791 549 G HN 0.697 nan 8.290 nan 0.000 0.505 550 R N -0.274 120.243 120.500 0.029 0.000 2.535 550 R HA 0.582 4.922 4.340 0.000 0.000 0.274 550 R C -2.056 174.338 176.300 0.156 0.000 1.090 550 R CA -0.623 55.556 56.100 0.132 0.000 0.930 550 R CB 2.343 32.683 30.300 0.067 0.000 1.223 550 R HN 0.806 nan 8.270 nan 0.000 0.441 551 V N 5.726 125.785 119.914 0.241 0.000 2.435 551 V HA 0.655 4.775 4.120 0.000 0.000 0.290 551 V C -0.755 175.459 176.094 0.201 0.000 1.030 551 V CA -0.336 62.114 62.300 0.249 0.000 0.881 551 V CB 1.667 33.637 31.823 0.245 0.000 0.983 551 V HN 0.528 nan 8.190 nan 0.000 0.445 552 V N 3.375 123.417 119.914 0.213 0.000 2.823 552 V HA 0.697 4.817 4.120 0.000 0.000 0.312 552 V C -0.682 175.544 176.094 0.221 0.000 1.072 552 V CA -0.724 61.711 62.300 0.226 0.000 0.937 552 V CB 1.990 33.988 31.823 0.292 0.000 1.013 552 V HN 0.854 nan 8.190 nan 0.000 0.430 553 D N 1.708 122.221 120.400 0.189 0.000 2.440 553 D HA 0.283 4.923 4.640 0.000 0.000 0.252 553 D C -1.940 174.460 176.300 0.167 0.000 1.180 553 D CA -0.241 53.854 54.000 0.158 0.000 0.894 553 D CB 1.559 42.410 40.800 0.086 0.000 1.111 553 D HN 0.715 nan 8.370 nan 0.000 0.544 554 Y N 4.060 124.419 120.300 0.099 0.000 2.342 554 Y HA 0.361 4.911 4.550 0.000 0.000 0.338 554 Y C -0.437 175.489 175.900 0.043 0.000 0.965 554 Y CA -0.640 57.500 58.100 0.068 0.000 1.159 554 Y CB 0.753 39.288 38.460 0.125 0.000 1.157 554 Y HN 0.280 nan 8.280 nan 0.000 0.486 555 R N 5.387 125.762 120.500 -0.209 0.000 2.574 555 R HA 0.682 5.022 4.340 0.000 0.000 0.288 555 R C -2.425 173.749 176.300 -0.211 0.000 1.004 555 R CA -0.682 55.349 56.100 -0.115 0.000 0.895 555 R CB 1.897 32.150 30.300 -0.079 0.000 1.191 555 R HN 0.557 nan 8.270 nan 0.000 0.444 556 V N 3.793 123.661 119.914 -0.077 0.000 2.524 556 V HA 0.452 4.572 4.120 0.000 0.000 0.297 556 V C -1.068 175.028 176.094 0.002 0.000 1.035 556 V CA -0.217 62.053 62.300 -0.050 0.000 0.867 556 V CB 1.992 33.814 31.823 -0.001 0.000 1.004 556 V HN 0.906 nan 8.190 nan 0.000 0.426 557 T N 4.533 119.088 114.554 0.001 0.000 2.925 557 T HA 0.959 5.309 4.350 0.000 0.000 0.285 557 T C 0.125 174.840 174.700 0.026 0.000 1.021 557 T CA 0.540 62.648 62.100 0.012 0.000 1.042 557 T CB 1.346 70.215 68.868 0.002 0.000 1.037 557 T HN 1.780 nan 8.240 nan 0.000 0.481 558 G N 1.998 110.813 108.800 0.025 0.000 2.399 558 G HA2 0.218 4.178 3.960 0.000 0.000 0.256 558 G HA3 0.218 4.178 3.960 0.000 0.000 0.256 558 G C 0.222 175.135 174.900 0.022 0.000 1.236 558 G CA -0.257 44.859 45.100 0.027 0.000 0.914 558 G HN 0.733 nan 8.290 nan 0.000 0.482 559 L N 0.682 121.916 121.223 0.019 0.000 2.044 559 L HA 0.121 4.461 4.340 0.000 0.000 0.205 559 L C 1.324 178.218 176.870 0.040 0.000 1.075 559 L CA 0.604 55.458 54.840 0.023 0.000 0.747 559 L CB -0.464 41.607 42.059 0.020 0.000 0.903 559 L HN 0.350 nan 8.230 nan 0.000 0.435 560 N N 0.352 119.084 118.700 0.053 0.000 2.371 560 N HA 0.135 4.875 4.740 0.000 0.000 0.243 560 N C -2.172 173.367 175.510 0.048 0.000 1.287 560 N CA -0.812 52.276 53.050 0.064 0.000 0.911 560 N CB -0.296 38.237 38.487 0.077 0.000 1.142 560 N HN -0.092 nan 8.380 nan 0.000 0.451 561 P HA 0.052 nan 4.420 nan 0.000 0.269 561 P C -0.425 176.897 177.300 0.036 0.000 1.209 561 P CA 0.181 63.305 63.100 0.041 0.000 0.776 561 P CB 0.202 31.929 31.700 0.044 0.000 0.876 562 T N 3.001 117.575 114.554 0.034 0.000 2.902 562 T HA 0.192 4.542 4.350 0.000 0.000 0.301 562 T C 0.598 175.325 174.700 0.044 0.000 1.012 562 T CA 0.204 62.325 62.100 0.035 0.000 1.151 562 T CB -0.351 68.535 68.868 0.029 0.000 0.946 562 T HN 0.178 nan 8.240 nan 0.000 0.542 563 I N 3.709 124.312 120.570 0.056 0.000 2.331 563 I HA 0.458 4.628 4.170 0.000 0.000 0.292 563 I C 0.590 176.768 176.117 0.101 0.000 0.998 563 I CA -0.603 60.747 61.300 0.083 0.000 1.267 563 I CB 0.816 38.883 38.000 0.112 0.000 1.386 563 I HN 0.213 nan 8.210 nan 0.000 0.476 564 R N 5.205 125.764 120.500 0.098 0.000 2.510 564 R HA 0.378 4.718 4.340 0.000 0.000 0.294 564 R C -1.435 174.927 176.300 0.103 0.000 1.056 564 R CA -0.597 55.560 56.100 0.096 0.000 0.918 564 R CB 1.917 32.253 30.300 0.060 0.000 1.187 564 R HN 0.510 nan 8.270 nan 0.000 0.437 565 E N 1.849 122.136 120.200 0.144 0.000 2.220 565 E HA 0.339 4.689 4.350 0.000 0.000 0.256 565 E C -0.873 175.792 176.600 0.107 0.000 0.881 565 E CA -0.379 56.087 56.400 0.112 0.000 0.766 565 E CB 2.139 31.919 29.700 0.133 0.000 1.187 565 E HN 0.364 nan 8.360 nan 0.000 0.419 566 S N 0.075 115.811 115.700 0.061 0.000 2.565 566 S HA 0.558 5.028 4.470 0.000 0.000 0.290 566 S C 0.731 175.358 174.600 0.044 0.000 1.150 566 S CA -0.188 58.047 58.200 0.059 0.000 1.058 566 S CB 1.568 64.794 63.200 0.044 0.000 1.032 566 S HN 0.726 nan 8.310 nan 0.000 0.510 567 G N 2.468 111.305 108.800 0.062 0.000 2.356 567 G HA2 -0.231 3.729 3.960 0.000 0.000 0.296 567 G HA3 -0.231 3.729 3.960 0.000 0.000 0.296 567 G C -0.025 174.910 174.900 0.057 0.000 1.022 567 G CA -0.051 45.087 45.100 0.063 0.000 0.961 567 G HN 0.514 nan 8.290 nan 0.000 0.510 568 R N -1.072 119.458 120.500 0.050 0.000 2.490 568 R HA 0.528 4.868 4.340 0.000 0.000 0.280 568 R C -0.377 176.010 176.300 0.144 0.000 1.077 568 R CA -0.439 55.647 56.100 -0.025 0.000 1.065 568 R CB 0.877 31.030 30.300 -0.245 0.000 1.003 568 R HN 0.294 nan 8.270 nan 0.000 0.470 569 F N 3.227 123.154 119.950 -0.039 0.000 2.520 569 F HA 0.503 5.030 4.527 0.000 0.000 0.322 569 F C -0.851 174.981 175.800 0.055 0.000 1.103 569 F CA -1.055 56.964 58.000 0.031 0.000 0.926 569 F CB 1.070 40.086 39.000 0.027 0.000 1.154 569 F HN 0.327 nan 8.300 nan 0.000 0.453 570 I N 7.863 127.952 120.570 -0.802 0.000 2.439 570 I HA 0.378 4.548 4.170 0.000 0.000 0.285 570 I C -2.522 173.027 176.117 -0.946 0.000 1.021 570 I CA -1.980 58.935 61.300 -0.642 0.000 1.091 570 I CB 1.916 39.776 38.000 -0.233 0.000 1.242 570 I HN 0.400 nan 8.210 nan 0.000 0.439 571 P HA 0.245 nan 4.420 nan 0.000 0.284 571 P C -1.563 175.737 177.300 -0.001 0.000 1.258 571 P CA -0.536 62.398 63.100 -0.276 0.000 0.824 571 P CB 0.826 32.585 31.700 0.099 0.000 1.038 572 Y N 1.485 121.781 120.300 -0.006 0.000 2.327 572 Y HA 0.494 5.044 4.550 0.000 0.000 0.325 572 Y C -1.501 174.469 175.900 0.117 0.000 0.999 572 Y CA -0.658 57.450 58.100 0.013 0.000 1.195 572 Y CB 1.233 39.681 38.460 -0.019 0.000 1.132 572 Y HN 0.054 nan 8.280 nan 0.000 0.455 573 V N 5.123 124.904 119.914 -0.223 0.000 2.531 573 V HA 0.941 5.061 4.120 0.000 0.000 0.301 573 V C -0.087 175.865 176.094 -0.236 0.000 1.034 573 V CA -0.357 61.898 62.300 -0.076 0.000 0.865 573 V CB 1.551 33.408 31.823 0.055 0.000 0.995 573 V HN 0.942 nan 8.190 nan 0.000 0.424 574 G N 2.559 111.331 108.800 -0.046 0.000 2.742 574 G HA2 0.823 4.783 3.960 0.000 0.000 0.296 574 G HA3 0.823 4.783 3.960 0.000 0.000 0.296 574 G C -1.388 173.682 174.900 0.284 0.000 1.436 574 G CA -0.059 45.042 45.100 0.002 0.000 0.928 574 G HN 1.141 nan 8.290 nan 0.000 0.520 575 A N -0.103 122.870 122.820 0.255 0.000 2.475 575 A HA 0.888 5.208 4.320 0.000 0.000 0.301 575 A C -1.285 176.491 177.584 0.320 0.000 1.059 575 A CA -0.793 51.423 52.037 0.298 0.000 0.710 575 A CB 2.247 21.365 19.000 0.197 0.000 1.288 575 A HN 2.081 nan 8.150 nan 0.000 0.408 576 V N 2.671 122.783 119.914 0.331 0.000 2.569 576 V HA 0.678 4.798 4.120 0.000 0.000 0.301 576 V C -1.997 174.278 176.094 0.301 0.000 1.044 576 V CA -0.485 62.004 62.300 0.315 0.000 0.874 576 V CB 1.415 33.414 31.823 0.294 0.000 1.002 576 V HN 1.049 nan 8.190 nan 0.000 0.424 577 Y N 5.065 125.450 120.300 0.142 0.000 2.409 577 Y HA 0.726 5.276 4.550 0.000 0.000 0.339 577 Y C -0.390 175.568 175.900 0.096 0.000 1.033 577 Y CA -0.910 57.252 58.100 0.102 0.000 1.094 577 Y CB 1.882 40.393 38.460 0.085 0.000 1.210 577 Y HN 0.691 nan 8.280 nan 0.000 0.456 578 D N 6.040 126.149 120.400 -0.485 0.000 2.217 578 D HA 0.287 4.927 4.640 0.000 0.000 0.243 578 D C 0.406 176.345 176.300 -0.602 0.000 1.054 578 D CA -0.120 53.649 54.000 -0.384 0.000 0.838 578 D CB 2.049 42.725 40.800 -0.207 0.000 1.162 578 D HN 0.683 nan 8.370 nan 0.000 0.472 579 L N 1.241 122.291 121.223 -0.287 0.000 2.316 579 L HA 0.177 4.517 4.340 0.000 0.000 0.207 579 L C 0.877 177.697 176.870 -0.084 0.000 1.070 579 L CA 0.539 55.273 54.840 -0.175 0.000 0.820 579 L CB 0.029 42.078 42.059 -0.017 0.000 0.992 579 L HN 0.235 nan 8.230 nan 0.000 0.466 580 N N -1.459 117.208 118.700 -0.055 0.000 3.566 580 N HA 0.183 4.923 4.740 0.000 0.000 0.354 580 N C -0.760 174.707 175.510 -0.072 0.000 1.632 580 N CA -0.712 52.315 53.050 -0.039 0.000 0.690 580 N CB 0.780 39.269 38.487 0.003 0.000 2.273 580 N HN -0.175 nan 8.380 nan 0.000 0.643 581 D N -0.739 119.611 120.400 -0.082 0.000 2.368 581 D HA 0.198 4.838 4.640 0.000 0.000 0.218 581 D C 0.204 176.395 176.300 -0.183 0.000 1.112 581 D CA 0.566 54.504 54.000 -0.104 0.000 0.834 581 D CB 0.450 41.204 40.800 -0.076 0.000 0.953 581 D HN 0.325 nan 8.370 nan 0.000 0.505 582 T N -1.310 113.094 114.554 -0.249 0.000 3.321 582 T HA 0.116 4.466 4.350 0.000 0.000 0.251 582 T C 0.013 174.384 174.700 -0.548 0.000 0.999 582 T CA 0.042 61.827 62.100 -0.525 0.000 1.186 582 T CB 0.306 68.749 68.868 -0.708 0.000 1.163 582 T HN -0.096 nan 8.240 nan 0.000 0.399 583 Y N 1.844 122.062 120.300 -0.138 0.000 2.334 583 Y HA 0.706 5.256 4.550 0.000 0.000 0.328 583 Y C 0.221 176.087 175.900 -0.057 0.000 1.130 583 Y CA -0.831 57.219 58.100 -0.084 0.000 1.163 583 Y CB 1.392 39.827 38.460 -0.042 0.000 1.207 583 Y HN 0.043 nan 8.280 nan 0.000 0.471 584 S N 1.357 117.156 115.700 0.164 0.000 2.540 584 S HA 0.630 5.100 4.470 0.000 0.000 0.275 584 S C -0.948 173.773 174.600 0.202 0.000 1.123 584 S CA -0.974 57.301 58.200 0.123 0.000 0.907 584 S CB 1.557 64.808 63.200 0.086 0.000 1.081 584 S HN 0.538 nan 8.310 nan 0.000 0.476 585 V N 1.272 121.312 119.914 0.210 0.000 2.713 585 V HA 0.958 5.078 4.120 0.000 0.000 0.307 585 V C -1.011 175.265 176.094 0.303 0.000 1.052 585 V CA -0.672 61.760 62.300 0.220 0.000 0.967 585 V CB 0.847 32.770 31.823 0.167 0.000 1.019 585 V HN 0.979 nan 8.190 nan 0.000 0.459 586 Y N 0.905 121.279 120.300 0.124 0.000 2.581 586 Y HA 0.951 5.501 4.550 0.000 0.000 0.337 586 Y C -0.675 175.281 175.900 0.093 0.000 1.108 586 Y CA -0.774 57.393 58.100 0.112 0.000 1.033 586 Y CB 1.308 39.822 38.460 0.089 0.000 1.318 586 Y HN 1.142 nan 8.280 nan 0.000 0.459 587 A N 1.933 124.865 122.820 0.187 0.000 2.475 587 A HA 0.892 5.212 4.320 0.000 0.000 0.301 587 A C -1.039 176.633 177.584 0.147 0.000 1.059 587 A CA -0.165 51.930 52.037 0.096 0.000 0.710 587 A CB 1.459 20.497 19.000 0.065 0.000 1.288 587 A HN 1.646 nan 8.150 nan 0.000 0.408 588 S N 0.309 116.067 115.700 0.095 0.000 2.579 588 S HA 0.738 5.208 4.470 0.000 0.000 0.272 588 S C -1.382 173.195 174.600 -0.038 0.000 1.141 588 S CA -0.573 57.609 58.200 -0.030 0.000 0.843 588 S CB 1.461 64.597 63.200 -0.107 0.000 1.122 588 S HN 1.604 nan 8.310 nan 0.000 0.468 589 Y N 1.715 121.841 120.300 -0.291 0.000 2.329 589 Y HA 0.605 5.155 4.550 0.000 0.000 0.328 589 Y C -0.514 175.184 175.900 -0.336 0.000 0.992 589 Y CA -0.013 57.880 58.100 -0.346 0.000 1.151 589 Y CB 1.594 39.865 38.460 -0.315 0.000 1.150 589 Y HN 1.160 nan 8.280 nan 0.000 0.450 590 T N 2.385 116.499 114.554 -0.733 0.000 2.901 590 T HA 0.591 4.942 4.350 0.000 0.000 0.293 590 T C -1.589 172.754 174.700 -0.596 0.000 1.084 590 T CA -0.806 60.986 62.100 -0.514 0.000 1.008 590 T CB 2.442 71.159 68.868 -0.252 0.000 1.170 590 T HN 0.669 nan 8.240 nan 0.000 0.509 591 D N -0.142 120.032 120.400 -0.377 0.000 2.655 591 D HA 0.577 5.217 4.640 0.000 0.000 0.229 591 D C -1.685 174.498 176.300 -0.194 0.000 1.229 591 D CA -0.557 53.259 54.000 -0.306 0.000 0.807 591 D CB 3.005 43.629 40.800 -0.294 0.000 1.514 591 D HN 0.768 nan 8.370 nan 0.000 0.444 592 I N 1.943 122.424 120.570 -0.149 0.000 2.918 592 I HA 0.600 4.770 4.170 0.000 0.000 0.301 592 I C -1.770 174.340 176.117 -0.012 0.000 1.312 592 I CA -0.820 60.412 61.300 -0.114 0.000 1.007 592 I CB 2.150 40.026 38.000 -0.208 0.000 1.281 592 I HN 0.408 nan 8.210 nan 0.000 0.440 593 F N 5.594 125.440 119.950 -0.174 0.000 2.613 593 F HA 0.880 5.407 4.527 0.000 0.000 0.314 593 F C -1.440 174.239 175.800 -0.202 0.000 1.075 593 F CA -1.121 56.779 58.000 -0.166 0.000 0.945 593 F CB 1.783 40.703 39.000 -0.132 0.000 1.310 593 F HN 0.374 nan 8.300 nan 0.000 0.467 594 M N 3.785 123.244 119.600 -0.235 0.000 2.183 594 M HA 0.576 5.056 4.480 0.000 0.000 0.277 594 M C -3.112 173.086 176.300 -0.171 0.000 0.995 594 M CA -2.821 52.245 55.300 -0.389 0.000 0.969 594 M CB 1.898 34.327 32.600 -0.286 0.000 1.659 594 M HN 0.330 nan 8.290 nan 0.000 0.462 595 P HA 0.125 nan 4.420 nan 0.000 0.265 595 P C -1.132 176.128 177.300 -0.068 0.000 1.193 595 P CA 0.034 63.080 63.100 -0.090 0.000 0.765 595 P CB 0.416 32.029 31.700 -0.146 0.000 0.823 596 Q N 2.188 121.982 119.800 -0.011 0.000 2.392 596 Q HA 0.085 4.426 4.340 0.000 0.000 0.262 596 Q C -0.100 175.839 176.000 -0.103 0.000 1.003 596 Q CA 0.583 56.387 55.803 0.002 0.000 0.888 596 Q CB 0.073 28.841 28.738 0.049 0.000 1.260 596 Q HN 0.357 nan 8.270 nan 0.000 0.435 597 D N 0.090 120.335 120.400 -0.259 0.000 2.339 597 D HA -0.010 4.630 4.640 0.000 0.000 0.245 597 D C 0.785 176.618 176.300 -0.779 0.000 1.115 597 D CA 0.130 53.741 54.000 -0.648 0.000 0.917 597 D CB 1.310 41.443 40.800 -1.112 0.000 1.192 597 D HN 0.618 nan 8.370 nan 0.000 0.428 598 S N 1.621 116.903 115.700 -0.697 0.000 2.381 598 S HA -0.225 4.245 4.470 0.000 0.000 0.230 598 S C 1.592 176.068 174.600 -0.205 0.000 1.052 598 S CA 2.022 60.023 58.200 -0.333 0.000 1.068 598 S CB -0.311 62.811 63.200 -0.129 0.000 0.918 598 S HN 0.656 nan 8.310 nan 0.000 0.448 599 W N -0.505 120.738 121.300 -0.094 0.000 3.047 599 W HA 0.350 5.010 4.660 0.000 0.000 0.250 599 W C -0.267 176.311 176.519 0.100 0.000 1.314 599 W CA -0.720 56.617 57.345 -0.014 0.000 1.540 599 W CB -0.846 28.597 29.460 -0.028 0.000 1.127 599 W HN 0.100 nan 8.180 nan 0.000 0.679 600 Y N 3.237 123.508 120.300 -0.049 0.000 2.594 600 Y HA 0.403 4.953 4.550 0.000 0.000 0.344 600 Y C 0.435 176.387 175.900 0.086 0.000 1.185 600 Y CA -1.185 56.870 58.100 -0.075 0.000 1.565 600 Y CB -0.622 37.641 38.460 -0.327 0.000 1.415 600 Y HN -0.065 nan 8.280 nan 0.000 0.488 601 R N 1.258 122.009 120.500 0.419 0.000 2.750 601 R HA 0.327 4.667 4.340 0.000 0.000 0.281 601 R C -0.483 175.940 176.300 0.205 0.000 0.972 601 R CA -1.112 55.136 56.100 0.246 0.000 0.912 601 R CB 1.668 32.081 30.300 0.190 0.000 1.187 601 R HN 0.477 nan 8.270 nan 0.000 0.464 602 D N -0.057 120.398 120.400 0.092 0.000 2.440 602 D HA 0.062 4.702 4.640 0.000 0.000 0.269 602 D C 0.428 176.650 176.300 -0.130 0.000 1.249 602 D CA -0.507 53.495 54.000 0.003 0.000 1.055 602 D CB 0.270 41.071 40.800 0.003 0.000 1.104 602 D HN 0.239 nan 8.370 nan 0.000 0.561 603 S N -1.286 114.270 115.700 -0.239 0.000 2.419 603 S HA -0.098 4.372 4.470 0.000 0.000 0.233 603 S C 1.443 175.916 174.600 -0.213 0.000 1.016 603 S CA 0.848 58.781 58.200 -0.445 0.000 0.974 603 S CB -0.308 62.688 63.200 -0.340 0.000 0.786 603 S HN 0.461 nan 8.310 nan 0.000 0.492 604 S N 1.769 117.415 115.700 -0.089 0.000 2.614 604 S HA 0.204 4.674 4.470 0.000 0.000 0.230 604 S C 0.621 175.222 174.600 0.000 0.000 0.952 604 S CA -0.235 57.951 58.200 -0.023 0.000 0.949 604 S CB -0.283 62.916 63.200 -0.003 0.000 0.786 604 S HN 0.522 nan 8.310 nan 0.000 0.478 605 N N 1.778 120.475 118.700 -0.006 0.000 2.753 605 N HA -0.183 4.557 4.740 0.000 0.000 0.251 605 N C -0.688 174.851 175.510 0.048 0.000 1.097 605 N CA 0.985 54.056 53.050 0.036 0.000 0.786 605 N CB -1.140 37.378 38.487 0.051 0.000 1.137 605 N HN 0.487 nan 8.380 nan 0.000 0.566 606 K N 0.192 120.615 120.400 0.037 0.000 2.143 606 K HA 0.317 4.637 4.320 0.000 0.000 0.272 606 K C 0.087 176.721 176.600 0.055 0.000 1.001 606 K CA -0.947 55.365 56.287 0.042 0.000 0.915 606 K CB 1.305 33.823 32.500 0.030 0.000 1.047 606 K HN 0.100 nan 8.250 nan 0.000 0.458 607 L N 3.505 124.760 121.223 0.054 0.000 2.426 607 L HA 0.118 4.458 4.340 0.000 0.000 0.271 607 L C -0.436 176.465 176.870 0.053 0.000 1.169 607 L CA 0.215 55.090 54.840 0.058 0.000 0.836 607 L CB 0.304 42.388 42.059 0.042 0.000 1.112 607 L HN 0.472 nan 8.230 nan 0.000 0.465 608 L N 4.093 125.354 121.223 0.063 0.000 2.461 608 L HA 0.108 4.448 4.340 0.000 0.000 0.272 608 L C 0.653 177.543 176.870 0.033 0.000 1.197 608 L CA -0.045 54.824 54.840 0.047 0.000 0.836 608 L CB 0.173 42.259 42.059 0.045 0.000 1.105 608 L HN 0.655 nan 8.230 nan 0.000 0.477 609 E N 3.401 123.616 120.200 0.024 0.000 2.383 609 E HA 0.135 4.485 4.350 0.000 0.000 0.264 609 E C -2.142 174.470 176.600 0.020 0.000 1.050 609 E CA -1.728 54.681 56.400 0.015 0.000 0.896 609 E CB 0.255 29.958 29.700 0.004 0.000 0.982 609 E HN 0.336 nan 8.360 nan 0.000 0.424 610 P HA -0.143 nan 4.420 nan 0.000 0.264 610 P C -0.518 176.817 177.300 0.058 0.000 1.179 610 P CA 0.260 63.401 63.100 0.069 0.000 0.763 610 P CB 0.432 32.234 31.700 0.170 0.000 0.806 611 D N 1.993 122.417 120.400 0.040 0.000 2.358 611 D HA 0.079 4.719 4.640 0.000 0.000 0.258 611 D C -0.179 176.136 176.300 0.026 0.000 1.223 611 D CA 0.459 54.469 54.000 0.016 0.000 0.886 611 D CB 0.085 40.877 40.800 -0.013 0.000 1.120 611 D HN 0.286 nan 8.370 nan 0.000 0.482 612 E N 1.837 122.053 120.200 0.026 0.000 2.288 612 E HA 0.758 5.108 4.350 0.000 0.000 0.268 612 E C -0.858 175.732 176.600 -0.017 0.000 0.885 612 E CA -1.075 55.342 56.400 0.027 0.000 0.767 612 E CB 1.545 31.273 29.700 0.046 0.000 1.220 612 E HN 0.463 nan 8.360 nan 0.000 0.427 613 G N 1.757 110.518 108.800 -0.065 0.000 2.704 613 G HA2 0.474 4.434 3.960 0.000 0.000 0.293 613 G HA3 0.474 4.434 3.960 0.000 0.000 0.293 613 G C -1.661 173.157 174.900 -0.137 0.000 1.421 613 G CA -0.586 44.464 45.100 -0.084 0.000 0.870 613 G HN 0.380 nan 8.290 nan 0.000 0.492 614 Q N -0.321 119.407 119.800 -0.120 0.000 2.394 614 Q HA 0.550 4.890 4.340 0.000 0.000 0.273 614 Q C -0.737 175.110 176.000 -0.255 0.000 1.089 614 Q CA -0.867 54.765 55.803 -0.285 0.000 0.812 614 Q CB 2.490 31.034 28.738 -0.324 0.000 1.353 614 Q HN 0.539 nan 8.270 nan 0.000 0.438 615 N N 0.721 119.191 118.700 -0.385 0.000 2.479 615 N HA 0.324 5.064 4.740 0.000 0.000 0.261 615 N C -1.904 173.458 175.510 -0.246 0.000 0.979 615 N CA -0.279 52.639 53.050 -0.220 0.000 0.930 615 N CB 0.574 38.945 38.487 -0.194 0.000 1.172 615 N HN 0.435 nan 8.380 nan 0.000 0.499 616 Y N 1.492 121.740 120.300 -0.088 0.000 2.404 616 Y HA 0.329 4.879 4.550 0.000 0.000 0.344 616 Y C 0.292 176.210 175.900 0.030 0.000 0.970 616 Y CA -0.460 57.634 58.100 -0.009 0.000 1.180 616 Y CB 0.958 39.401 38.460 -0.029 0.000 1.138 616 Y HN 0.420 nan 8.280 nan 0.000 0.510 617 E N 4.187 124.484 120.200 0.163 0.000 2.234 617 E HA 0.619 4.970 4.350 0.000 0.000 0.266 617 E C -1.619 175.014 176.600 0.056 0.000 0.877 617 E CA -0.797 55.691 56.400 0.145 0.000 0.758 617 E CB 1.926 31.730 29.700 0.172 0.000 1.170 617 E HN 0.674 nan 8.360 nan 0.000 0.415 618 I N 3.048 123.619 120.570 0.002 0.000 2.686 618 I HA 0.797 4.967 4.170 0.000 0.000 0.295 618 I C -0.662 175.296 176.117 -0.265 0.000 1.114 618 I CA -0.233 60.961 61.300 -0.177 0.000 1.038 618 I CB 1.782 39.766 38.000 -0.027 0.000 1.238 618 I HN 0.670 nan 8.210 nan 0.000 0.420 619 G N 6.326 114.787 108.800 -0.564 0.000 2.430 619 G HA2 0.378 4.338 3.960 0.000 0.000 0.300 619 G HA3 0.378 4.338 3.960 0.000 0.000 0.300 619 G C -2.324 172.448 174.900 -0.213 0.000 1.330 619 G CA -0.640 44.269 45.100 -0.319 0.000 0.813 619 G HN 0.707 nan 8.290 nan 0.000 0.487 620 I N -0.065 120.534 120.570 0.048 0.000 2.509 620 I HA 0.669 4.839 4.170 0.000 0.000 0.293 620 I C -0.637 175.639 176.117 0.265 0.000 1.020 620 I CA -0.965 60.431 61.300 0.161 0.000 1.088 620 I CB 1.738 39.785 38.000 0.078 0.000 1.267 620 I HN 0.409 nan 8.210 nan 0.000 0.430 621 K N 4.689 125.267 120.400 0.296 0.000 2.267 621 K HA 0.720 5.040 4.320 0.000 0.000 0.246 621 K C -0.552 176.170 176.600 0.202 0.000 0.954 621 K CA -0.860 55.569 56.287 0.237 0.000 0.824 621 K CB 2.153 34.755 32.500 0.169 0.000 1.167 621 K HN 0.760 nan 8.250 nan 0.000 0.431 622 G N 0.643 109.518 108.800 0.125 0.000 2.533 622 G HA2 0.512 4.472 3.960 0.000 0.000 0.304 622 G HA3 0.512 4.472 3.960 0.000 0.000 0.304 622 G C -1.519 173.233 174.900 -0.247 0.000 1.263 622 G CA -0.255 44.769 45.100 -0.127 0.000 0.964 622 G HN 0.545 nan 8.290 nan 0.000 0.479 623 E N -0.390 119.443 120.200 -0.612 0.000 2.304 623 E HA 0.555 4.905 4.350 0.000 0.000 0.277 623 E C -1.726 174.472 176.600 -0.670 0.000 0.898 623 E CA -0.621 55.530 56.400 -0.414 0.000 0.764 623 E CB 1.855 31.419 29.700 -0.227 0.000 1.216 623 E HN 0.473 nan 8.360 nan 0.000 0.419 624 Y N 2.151 122.391 120.300 -0.100 0.000 2.638 624 Y HA 0.431 4.981 4.550 0.000 0.000 0.339 624 Y C 0.064 175.926 175.900 -0.063 0.000 1.084 624 Y CA -1.289 56.755 58.100 -0.093 0.000 1.068 624 Y CB 1.206 39.612 38.460 -0.090 0.000 1.294 624 Y HN 0.484 nan 8.280 nan 0.000 0.480 625 L N 1.913 123.204 121.223 0.114 0.000 3.879 625 L HA -0.293 4.047 4.340 0.000 0.000 0.481 625 L C -0.366 176.517 176.870 0.021 0.000 1.232 625 L CA 0.874 55.744 54.840 0.050 0.000 0.736 625 L CB -1.677 40.407 42.059 0.042 0.000 1.511 625 L HN 0.932 nan 8.230 nan 0.000 0.830 626 D N -0.877 119.524 120.400 0.002 0.000 2.859 626 D HA -0.048 4.592 4.640 0.000 0.000 0.214 626 D C 1.140 177.435 176.300 -0.008 0.000 1.250 626 D CA 1.525 55.516 54.000 -0.014 0.000 0.635 626 D CB -1.223 39.568 40.800 -0.014 0.000 0.961 626 D HN 1.010 nan 8.370 nan 0.000 0.395 627 G N -0.483 108.314 108.800 -0.004 0.000 2.159 627 G HA2 -0.367 3.593 3.960 0.000 0.000 0.227 627 G HA3 -0.367 3.593 3.960 0.000 0.000 0.227 627 G C 0.882 175.791 174.900 0.014 0.000 0.986 627 G CA 0.161 45.261 45.100 0.001 0.000 0.651 627 G HN 0.586 nan 8.290 nan 0.000 0.523 628 R N -1.064 119.449 120.500 0.021 0.000 2.310 628 R HA 0.490 4.830 4.340 0.000 0.000 0.202 628 R C 0.374 176.688 176.300 0.023 0.000 0.933 628 R CA 0.670 56.779 56.100 0.014 0.000 1.054 628 R CB 0.251 30.554 30.300 0.003 0.000 0.985 628 R HN 0.426 nan 8.270 nan 0.000 0.489 629 L N 0.187 121.447 121.223 0.061 0.000 2.526 629 L HA 0.381 4.721 4.340 0.000 0.000 0.263 629 L C -1.992 174.974 176.870 0.159 0.000 0.943 629 L CA -0.622 54.273 54.840 0.092 0.000 0.859 629 L CB 2.192 44.295 42.059 0.073 0.000 1.313 629 L HN -0.097 nan 8.230 nan 0.000 0.406 630 N N 1.417 120.193 118.700 0.128 0.000 2.249 630 N HA 0.803 5.543 4.740 0.000 0.000 0.296 630 N C -1.228 174.376 175.510 0.156 0.000 1.051 630 N CA -0.619 52.507 53.050 0.127 0.000 0.815 630 N CB 2.259 40.784 38.487 0.064 0.000 1.487 630 N HN 0.687 nan 8.380 nan 0.000 0.475 631 T N -1.735 112.943 114.554 0.207 0.000 2.940 631 T HA 0.863 5.213 4.350 0.000 0.000 0.288 631 T C -0.467 174.343 174.700 0.183 0.000 1.033 631 T CA -0.775 61.449 62.100 0.207 0.000 1.033 631 T CB 1.285 70.330 68.868 0.296 0.000 1.079 631 T HN 0.484 nan 8.240 nan 0.000 0.496 632 S N 1.358 117.165 115.700 0.178 0.000 2.543 632 S HA 0.660 5.130 4.470 0.000 0.000 0.271 632 S C -1.513 173.206 174.600 0.198 0.000 1.148 632 S CA -1.014 57.304 58.200 0.196 0.000 0.914 632 S CB 1.480 64.788 63.200 0.180 0.000 1.096 632 S HN 1.105 nan 8.310 nan 0.000 0.471 633 L N 2.421 123.767 121.223 0.204 0.000 2.406 633 L HA 0.940 5.280 4.340 0.000 0.000 0.272 633 L C -0.666 176.320 176.870 0.193 0.000 0.980 633 L CA -0.146 54.808 54.840 0.189 0.000 0.831 633 L CB 1.460 43.593 42.059 0.123 0.000 1.253 633 L HN 1.235 nan 8.230 nan 0.000 0.406 634 A N 3.886 126.857 122.820 0.251 0.000 2.454 634 A HA 0.708 5.028 4.320 0.000 0.000 0.302 634 A C -2.172 175.616 177.584 0.340 0.000 1.079 634 A CA -0.472 51.714 52.037 0.248 0.000 0.731 634 A CB 1.273 20.462 19.000 0.316 0.000 1.299 634 A HN 0.692 nan 8.150 nan 0.000 0.413 635 Y N 1.945 122.322 120.300 0.127 0.000 2.341 635 Y HA 0.649 5.199 4.550 0.000 0.000 0.338 635 Y C -0.951 175.035 175.900 0.144 0.000 0.965 635 Y CA -1.455 56.701 58.100 0.093 0.000 1.108 635 Y CB 1.097 39.566 38.460 0.015 0.000 1.180 635 Y HN 0.718 nan 8.280 nan 0.000 0.458 636 F N 2.020 121.704 119.950 -0.443 0.000 2.618 636 F HA 0.858 5.386 4.527 0.000 0.000 0.332 636 F C -1.202 174.335 175.800 -0.438 0.000 1.061 636 F CA -1.322 56.493 58.000 -0.308 0.000 0.974 636 F CB 1.897 40.825 39.000 -0.120 0.000 1.310 636 F HN 0.436 nan 8.300 nan 0.000 0.491 637 E N 1.463 121.710 120.200 0.080 0.000 2.406 637 E HA 0.477 4.827 4.350 0.000 0.000 0.297 637 E C -1.994 174.711 176.600 0.175 0.000 0.917 637 E CA -0.391 56.047 56.400 0.063 0.000 0.795 637 E CB 1.832 31.525 29.700 -0.012 0.000 1.285 637 E HN 0.742 nan 8.360 nan 0.000 0.400 638 I N 4.145 124.867 120.570 0.254 0.000 2.389 638 I HA 0.329 4.499 4.170 0.000 0.000 0.288 638 I C -0.546 175.806 176.117 0.391 0.000 0.999 638 I CA -0.615 60.828 61.300 0.239 0.000 1.129 638 I CB 1.349 39.500 38.000 0.251 0.000 1.288 638 I HN 0.493 nan 8.210 nan 0.000 0.444 639 H N 5.276 124.458 119.070 0.186 0.000 2.504 639 H HA 0.360 4.916 4.556 0.000 0.000 0.322 639 H C -0.684 174.714 175.328 0.116 0.000 1.055 639 H CA -0.679 55.463 56.048 0.157 0.000 1.231 639 H CB 1.889 31.759 29.762 0.180 0.000 1.417 639 H HN 0.544 nan 8.280 nan 0.000 0.472 640 E N 3.571 123.914 120.200 0.240 0.000 2.202 640 E HA 0.141 4.491 4.350 0.000 0.000 0.272 640 E C -0.825 175.845 176.600 0.117 0.000 0.951 640 E CA -0.917 55.578 56.400 0.158 0.000 0.813 640 E CB 1.245 31.082 29.700 0.229 0.000 1.151 640 E HN 0.687 nan 8.360 nan 0.000 0.398 641 E N 3.219 123.467 120.200 0.080 0.000 2.340 641 E HA 0.285 4.635 4.350 0.000 0.000 0.273 641 E C -0.710 175.914 176.600 0.040 0.000 0.891 641 E CA -0.968 55.467 56.400 0.058 0.000 0.757 641 E CB 1.093 30.827 29.700 0.057 0.000 1.231 641 E HN 0.613 nan 8.360 nan 0.000 0.439 642 N N 0.665 119.382 118.700 0.030 0.000 2.816 642 N HA -0.176 4.564 4.740 0.000 0.000 0.247 642 N C -0.544 174.966 175.510 -0.000 0.000 1.100 642 N CA 0.706 53.764 53.050 0.015 0.000 0.687 642 N CB -1.220 37.275 38.487 0.013 0.000 1.003 642 N HN 0.653 nan 8.380 nan 0.000 0.554 643 R N 0.799 121.305 120.500 0.011 0.000 2.316 643 R HA 0.440 4.780 4.340 0.000 0.000 0.314 643 R C 0.262 176.530 176.300 -0.053 0.000 1.069 643 R CA 0.015 56.112 56.100 -0.005 0.000 0.959 643 R CB 0.388 30.709 30.300 0.035 0.000 0.987 643 R HN 0.258 nan 8.270 nan 0.000 0.446 644 A N 4.710 127.433 122.820 -0.162 0.000 2.444 644 A HA 0.134 4.454 4.320 0.000 0.000 0.273 644 A C -0.183 177.340 177.584 -0.103 0.000 1.136 644 A CA 0.097 51.973 52.037 -0.267 0.000 0.799 644 A CB 0.265 18.762 19.000 -0.839 0.000 1.081 644 A HN 0.888 nan 8.150 nan 0.000 0.509 645 E N 1.026 121.278 120.200 0.086 0.000 2.440 645 E HA 0.231 4.581 4.350 0.000 0.000 0.263 645 E C 0.551 177.306 176.600 0.258 0.000 0.938 645 E CA -0.650 55.845 56.400 0.159 0.000 0.831 645 E CB 1.402 31.142 29.700 0.068 0.000 1.456 645 E HN 0.784 nan 8.360 nan 0.000 0.427 646 E N 0.552 120.833 120.200 0.135 0.000 1.997 646 E HA -0.209 4.141 4.350 0.000 0.000 0.201 646 E C -0.602 175.959 176.600 -0.064 0.000 1.011 646 E CA 1.686 58.096 56.400 0.017 0.000 0.847 646 E CB 0.033 29.733 29.700 -0.000 0.000 0.787 646 E HN 0.561 nan 8.360 nan 0.000 0.472 647 D N -2.196 118.184 120.400 -0.033 0.000 3.639 647 D HA -0.144 4.496 4.640 0.000 0.000 0.253 647 D C -0.076 176.192 176.300 -0.052 0.000 1.049 647 D CA 0.680 54.663 54.000 -0.030 0.000 1.059 647 D CB -1.034 39.756 40.800 -0.016 0.000 0.953 647 D HN 0.327 nan 8.370 nan 0.000 0.420 648 A N 2.274 125.064 122.820 -0.049 0.000 2.066 648 A HA 0.038 4.358 4.320 0.000 0.000 0.218 648 A C 2.390 179.950 177.584 -0.040 0.000 1.157 648 A CA 1.108 53.108 52.037 -0.062 0.000 0.670 648 A CB -0.158 18.815 19.000 -0.045 0.000 0.804 648 A HN 0.543 nan 8.150 nan 0.000 0.453 649 L N -2.144 119.074 121.223 -0.008 0.000 2.012 649 L HA -0.235 4.105 4.340 0.000 0.000 0.210 649 L C 2.511 179.394 176.870 0.021 0.000 1.073 649 L CA 2.058 56.903 54.840 0.008 0.000 0.748 649 L CB -0.556 41.519 42.059 0.027 0.000 0.891 649 L HN 0.614 nan 8.230 nan 0.000 0.431 650 Y N 0.259 120.513 120.300 -0.076 0.000 2.269 650 Y HA -0.099 4.452 4.550 0.000 0.000 0.294 650 Y C 2.343 178.176 175.900 -0.112 0.000 1.120 650 Y CA 1.173 59.225 58.100 -0.079 0.000 1.159 650 Y CB -0.002 38.413 38.460 -0.075 0.000 1.024 650 Y HN 0.179 nan 8.280 nan 0.000 0.532 651 N N -0.350 118.315 118.700 -0.060 0.000 2.453 651 N HA -0.111 4.629 4.740 0.000 0.000 0.183 651 N C 1.703 177.101 175.510 -0.186 0.000 1.041 651 N CA 1.230 54.169 53.050 -0.185 0.000 0.900 651 N CB -0.168 38.141 38.487 -0.297 0.000 0.961 651 N HN 0.288 nan 8.380 nan 0.000 0.443 652 S N 0.445 116.054 115.700 -0.151 0.000 2.395 652 S HA -0.023 4.447 4.470 0.000 0.000 0.225 652 S C 0.583 175.094 174.600 -0.148 0.000 1.027 652 S CA 0.874 59.001 58.200 -0.123 0.000 0.965 652 S CB 0.112 63.261 63.200 -0.084 0.000 0.812 652 S HN 0.522 nan 8.310 nan 0.000 0.482 653 K N 0.762 121.035 120.400 -0.211 0.000 2.984 653 K HA 0.398 4.718 4.320 0.000 0.000 0.211 653 K C -3.516 172.849 176.600 -0.392 0.000 1.174 653 K CA -1.533 54.619 56.287 -0.224 0.000 0.978 653 K CB 0.864 33.278 32.500 -0.142 0.000 1.212 653 K HN -0.091 nan 8.250 nan 0.000 0.589 654 P HA 0.042 nan 4.420 nan 0.000 0.267 654 P C -0.085 176.948 177.300 -0.446 0.000 1.200 654 P CA -0.077 62.496 63.100 -0.880 0.000 0.772 654 P CB 1.073 32.484 31.700 -0.482 0.000 0.855 655 T N -0.999 113.370 114.554 -0.309 0.000 3.098 655 T HA 0.042 4.392 4.350 0.000 0.000 0.246 655 T C 0.635 175.404 174.700 0.114 0.000 0.983 655 T CA 0.150 62.253 62.100 0.004 0.000 1.094 655 T CB -0.188 68.746 68.868 0.110 0.000 1.035 655 T HN 0.413 nan 8.240 nan 0.000 0.456 656 N N 2.739 121.603 118.700 0.273 0.000 2.430 656 N HA 0.108 4.848 4.740 0.000 0.000 0.265 656 N C -2.233 173.379 175.510 0.170 0.000 1.100 656 N CA -1.478 51.695 53.050 0.205 0.000 0.961 656 N CB 1.809 40.413 38.487 0.195 0.000 1.075 656 N HN -0.005 nan 8.380 nan 0.000 0.478 657 P HA 0.001 nan 4.420 nan 0.000 0.226 657 P C 0.570 177.928 177.300 0.096 0.000 1.153 657 P CA 0.599 63.752 63.100 0.087 0.000 0.777 657 P CB 0.277 32.015 31.700 0.063 0.000 0.794 658 A N -0.804 122.078 122.820 0.103 0.000 2.123 658 A HA 0.164 4.484 4.320 0.000 0.000 0.214 658 A C 1.016 178.672 177.584 0.121 0.000 1.152 658 A CA 0.522 52.618 52.037 0.099 0.000 0.728 658 A CB -0.771 18.280 19.000 0.085 0.000 0.814 658 A HN 0.297 nan 8.150 nan 0.000 0.464 659 I N -5.383 115.278 120.570 0.150 0.000 2.722 659 I HA 0.512 4.682 4.170 0.000 0.000 0.295 659 I C 0.240 176.507 176.117 0.250 0.000 1.161 659 I CA -0.763 60.645 61.300 0.181 0.000 1.032 659 I CB 2.035 40.122 38.000 0.145 0.000 1.244 659 I HN -0.153 nan 8.210 nan 0.000 0.421 660 T N 0.809 115.507 114.554 0.241 0.000 3.087 660 T HA 0.138 4.488 4.350 0.000 0.000 0.237 660 T C -0.157 174.707 174.700 0.273 0.000 0.990 660 T CA 0.877 63.116 62.100 0.231 0.000 1.160 660 T CB -0.105 68.859 68.868 0.161 0.000 0.923 660 T HN 0.482 nan 8.240 nan 0.000 0.442 661 Y N 2.487 122.864 120.300 0.128 0.000 2.367 661 Y HA 0.615 5.166 4.550 0.000 0.000 0.342 661 Y C -0.016 175.886 175.900 0.003 0.000 0.979 661 Y CA -1.210 56.917 58.100 0.045 0.000 1.161 661 Y CB 0.292 38.755 38.460 0.004 0.000 1.155 661 Y HN 0.264 nan 8.280 nan 0.000 0.503 662 A N 4.795 127.567 122.820 -0.079 0.000 2.350 662 A HA 0.776 5.096 4.320 0.000 0.000 0.318 662 A C -1.951 175.465 177.584 -0.280 0.000 1.132 662 A CA -0.519 51.442 52.037 -0.126 0.000 0.811 662 A CB 0.889 19.656 19.000 -0.388 0.000 1.313 662 A HN 0.721 nan 8.150 nan 0.000 0.454 663 Y N -0.317 120.025 120.300 0.069 0.000 2.598 663 Y HA 0.644 5.194 4.550 0.000 0.000 0.340 663 Y C 0.223 176.126 175.900 0.005 0.000 1.038 663 Y CA -0.532 57.609 58.100 0.068 0.000 1.100 663 Y CB 2.124 40.652 38.460 0.114 0.000 1.281 663 Y HN 0.666 nan 8.280 nan 0.000 0.488 664 K N 0.157 120.668 120.400 0.185 0.000 2.324 664 K HA 0.619 4.939 4.320 0.000 0.000 0.253 664 K C -0.564 176.078 176.600 0.070 0.000 0.932 664 K CA -0.721 55.619 56.287 0.088 0.000 0.799 664 K CB 1.432 33.962 32.500 0.050 0.000 1.154 664 K HN 0.900 nan 8.250 nan 0.000 0.425 665 G N 4.485 113.312 108.800 0.044 0.000 2.393 665 G HA2 0.384 4.344 3.960 0.000 0.000 0.311 665 G HA3 0.384 4.344 3.960 0.000 0.000 0.311 665 G C -0.806 174.106 174.900 0.021 0.000 1.067 665 G CA -0.311 44.803 45.100 0.022 0.000 1.000 665 G HN 0.604 nan 8.290 nan 0.000 0.422 666 I N 0.992 121.574 120.570 0.019 0.000 3.133 666 I HA 0.591 4.761 4.170 0.000 0.000 0.311 666 I C -0.351 175.781 176.117 0.026 0.000 1.072 666 I CA -1.317 59.994 61.300 0.019 0.000 1.015 666 I CB 2.187 40.197 38.000 0.016 0.000 1.233 666 I HN 0.294 nan 8.210 nan 0.000 0.473 667 K N 2.579 122.993 120.400 0.024 0.000 2.156 667 K HA 0.818 5.138 4.320 0.000 0.000 0.254 667 K C -1.277 175.343 176.600 0.034 0.000 0.950 667 K CA -0.645 55.663 56.287 0.035 0.000 0.849 667 K CB 1.875 34.388 32.500 0.021 0.000 1.100 667 K HN 0.576 nan 8.250 nan 0.000 0.434 668 A N 1.786 124.644 122.820 0.064 0.000 2.527 668 A HA 0.694 5.014 4.320 0.000 0.000 0.293 668 A C -1.520 176.123 177.584 0.097 0.000 1.117 668 A CA -0.724 51.350 52.037 0.062 0.000 0.723 668 A CB 1.673 20.714 19.000 0.068 0.000 1.313 668 A HN 0.637 nan 8.150 nan 0.000 0.411 669 K N 1.052 121.496 120.400 0.072 0.000 2.656 669 K HA 0.432 4.753 4.320 0.000 0.000 0.253 669 K C -1.379 175.280 176.600 0.099 0.000 1.002 669 K CA -0.161 56.193 56.287 0.112 0.000 0.880 669 K CB 1.499 34.004 32.500 0.008 0.000 1.232 669 K HN 0.697 nan 8.250 nan 0.000 0.456 670 T N 4.309 118.962 114.554 0.166 0.000 2.817 670 T HA 0.271 4.621 4.350 0.000 0.000 0.293 670 T C -0.793 173.969 174.700 0.104 0.000 0.964 670 T CA -0.377 61.797 62.100 0.123 0.000 1.085 670 T CB 0.613 69.608 68.868 0.211 0.000 0.921 670 T HN 0.531 nan 8.240 nan 0.000 0.502 671 K N 1.453 121.849 120.400 -0.007 0.000 2.545 671 K HA 0.766 5.086 4.320 0.000 0.000 0.252 671 K C -0.372 176.062 176.600 -0.276 0.000 0.948 671 K CA -1.091 55.114 56.287 -0.137 0.000 0.827 671 K CB 1.930 34.432 32.500 0.005 0.000 1.128 671 K HN 0.712 nan 8.250 nan 0.000 0.429 672 G N 1.992 110.317 108.800 -0.791 0.000 2.606 672 G HA2 0.563 4.523 3.960 0.000 0.000 0.300 672 G HA3 0.563 4.523 3.960 0.000 0.000 0.300 672 G C -2.013 172.161 174.900 -1.210 0.000 1.360 672 G CA -0.884 43.745 45.100 -0.785 0.000 0.783 672 G HN 0.620 nan 8.290 nan 0.000 0.484 673 Y N -1.692 118.356 120.300 -0.420 0.000 2.609 673 Y HA 0.891 5.441 4.550 0.000 0.000 0.342 673 Y C -0.721 175.326 175.900 0.244 0.000 1.058 673 Y CA -1.468 56.603 58.100 -0.049 0.000 1.055 673 Y CB 2.108 40.696 38.460 0.214 0.000 1.292 673 Y HN 0.711 nan 8.280 nan 0.000 0.476 674 E N 0.894 121.421 120.200 0.546 0.000 2.321 674 E HA 0.770 5.120 4.350 0.000 0.000 0.278 674 E C -1.993 174.832 176.600 0.375 0.000 0.902 674 E CA -1.071 55.584 56.400 0.425 0.000 0.758 674 E CB 2.115 32.037 29.700 0.370 0.000 1.213 674 E HN 1.073 nan 8.360 nan 0.000 0.426 675 A N 3.987 127.009 122.820 0.337 0.000 2.375 675 A HA 0.616 4.936 4.320 0.000 0.000 0.295 675 A C -1.079 176.626 177.584 0.203 0.000 1.066 675 A CA -0.621 51.572 52.037 0.260 0.000 0.722 675 A CB 1.027 20.178 19.000 0.251 0.000 1.206 675 A HN 0.648 nan 8.150 nan 0.000 0.435 676 E N 1.697 121.992 120.200 0.159 0.000 2.446 676 E HA 0.835 5.185 4.350 0.000 0.000 0.276 676 E C -1.441 175.223 176.600 0.105 0.000 0.969 676 E CA -0.848 55.624 56.400 0.120 0.000 0.800 676 E CB 2.142 31.900 29.700 0.097 0.000 1.341 676 E HN 0.581 nan 8.360 nan 0.000 0.460 677 I N 0.985 121.605 120.570 0.083 0.000 2.775 677 I HA 0.436 4.606 4.170 0.000 0.000 0.295 677 I C -1.862 174.292 176.117 0.062 0.000 1.287 677 I CA -0.261 61.080 61.300 0.069 0.000 1.029 677 I CB 2.096 40.119 38.000 0.038 0.000 1.282 677 I HN 0.868 nan 8.210 nan 0.000 0.426 678 S N 4.722 120.460 115.700 0.063 0.000 2.537 678 S HA 1.010 5.480 4.470 0.000 0.000 0.270 678 S C -0.418 174.216 174.600 0.057 0.000 1.142 678 S CA 0.055 58.303 58.200 0.079 0.000 0.870 678 S CB 1.903 65.160 63.200 0.097 0.000 1.112 678 S HN 1.735 nan 8.310 nan 0.000 0.466 679 G N 1.458 110.292 108.800 0.058 0.000 2.341 679 G HA2 0.050 4.010 3.960 0.000 0.000 0.196 679 G HA3 0.050 4.010 3.960 0.000 0.000 0.196 679 G C -1.007 173.849 174.900 -0.074 0.000 1.231 679 G CA -0.298 44.805 45.100 0.005 0.000 1.155 679 G HN 1.076 nan 8.290 nan 0.000 0.529 680 E N -0.078 120.076 120.200 -0.077 0.000 2.259 680 E HA 0.505 4.855 4.350 0.000 0.000 0.281 680 E C 0.734 177.243 176.600 -0.152 0.000 1.037 680 E CA -0.518 55.822 56.400 -0.101 0.000 0.854 680 E CB 1.009 30.674 29.700 -0.057 0.000 1.051 680 E HN 0.414 nan 8.360 nan 0.000 0.409 681 L N 4.215 125.297 121.223 -0.234 0.000 2.425 681 L HA 0.434 4.774 4.340 0.000 0.000 0.215 681 L C -0.110 176.681 176.870 -0.133 0.000 1.065 681 L CA 0.774 55.401 54.840 -0.355 0.000 0.842 681 L CB 0.577 42.104 42.059 -0.885 0.000 1.033 681 L HN 0.617 nan 8.230 nan 0.000 0.474 682 A N -2.441 120.415 122.820 0.060 0.000 2.610 682 A HA 0.620 4.940 4.320 0.000 0.000 0.291 682 A C -2.210 175.460 177.584 0.143 0.000 1.086 682 A CA -0.818 51.334 52.037 0.191 0.000 0.677 682 A CB 0.085 19.353 19.000 0.446 0.000 1.278 682 A HN -0.133 nan 8.150 nan 0.000 0.414 683 P HA -0.236 nan 4.420 nan 0.000 0.221 683 P C 1.078 178.369 177.300 -0.015 0.000 1.107 683 P CA 2.834 65.950 63.100 0.027 0.000 0.986 683 P CB 0.120 31.833 31.700 0.021 0.000 0.774 684 G N -3.619 105.147 108.800 -0.057 0.000 4.291 684 G HA2 0.239 4.199 3.960 0.000 0.000 0.304 684 G HA3 0.239 4.199 3.960 0.000 0.000 0.304 684 G C -1.296 173.525 174.900 -0.132 0.000 1.264 684 G CA -0.137 44.855 45.100 -0.181 0.000 1.039 684 G HN 0.125 nan 8.290 nan 0.000 0.578 685 W N 1.820 123.035 121.300 -0.143 0.000 2.463 685 W HA 0.556 5.216 4.660 0.000 0.000 0.316 685 W C -0.841 175.641 176.519 -0.062 0.000 1.004 685 W CA -1.503 55.834 57.345 -0.014 0.000 1.309 685 W CB 1.167 30.726 29.460 0.165 0.000 1.288 685 W HN -0.034 nan 8.180 nan 0.000 0.423 686 Q N 3.570 123.420 119.800 0.084 0.000 2.266 686 Q HA 0.711 5.051 4.340 0.000 0.000 0.261 686 Q C -0.771 175.223 176.000 -0.010 0.000 0.985 686 Q CA -0.769 54.912 55.803 -0.204 0.000 0.873 686 Q CB 2.832 31.133 28.738 -0.729 0.000 1.306 686 Q HN 0.307 nan 8.270 nan 0.000 0.447 687 V N 1.004 120.955 119.914 0.061 0.000 2.925 687 V HA 0.525 4.645 4.120 0.000 0.000 0.311 687 V C -0.981 175.308 176.094 0.325 0.000 1.104 687 V CA -0.945 61.474 62.300 0.199 0.000 0.954 687 V CB 2.132 33.922 31.823 -0.056 0.000 1.022 687 V HN 0.702 nan 8.190 nan 0.000 0.427 688 Q N 1.767 121.743 119.800 0.293 0.000 2.269 688 Q HA 0.811 5.151 4.340 0.000 0.000 0.263 688 Q C -1.139 174.949 176.000 0.148 0.000 0.983 688 Q CA 0.143 56.062 55.803 0.194 0.000 0.777 688 Q CB 1.848 30.669 28.738 0.138 0.000 1.273 688 Q HN 1.461 nan 8.270 nan 0.000 0.440 689 A N 2.073 124.947 122.820 0.090 0.000 2.594 689 A HA 1.000 5.321 4.320 0.000 0.000 0.295 689 A C -0.875 176.745 177.584 0.060 0.000 1.071 689 A CA -0.145 51.919 52.037 0.046 0.000 0.685 689 A CB 1.777 20.790 19.000 0.022 0.000 1.285 689 A HN 0.994 nan 8.150 nan 0.000 0.405 690 G N -0.835 108.001 108.800 0.059 0.000 2.698 690 G HA2 0.584 4.544 3.960 0.000 0.000 0.293 690 G HA3 0.584 4.544 3.960 0.000 0.000 0.293 690 G C -2.134 172.854 174.900 0.147 0.000 1.437 690 G CA -0.413 44.746 45.100 0.099 0.000 0.852 690 G HN 1.408 nan 8.290 nan 0.000 0.499 691 Y N 0.640 120.977 120.300 0.062 0.000 2.391 691 Y HA 0.725 5.275 4.550 0.000 0.000 0.341 691 Y C -0.477 175.476 175.900 0.089 0.000 0.965 691 Y CA -0.485 57.660 58.100 0.075 0.000 1.067 691 Y CB 2.491 41.013 38.460 0.104 0.000 1.199 691 Y HN 0.573 nan 8.280 nan 0.000 0.450 692 T N 5.100 119.324 114.554 -0.549 0.000 2.881 692 T HA 0.255 4.605 4.350 0.000 0.000 0.290 692 T C -1.957 172.397 174.700 -0.577 0.000 1.000 692 T CA -0.603 61.285 62.100 -0.355 0.000 0.978 692 T CB 0.845 69.609 68.868 -0.173 0.000 0.997 692 T HN 0.693 nan 8.240 nan 0.000 0.443 693 H N 2.281 121.019 119.070 -0.553 0.000 2.547 693 H HA 0.670 5.226 4.556 0.000 0.000 0.342 693 H C -0.713 174.379 175.328 -0.393 0.000 1.048 693 H CA -0.709 55.006 56.048 -0.555 0.000 1.204 693 H CB 0.837 30.131 29.762 -0.779 0.000 1.493 693 H HN 0.614 nan 8.280 nan 0.000 0.511 694 K N 4.643 124.627 120.400 -0.693 0.000 2.502 694 K HA 0.548 4.868 4.320 0.000 0.000 0.257 694 K C -2.037 174.290 176.600 -0.455 0.000 0.938 694 K CA -0.686 55.338 56.287 -0.438 0.000 0.819 694 K CB 1.523 33.941 32.500 -0.137 0.000 1.333 694 K HN 0.524 nan 8.250 nan 0.000 0.434 695 I N 3.702 124.108 120.570 -0.274 0.000 2.548 695 I HA 0.425 4.595 4.170 0.000 0.000 0.287 695 I C -1.171 174.885 176.117 -0.102 0.000 1.103 695 I CA -0.961 60.235 61.300 -0.173 0.000 1.049 695 I CB 1.896 39.835 38.000 -0.102 0.000 1.232 695 I HN 0.747 nan 8.210 nan 0.000 0.429 696 I N 6.379 126.881 120.570 -0.114 0.000 2.433 696 I HA 0.553 4.723 4.170 0.000 0.000 0.292 696 I C -0.812 175.257 176.117 -0.080 0.000 1.001 696 I CA -0.355 60.884 61.300 -0.101 0.000 1.119 696 I CB 1.242 39.130 38.000 -0.186 0.000 1.289 696 I HN 0.635 nan 8.210 nan 0.000 0.438 697 R N 4.614 125.085 120.500 -0.047 0.000 2.854 697 R HA 0.369 4.709 4.340 0.000 0.000 0.271 697 R C -0.679 175.604 176.300 -0.028 0.000 0.994 697 R CA -0.808 55.273 56.100 -0.032 0.000 0.945 697 R CB 1.561 31.852 30.300 -0.014 0.000 1.194 697 R HN 0.615 nan 8.270 nan 0.000 0.476 698 D N 0.098 120.484 120.400 -0.023 0.000 2.080 698 D HA -0.069 4.571 4.640 0.000 0.000 0.267 698 D C 0.503 176.796 176.300 -0.012 0.000 1.165 698 D CA 0.574 54.564 54.000 -0.016 0.000 0.982 698 D CB 0.381 41.171 40.800 -0.017 0.000 1.172 698 D HN 0.475 nan 8.370 nan 0.000 0.503 699 D N -2.031 118.363 120.400 -0.010 0.000 2.479 699 D HA 0.019 4.659 4.640 0.000 0.000 0.216 699 D C 1.583 177.876 176.300 -0.012 0.000 1.110 699 D CA 0.336 54.329 54.000 -0.012 0.000 0.841 699 D CB 0.256 41.052 40.800 -0.006 0.000 1.040 699 D HN 0.166 nan 8.370 nan 0.000 0.505 700 S N -0.801 114.892 115.700 -0.012 0.000 2.395 700 S HA 0.232 4.702 4.470 0.000 0.000 0.225 700 S C 1.665 176.257 174.600 -0.013 0.000 1.027 700 S CA 0.891 59.083 58.200 -0.013 0.000 0.965 700 S CB 0.259 63.449 63.200 -0.016 0.000 0.812 700 S HN 0.302 nan 8.310 nan 0.000 0.482 701 G N 1.420 110.213 108.800 -0.012 0.000 2.247 701 G HA2 -0.068 3.892 3.960 0.000 0.000 0.111 701 G HA3 -0.068 3.892 3.960 0.000 0.000 0.111 701 G C -0.446 174.452 174.900 -0.004 0.000 1.045 701 G CA -0.233 44.862 45.100 -0.009 0.000 0.715 701 G HN 0.904 nan 8.290 nan 0.000 0.485 702 K N -0.191 120.205 120.400 -0.007 0.000 2.328 702 K HA 0.771 5.091 4.320 0.000 0.000 0.246 702 K C -0.102 176.499 176.600 0.002 0.000 0.955 702 K CA -1.202 55.087 56.287 0.002 0.000 0.817 702 K CB 2.018 34.512 32.500 -0.010 0.000 1.208 702 K HN 0.033 nan 8.250 nan 0.000 0.432 703 K N 1.736 122.154 120.400 0.029 0.000 2.322 703 K HA 0.218 4.538 4.320 0.000 0.000 0.283 703 K C -0.387 176.188 176.600 -0.041 0.000 1.042 703 K CA -0.677 55.615 56.287 0.007 0.000 0.958 703 K CB 1.221 33.769 32.500 0.080 0.000 0.984 703 K HN 0.380 nan 8.250 nan 0.000 0.473 704 V N 0.718 120.576 119.914 -0.094 0.000 3.096 704 V HA 0.168 4.288 4.120 0.000 0.000 0.319 704 V C 0.449 176.440 176.094 -0.172 0.000 1.103 704 V CA -1.007 61.224 62.300 -0.116 0.000 1.016 704 V CB 1.657 33.415 31.823 -0.109 0.000 1.090 704 V HN 0.961 nan 8.190 nan 0.000 0.449 705 S N 0.333 115.952 115.700 -0.134 0.000 3.549 705 S HA -0.204 4.266 4.470 0.000 0.000 0.366 705 S C 1.422 175.843 174.600 -0.298 0.000 1.012 705 S CA 1.058 59.188 58.200 -0.118 0.000 1.141 705 S CB -1.375 61.781 63.200 -0.074 0.000 0.910 705 S HN 1.312 nan 8.310 nan 0.000 0.471 706 T N -2.553 111.762 114.554 -0.399 0.000 2.977 706 T HA -0.137 4.213 4.350 0.000 0.000 0.271 706 T C 1.192 175.455 174.700 -0.730 0.000 1.105 706 T CA 0.975 62.569 62.100 -0.843 0.000 1.116 706 T CB -0.393 67.698 68.868 -1.295 0.000 0.878 706 T HN 0.781 nan 8.240 nan 0.000 0.509 707 W N 1.825 122.774 121.300 -0.586 0.000 2.518 707 W HA 0.180 4.840 4.660 0.000 0.000 0.273 707 W C 0.659 176.816 176.519 -0.603 0.000 1.247 707 W CA 0.056 57.116 57.345 -0.475 0.000 1.288 707 W CB 0.140 29.419 29.460 -0.302 0.000 1.107 707 W HN 0.317 nan 8.180 nan 0.000 0.586 708 E N 2.825 122.522 120.200 -0.839 0.000 2.217 708 E HA 0.078 4.428 4.350 0.000 0.000 0.279 708 E C -2.084 174.115 176.600 -0.670 0.000 1.068 708 E CA -2.097 53.735 56.400 -0.946 0.000 0.882 708 E CB 0.830 29.987 29.700 -0.904 0.000 1.039 708 E HN -0.175 nan 8.360 nan 0.000 0.418 709 P HA -0.062 nan 4.420 nan 0.000 0.269 709 P C -0.162 176.876 177.300 -0.436 0.000 1.209 709 P CA 0.319 63.107 63.100 -0.519 0.000 0.776 709 P CB 0.834 32.186 31.700 -0.579 0.000 0.876 710 Q N 0.253 119.845 119.800 -0.347 0.000 2.245 710 Q HA -0.001 4.339 4.340 0.000 0.000 0.201 710 Q C -0.009 175.771 176.000 -0.366 0.000 0.955 710 Q CA 1.067 56.664 55.803 -0.344 0.000 0.870 710 Q CB 0.233 28.840 28.738 -0.219 0.000 0.945 710 Q HN 0.559 nan 8.270 nan 0.000 0.461 711 D N 0.637 120.859 120.400 -0.295 0.000 2.649 711 D HA 0.194 4.834 4.640 0.000 0.000 0.249 711 D C -0.778 175.255 176.300 -0.445 0.000 1.112 711 D CA -0.182 53.665 54.000 -0.254 0.000 0.850 711 D CB 1.692 42.562 40.800 0.117 0.000 1.399 711 D HN 0.089 nan 8.370 nan 0.000 0.503 712 Q N 0.630 120.131 119.800 -0.498 0.000 2.379 712 Q HA 0.689 5.029 4.340 0.000 0.000 0.278 712 Q C -1.802 174.062 176.000 -0.227 0.000 1.068 712 Q CA -1.113 54.434 55.803 -0.426 0.000 0.816 712 Q CB 2.627 31.106 28.738 -0.431 0.000 1.387 712 Q HN 0.260 nan 8.270 nan 0.000 0.413 713 L N 1.276 122.495 121.223 -0.006 0.000 2.406 713 L HA 0.639 4.979 4.340 0.000 0.000 0.272 713 L C -1.576 175.278 176.870 -0.027 0.000 0.980 713 L CA 0.023 54.937 54.840 0.124 0.000 0.831 713 L CB 2.584 44.833 42.059 0.317 0.000 1.253 713 L HN 0.823 nan 8.230 nan 0.000 0.406 714 S N 5.283 120.948 115.700 -0.058 0.000 2.500 714 S HA 0.886 5.357 4.470 0.000 0.000 0.301 714 S C -1.308 173.141 174.600 -0.251 0.000 1.092 714 S CA -0.533 57.548 58.200 -0.197 0.000 1.030 714 S CB 1.889 65.024 63.200 -0.109 0.000 1.031 714 S HN 0.627 nan 8.310 nan 0.000 0.483 715 L N 2.853 123.738 121.223 -0.564 0.000 2.543 715 L HA 0.650 4.990 4.340 0.000 0.000 0.265 715 L C -2.428 174.026 176.870 -0.693 0.000 0.945 715 L CA -0.264 54.333 54.840 -0.405 0.000 0.869 715 L CB 1.102 43.080 42.059 -0.136 0.000 1.294 715 L HN 0.697 nan 8.230 nan 0.000 0.405 716 Y N 2.726 123.021 120.300 -0.009 0.000 2.386 716 Y HA 0.763 5.313 4.550 0.000 0.000 0.334 716 Y C 0.136 176.166 175.900 0.217 0.000 1.002 716 Y CA -0.655 57.435 58.100 -0.016 0.000 1.068 716 Y CB 2.513 40.772 38.460 -0.335 0.000 1.203 716 Y HN 0.651 nan 8.280 nan 0.000 0.443 717 T N 1.786 116.653 114.554 0.522 0.000 2.883 717 T HA 0.823 5.174 4.350 0.000 0.000 0.296 717 T C -1.260 173.827 174.700 0.645 0.000 1.117 717 T CA -0.629 61.821 62.100 0.582 0.000 1.006 717 T CB 1.215 70.385 68.868 0.502 0.000 1.191 717 T HN 0.719 nan 8.240 nan 0.000 0.508 718 S N 1.745 117.783 115.700 0.563 0.000 2.533 718 S HA 0.652 5.122 4.470 0.000 0.000 0.271 718 S C -1.902 172.892 174.600 0.324 0.000 1.143 718 S CA -0.807 57.613 58.200 0.367 0.000 0.891 718 S CB 1.429 64.799 63.200 0.283 0.000 1.105 718 S HN 0.744 nan 8.310 nan 0.000 0.468 719 Y N 1.849 122.133 120.300 -0.026 0.000 2.376 719 Y HA 0.605 5.155 4.550 0.000 0.000 0.340 719 Y C -0.647 175.084 175.900 -0.282 0.000 0.965 719 Y CA -0.720 57.239 58.100 -0.236 0.000 1.078 719 Y CB 1.448 39.565 38.460 -0.571 0.000 1.193 719 Y HN 0.688 nan 8.280 nan 0.000 0.452 720 K N 6.364 126.269 120.400 -0.826 0.000 2.211 720 K HA 0.237 4.557 4.320 0.000 0.000 0.275 720 K C -1.141 174.940 176.600 -0.865 0.000 1.024 720 K CA -0.358 55.567 56.287 -0.604 0.000 0.887 720 K CB 0.683 32.959 32.500 -0.375 0.000 1.084 720 K HN 0.576 nan 8.250 nan 0.000 0.463 721 F N 1.943 121.712 119.950 -0.302 0.000 2.450 721 F HA 0.163 4.690 4.527 0.000 0.000 0.339 721 F C 1.384 177.114 175.800 -0.118 0.000 1.146 721 F CA 0.302 58.232 58.000 -0.117 0.000 1.267 721 F CB 0.667 39.679 39.000 0.021 0.000 1.178 721 F HN 0.200 nan 8.300 nan 0.000 0.585 722 K N 0.618 121.130 120.400 0.187 0.000 2.168 722 K HA 0.657 4.977 4.320 0.000 0.000 0.239 722 K C 0.440 177.096 176.600 0.093 0.000 0.999 722 K CA -0.190 56.150 56.287 0.087 0.000 0.900 722 K CB 1.270 33.816 32.500 0.078 0.000 1.111 722 K HN 0.815 nan 8.250 nan 0.000 0.452 723 G N 0.315 109.142 108.800 0.046 0.000 2.562 723 G HA2 -0.335 3.625 3.960 0.000 0.000 0.250 723 G HA3 -0.335 3.625 3.960 0.000 0.000 0.250 723 G C 0.697 175.607 174.900 0.018 0.000 1.269 723 G CA 0.062 45.181 45.100 0.032 0.000 0.919 723 G HN 0.659 nan 8.290 nan 0.000 0.574 724 A N -0.496 122.331 122.820 0.013 0.000 2.131 724 A HA 0.225 4.545 4.320 0.000 0.000 0.220 724 A C 2.211 179.797 177.584 0.002 0.000 1.158 724 A CA 2.391 54.431 52.037 0.005 0.000 0.665 724 A CB -0.642 18.361 19.000 0.006 0.000 0.795 724 A HN 1.807 nan 8.150 nan 0.000 0.460 725 L N -2.482 118.743 121.223 0.003 0.000 2.984 725 L HA 0.376 4.716 4.340 0.000 0.000 0.246 725 L C 0.272 177.145 176.870 0.006 0.000 1.268 725 L CA 0.160 54.993 54.840 -0.010 0.000 1.054 725 L CB -0.111 41.906 42.059 -0.070 0.000 1.393 725 L HN 0.145 nan 8.230 nan 0.000 0.532 726 D N -0.789 119.606 120.400 -0.007 0.000 2.332 726 D HA -0.102 4.538 4.640 0.000 0.000 0.244 726 D C 1.102 177.343 176.300 -0.098 0.000 1.136 726 D CA 0.379 54.367 54.000 -0.020 0.000 0.884 726 D CB 0.129 40.910 40.800 -0.032 0.000 0.906 726 D HN 0.437 nan 8.370 nan 0.000 0.520 727 K N -0.780 119.512 120.400 -0.181 0.000 2.358 727 K HA 0.210 4.530 4.320 0.000 0.000 0.197 727 K C -0.207 176.108 176.600 -0.476 0.000 1.025 727 K CA -0.426 55.615 56.287 -0.410 0.000 1.104 727 K CB 0.631 32.739 32.500 -0.655 0.000 0.855 727 K HN 0.125 nan 8.250 nan 0.000 0.531 728 L N 0.750 121.884 121.223 -0.149 0.000 2.334 728 L HA 0.353 4.693 4.340 0.000 0.000 0.276 728 L C -1.044 175.955 176.870 0.216 0.000 1.014 728 L CA 0.112 54.989 54.840 0.061 0.000 0.815 728 L CB 2.011 44.132 42.059 0.103 0.000 1.268 728 L HN -0.132 nan 8.230 nan 0.000 0.428 729 T N 3.584 118.249 114.554 0.185 0.000 2.921 729 T HA 0.656 5.006 4.350 0.000 0.000 0.297 729 T C -1.105 173.697 174.700 0.171 0.000 1.013 729 T CA -0.510 61.677 62.100 0.144 0.000 0.990 729 T CB 1.676 70.555 68.868 0.018 0.000 1.023 729 T HN 0.312 nan 8.240 nan 0.000 0.447 730 V N 2.146 122.171 119.914 0.185 0.000 2.588 730 V HA 0.910 5.030 4.120 0.000 0.000 0.304 730 V C 0.396 176.563 176.094 0.122 0.000 1.042 730 V CA -0.332 62.071 62.300 0.172 0.000 0.877 730 V CB 1.887 33.877 31.823 0.278 0.000 0.996 730 V HN 1.138 nan 8.190 nan 0.000 0.425 731 G N 2.078 110.943 108.800 0.109 0.000 2.949 731 G HA2 0.926 4.886 3.960 0.000 0.000 0.285 731 G HA3 0.926 4.886 3.960 0.000 0.000 0.285 731 G C -0.517 174.537 174.900 0.256 0.000 1.395 731 G CA -0.308 44.899 45.100 0.177 0.000 0.901 731 G HN 1.226 nan 8.290 nan 0.000 0.519 732 G N -2.429 106.637 108.800 0.445 0.000 2.451 732 G HA2 0.721 4.681 3.960 0.000 0.000 0.292 732 G HA3 0.721 4.681 3.960 0.000 0.000 0.292 732 G C -0.831 174.360 174.900 0.484 0.000 1.427 732 G CA 0.390 45.752 45.100 0.436 0.000 0.792 732 G HN 1.621 nan 8.290 nan 0.000 0.498 733 G N -1.638 107.369 108.800 0.346 0.000 2.690 733 G HA2 0.916 4.876 3.960 0.000 0.000 0.293 733 G HA3 0.916 4.876 3.960 0.000 0.000 0.293 733 G C -1.067 173.868 174.900 0.059 0.000 1.399 733 G CA 0.315 45.533 45.100 0.198 0.000 0.890 733 G HN 1.881 nan 8.290 nan 0.000 0.485 734 A N 0.792 123.524 122.820 -0.147 0.000 2.414 734 A HA 0.813 5.133 4.320 0.000 0.000 0.286 734 A C -0.622 176.940 177.584 -0.036 0.000 1.073 734 A CA -0.731 51.334 52.037 0.046 0.000 0.727 734 A CB 1.805 20.890 19.000 0.141 0.000 1.215 734 A HN 0.956 nan 8.150 nan 0.000 0.430 735 R N 1.762 122.299 120.500 0.061 0.000 2.480 735 R HA 0.668 5.008 4.340 0.000 0.000 0.306 735 R C -1.705 174.512 176.300 -0.138 0.000 0.958 735 R CA -0.336 55.713 56.100 -0.086 0.000 0.861 735 R CB 0.881 31.117 30.300 -0.107 0.000 1.171 735 R HN 0.833 nan 8.270 nan 0.000 0.445 736 W N 5.639 126.581 121.300 -0.597 0.000 2.915 736 W HA 0.430 5.091 4.660 0.000 0.000 0.337 736 W C -1.555 174.512 176.519 -0.754 0.000 1.102 736 W CA -0.425 56.315 57.345 -1.008 0.000 1.224 736 W CB 1.717 30.107 29.460 -1.783 0.000 1.416 736 W HN 0.735 nan 8.180 nan 0.000 0.503 737 Q N 4.258 122.974 119.800 -1.807 0.000 2.421 737 Q HA 0.724 5.065 4.340 0.000 0.000 0.280 737 Q C -0.151 174.639 176.000 -2.016 0.000 1.085 737 Q CA -1.116 53.670 55.803 -1.695 0.000 0.807 737 Q CB 2.033 30.121 28.738 -1.083 0.000 1.405 737 Q HN 0.669 nan 8.270 nan 0.000 0.419 738 G N 1.473 109.377 108.800 -1.493 0.000 2.651 738 G HA2 0.237 4.197 3.960 0.000 0.000 0.260 738 G HA3 0.237 4.197 3.960 0.000 0.000 0.260 738 G C -0.619 173.986 174.900 -0.492 0.000 1.216 738 G CA -0.788 43.804 45.100 -0.847 0.000 0.913 738 G HN 0.553 nan 8.290 nan 0.000 0.535 739 K N -0.120 120.162 120.400 -0.197 0.000 2.485 739 K HA 0.313 4.633 4.320 0.000 0.000 0.277 739 K C 0.418 177.023 176.600 0.008 0.000 0.990 739 K CA 0.345 56.613 56.287 -0.032 0.000 0.994 739 K CB 0.629 33.185 32.500 0.093 0.000 0.906 739 K HN 0.573 nan 8.250 nan 0.000 0.488 740 S N 1.379 117.092 115.700 0.022 0.000 2.632 740 S HA 0.770 5.241 4.470 0.000 0.000 0.289 740 S C -1.472 173.356 174.600 0.381 0.000 1.115 740 S CA -1.142 57.047 58.200 -0.019 0.000 0.889 740 S CB 1.011 63.899 63.200 -0.520 0.000 1.116 740 S HN 0.782 nan 8.310 nan 0.000 0.486 741 W N -0.210 121.221 121.300 0.219 0.000 3.118 741 W HA 0.783 5.443 4.660 0.000 0.000 0.328 741 W C -1.697 175.002 176.519 0.301 0.000 1.239 741 W CA -0.734 56.788 57.345 0.295 0.000 1.176 741 W CB 1.049 30.604 29.460 0.158 0.000 1.433 741 W HN 0.625 nan 8.180 nan 0.000 0.562 742 Q N 2.109 122.135 119.800 0.376 0.000 2.372 742 Q HA 0.429 4.769 4.340 0.000 0.000 0.273 742 Q C -1.403 174.791 176.000 0.324 0.000 1.078 742 Q CA -1.212 54.701 55.803 0.184 0.000 0.806 742 Q CB 2.711 31.415 28.738 -0.057 0.000 1.332 742 Q HN 0.784 nan 8.270 nan 0.000 0.435 743 M N 3.039 122.811 119.600 0.288 0.000 2.084 743 M HA 0.302 4.782 4.480 0.000 0.000 0.351 743 M C -0.674 175.877 176.300 0.419 0.000 1.240 743 M CA -0.449 55.056 55.300 0.342 0.000 1.083 743 M CB 0.668 33.391 32.600 0.204 0.000 1.593 743 M HN 0.374 nan 8.290 nan 0.000 0.463 744 V N 3.880 124.105 119.914 0.519 0.000 2.919 744 V HA 0.610 4.730 4.120 0.000 0.000 0.316 744 V C -1.709 174.680 176.094 0.491 0.000 1.077 744 V CA -0.828 61.742 62.300 0.451 0.000 0.977 744 V CB 1.855 33.795 31.823 0.196 0.000 1.039 744 V HN 0.719 nan 8.190 nan 0.000 0.441 745 Y N 3.651 123.921 120.300 -0.051 0.000 2.335 745 Y HA 0.493 5.043 4.550 0.000 0.000 0.339 745 Y C 0.317 176.062 175.900 -0.258 0.000 0.987 745 Y CA -0.614 57.169 58.100 -0.529 0.000 1.140 745 Y CB 1.133 38.895 38.460 -1.162 0.000 1.173 745 Y HN 0.913 nan 8.280 nan 0.000 0.486 746 N N 5.698 123.906 118.700 -0.820 0.000 2.401 746 N HA -0.007 4.733 4.740 0.000 0.000 0.255 746 N C 0.395 175.257 175.510 -1.079 0.000 1.110 746 N CA 0.381 52.837 53.050 -0.989 0.000 0.949 746 N CB 0.389 38.227 38.487 -1.081 0.000 1.110 746 N HN 0.931 nan 8.380 nan 0.000 0.490 747 N N 4.189 122.496 118.700 -0.656 0.000 2.173 747 N HA 0.001 4.741 4.740 0.000 0.000 0.184 747 N C -1.149 174.144 175.510 -0.362 0.000 1.025 747 N CA 0.799 53.609 53.050 -0.400 0.000 0.852 747 N CB -0.255 38.131 38.487 -0.168 0.000 0.998 747 N HN 0.462 nan 8.380 nan 0.000 0.427 748 P HA -0.065 nan 4.420 nan 0.000 0.216 748 P C 0.706 177.828 177.300 -0.296 0.000 1.150 748 P CA 1.381 64.303 63.100 -0.297 0.000 0.837 748 P CB 0.027 31.551 31.700 -0.293 0.000 0.786 749 R N -1.542 118.721 120.500 -0.396 0.000 2.393 749 R HA 0.249 4.589 4.340 0.000 0.000 0.244 749 R C 0.168 176.260 176.300 -0.347 0.000 0.920 749 R CA 0.055 55.954 56.100 -0.335 0.000 1.076 749 R CB -0.120 29.975 30.300 -0.341 0.000 1.119 749 R HN -0.052 nan 8.270 nan 0.000 0.524 750 S N 1.573 117.009 115.700 -0.441 0.000 3.550 750 S HA -0.207 4.263 4.470 0.000 0.000 0.372 750 S C -0.418 173.955 174.600 -0.379 0.000 0.966 750 S CA 1.190 59.162 58.200 -0.380 0.000 1.229 750 S CB -1.111 62.016 63.200 -0.123 0.000 0.917 750 S HN 0.597 nan 8.310 nan 0.000 0.496 751 R N -1.718 118.362 120.500 -0.700 0.000 2.668 751 R HA 0.625 4.965 4.340 0.000 0.000 0.272 751 R C -1.325 174.713 176.300 -0.437 0.000 1.019 751 R CA -1.185 54.697 56.100 -0.362 0.000 0.894 751 R CB 0.685 30.873 30.300 -0.188 0.000 1.228 751 R HN 0.160 nan 8.270 nan 0.000 0.460 752 W N 1.614 122.948 121.300 0.058 0.000 2.266 752 W HA 0.304 4.964 4.660 0.000 0.000 0.317 752 W C 0.175 176.737 176.519 0.072 0.000 1.310 752 W CA 0.116 57.549 57.345 0.146 0.000 1.207 752 W CB 1.051 30.624 29.460 0.188 0.000 1.199 752 W HN 0.428 nan 8.180 nan 0.000 0.544 753 E N 1.947 122.368 120.200 0.368 0.000 2.277 753 E HA 0.304 4.654 4.350 0.000 0.000 0.266 753 E C -1.002 175.786 176.600 0.315 0.000 0.901 753 E CA -1.326 55.230 56.400 0.259 0.000 0.782 753 E CB 2.218 32.067 29.700 0.248 0.000 1.228 753 E HN 0.214 nan 8.360 nan 0.000 0.424 754 K N 2.074 122.552 120.400 0.130 0.000 2.185 754 K HA 0.385 4.705 4.320 0.000 0.000 0.269 754 K C -1.486 175.112 176.600 -0.003 0.000 0.987 754 K CA -0.357 56.017 56.287 0.145 0.000 0.865 754 K CB 0.579 33.109 32.500 0.051 0.000 1.090 754 K HN 0.273 nan 8.250 nan 0.000 0.450 755 F N 1.637 121.672 119.950 0.141 0.000 2.477 755 F HA 0.323 4.850 4.527 0.000 0.000 0.335 755 F C -0.280 175.638 175.800 0.196 0.000 1.130 755 F CA -0.442 57.616 58.000 0.096 0.000 0.948 755 F CB 2.222 41.213 39.000 -0.015 0.000 1.154 755 F HN 0.338 nan 8.300 nan 0.000 0.439 756 S N 2.310 118.198 115.700 0.314 0.000 2.513 756 S HA 0.518 4.988 4.470 0.000 0.000 0.299 756 S C -1.052 173.761 174.600 0.356 0.000 1.087 756 S CA -0.783 57.626 58.200 0.349 0.000 1.012 756 S CB 1.870 65.196 63.200 0.211 0.000 1.044 756 S HN 0.509 nan 8.310 nan 0.000 0.485 757 Q N 2.310 122.355 119.800 0.408 0.000 2.333 757 Q HA 0.323 4.663 4.340 0.000 0.000 0.265 757 Q C -0.431 175.717 176.000 0.247 0.000 0.989 757 Q CA -0.354 55.666 55.803 0.360 0.000 0.842 757 Q CB 0.693 29.688 28.738 0.428 0.000 1.262 757 Q HN 0.514 nan 8.270 nan 0.000 0.451 758 E N 2.148 122.482 120.200 0.225 0.000 2.425 758 E HA 0.000 4.350 4.350 0.000 0.000 0.258 758 E C -0.481 176.221 176.600 0.170 0.000 1.151 758 E CA 0.111 56.617 56.400 0.176 0.000 0.958 758 E CB 0.429 30.233 29.700 0.174 0.000 0.968 758 E HN 0.807 nan 8.360 nan 0.000 0.451 759 D N 1.171 121.616 120.400 0.073 0.000 2.455 759 D HA -0.005 4.635 4.640 0.000 0.000 0.241 759 D C -0.250 176.078 176.300 0.047 0.000 1.138 759 D CA 0.321 54.262 54.000 -0.098 0.000 0.877 759 D CB 0.080 40.879 40.800 -0.002 0.000 1.187 759 D HN 0.314 nan 8.370 nan 0.000 0.451 760 Y N -1.708 118.424 120.300 -0.281 0.000 2.562 760 Y HA 0.621 5.171 4.550 0.000 0.000 0.345 760 Y C -1.525 174.251 175.900 -0.207 0.000 1.045 760 Y CA -1.813 56.204 58.100 -0.138 0.000 1.028 760 Y CB 0.685 39.056 38.460 -0.148 0.000 1.297 760 Y HN 0.309 nan 8.280 nan 0.000 0.463 761 W N 2.630 123.997 121.300 0.113 0.000 2.436 761 W HA 0.762 5.422 4.660 0.000 0.000 0.347 761 W C -1.120 175.423 176.519 0.040 0.000 1.136 761 W CA -0.795 56.585 57.345 0.059 0.000 1.286 761 W CB 1.635 31.122 29.460 0.045 0.000 1.253 761 W HN 0.472 nan 8.180 nan 0.000 0.617 762 L N 3.106 124.507 121.223 0.296 0.000 2.504 762 L HA 0.400 4.740 4.340 0.000 0.000 0.265 762 L C -1.012 176.007 176.870 0.248 0.000 0.975 762 L CA -0.752 54.217 54.840 0.215 0.000 0.864 762 L CB 1.107 43.224 42.059 0.096 0.000 1.212 762 L HN 0.050 nan 8.230 nan 0.000 0.416 763 V N 2.416 122.507 119.914 0.294 0.000 2.483 763 V HA 0.510 4.630 4.120 0.000 0.000 0.295 763 V C -0.487 175.757 176.094 0.250 0.000 1.035 763 V CA -0.575 61.895 62.300 0.283 0.000 0.896 763 V CB 1.999 34.048 31.823 0.378 0.000 0.986 763 V HN 0.729 nan 8.190 nan 0.000 0.447 764 D N 4.341 124.884 120.400 0.239 0.000 2.601 764 D HA 0.676 5.316 4.640 0.000 0.000 0.230 764 D C -1.201 175.242 176.300 0.238 0.000 1.106 764 D CA -0.575 53.567 54.000 0.237 0.000 0.873 764 D CB 2.956 43.940 40.800 0.305 0.000 1.515 764 D HN 0.301 nan 8.370 nan 0.000 0.468 765 L N 0.267 121.598 121.223 0.180 0.000 2.350 765 L HA 0.637 4.977 4.340 0.000 0.000 0.260 765 L C -0.387 176.552 176.870 0.116 0.000 1.015 765 L CA -0.914 54.017 54.840 0.152 0.000 0.821 765 L CB 2.523 44.629 42.059 0.078 0.000 1.370 765 L HN 0.362 nan 8.230 nan 0.000 0.416 766 M N 2.029 121.685 119.600 0.093 0.000 2.365 766 M HA 0.771 5.251 4.480 0.000 0.000 0.287 766 M C -2.244 174.065 176.300 0.014 0.000 1.154 766 M CA -0.252 55.057 55.300 0.014 0.000 0.941 766 M CB 2.365 34.925 32.600 -0.066 0.000 1.704 766 M HN 0.750 nan 8.290 nan 0.000 0.479 767 A N 4.598 127.415 122.820 -0.004 0.000 2.520 767 A HA 0.920 5.240 4.320 0.000 0.000 0.298 767 A C -1.508 176.098 177.584 0.037 0.000 1.051 767 A CA -0.716 51.345 52.037 0.039 0.000 0.690 767 A CB 2.080 21.114 19.000 0.056 0.000 1.281 767 A HN 0.837 nan 8.150 nan 0.000 0.402 768 R N 1.231 121.775 120.500 0.073 0.000 2.698 768 R HA 0.536 4.876 4.340 0.000 0.000 0.275 768 R C -2.475 173.914 176.300 0.149 0.000 1.001 768 R CA -0.453 55.694 56.100 0.078 0.000 0.896 768 R CB 1.875 32.183 30.300 0.013 0.000 1.218 768 R HN 0.835 nan 8.270 nan 0.000 0.462 769 Y N 1.495 121.801 120.300 0.011 0.000 2.442 769 Y HA 0.234 4.784 4.550 0.000 0.000 0.344 769 Y C -0.567 175.332 175.900 -0.001 0.000 0.976 769 Y CA -0.625 57.480 58.100 0.008 0.000 1.040 769 Y CB 2.097 40.562 38.460 0.009 0.000 1.228 769 Y HN 0.509 nan 8.280 nan 0.000 0.451 770 Q N 5.713 125.278 119.800 -0.392 0.000 2.490 770 Q HA 0.340 4.680 4.340 0.000 0.000 0.226 770 Q C -0.179 175.722 176.000 -0.165 0.000 1.132 770 Q CA 0.331 55.993 55.803 -0.236 0.000 0.928 770 Q CB -0.100 28.489 28.738 -0.249 0.000 1.299 770 Q HN 0.866 nan 8.270 nan 0.000 0.528 771 I N 0.588 121.225 120.570 0.110 0.000 2.087 771 I HA -0.226 3.944 4.170 0.000 0.000 0.231 771 I C 1.677 177.863 176.117 0.116 0.000 1.058 771 I CA 1.092 62.545 61.300 0.256 0.000 1.328 771 I CB -0.507 37.621 38.000 0.215 0.000 1.079 771 I HN 0.440 nan 8.210 nan 0.000 0.397 772 T N -1.383 113.202 114.554 0.052 0.000 2.735 772 T HA -0.134 4.216 4.350 0.000 0.000 0.256 772 T C 1.238 175.918 174.700 -0.035 0.000 1.042 772 T CA 1.934 64.043 62.100 0.016 0.000 1.147 772 T CB 0.025 68.898 68.868 0.009 0.000 0.865 772 T HN 0.514 nan 8.240 nan 0.000 0.421 773 D N -2.019 118.327 120.400 -0.089 0.000 4.220 773 D HA -0.029 4.612 4.640 0.000 0.000 0.292 773 D C 1.125 177.313 176.300 -0.186 0.000 0.392 773 D CA 0.411 54.341 54.000 -0.116 0.000 0.705 773 D CB -0.646 40.098 40.800 -0.094 0.000 1.582 773 D HN 0.210 nan 8.370 nan 0.000 0.126 774 K N -0.454 119.781 120.400 -0.275 0.000 2.403 774 K HA 0.288 4.608 4.320 0.000 0.000 0.199 774 K C 0.128 176.500 176.600 -0.380 0.000 1.199 774 K CA -0.250 55.762 56.287 -0.459 0.000 0.924 774 K CB 1.419 33.398 32.500 -0.869 0.000 1.137 774 K HN -0.069 nan 8.250 nan 0.000 0.510 775 L N 2.020 123.106 121.223 -0.228 0.000 2.305 775 L HA 0.234 4.574 4.340 0.000 0.000 0.281 775 L C -0.413 176.465 176.870 0.012 0.000 1.085 775 L CA 0.196 55.022 54.840 -0.023 0.000 0.813 775 L CB 1.133 43.268 42.059 0.128 0.000 1.157 775 L HN 0.116 nan 8.230 nan 0.000 0.436 776 S N 3.575 119.299 115.700 0.039 0.000 2.599 776 S HA 0.997 5.467 4.470 0.000 0.000 0.287 776 S C -0.829 173.825 174.600 0.090 0.000 1.105 776 S CA -0.381 57.850 58.200 0.052 0.000 0.899 776 S CB 1.842 65.041 63.200 -0.000 0.000 1.100 776 S HN 1.002 nan 8.310 nan 0.000 0.482 777 A N 1.178 124.065 122.820 0.112 0.000 2.475 777 A HA 0.936 5.256 4.320 0.000 0.000 0.301 777 A C -0.300 177.347 177.584 0.106 0.000 1.059 777 A CA -0.582 51.527 52.037 0.120 0.000 0.710 777 A CB 1.581 20.664 19.000 0.138 0.000 1.288 777 A HN 1.874 nan 8.150 nan 0.000 0.408 778 S N -0.223 115.530 115.700 0.088 0.000 2.588 778 S HA 0.802 5.273 4.470 0.000 0.000 0.275 778 S C -1.240 173.354 174.600 -0.011 0.000 1.130 778 S CA -0.646 57.576 58.200 0.036 0.000 0.855 778 S CB 1.435 64.631 63.200 -0.008 0.000 1.116 778 S HN 2.004 nan 8.310 nan 0.000 0.472 779 V N 1.627 121.481 119.914 -0.100 0.000 2.638 779 V HA 0.631 4.751 4.120 0.000 0.000 0.306 779 V C -1.594 174.357 176.094 -0.237 0.000 1.052 779 V CA -0.643 61.467 62.300 -0.317 0.000 0.885 779 V CB 1.798 33.395 31.823 -0.376 0.000 0.999 779 V HN 0.989 nan 8.190 nan 0.000 0.424 780 N N 4.035 122.569 118.700 -0.278 0.000 2.342 780 N HA 0.608 5.348 4.740 0.000 0.000 0.293 780 N C -1.343 174.075 175.510 -0.155 0.000 1.026 780 N CA -0.218 52.750 53.050 -0.137 0.000 0.857 780 N CB 2.239 40.691 38.487 -0.058 0.000 1.256 780 N HN 0.498 nan 8.380 nan 0.000 0.484 781 V N 3.012 122.889 119.914 -0.062 0.000 2.349 781 V HA 0.353 4.473 4.120 0.000 0.000 0.284 781 V C -0.274 175.842 176.094 0.036 0.000 1.014 781 V CA -0.891 61.378 62.300 -0.052 0.000 0.826 781 V CB 0.892 32.675 31.823 -0.067 0.000 1.009 781 V HN 0.561 nan 8.190 nan 0.000 0.431 782 N N 3.490 122.218 118.700 0.047 0.000 2.487 782 N HA 0.380 5.120 4.740 0.000 0.000 0.292 782 N C 0.295 175.875 175.510 0.117 0.000 1.108 782 N CA -0.687 52.435 53.050 0.120 0.000 0.956 782 N CB 0.411 38.984 38.487 0.145 0.000 1.176 782 N HN 0.652 nan 8.380 nan 0.000 0.484 783 N N 0.662 119.465 118.700 0.170 0.000 2.688 783 N HA -0.163 4.577 4.740 0.000 0.000 0.258 783 N C 0.306 175.894 175.510 0.130 0.000 1.016 783 N CA 0.098 53.261 53.050 0.189 0.000 0.747 783 N CB -0.868 37.743 38.487 0.207 0.000 0.895 783 N HN 0.434 nan 8.380 nan 0.000 0.543 784 V N -0.339 119.630 119.914 0.091 0.000 2.380 784 V HA -0.264 3.856 4.120 0.000 0.000 0.251 784 V C 1.752 177.726 176.094 -0.200 0.000 1.063 784 V CA 2.239 64.478 62.300 -0.102 0.000 1.055 784 V CB -0.581 31.108 31.823 -0.223 0.000 0.657 784 V HN 0.490 nan 8.190 nan 0.000 0.455 785 F N -0.390 119.604 119.950 0.073 0.000 2.692 785 F HA 0.266 4.793 4.527 0.000 0.000 0.303 785 F C 1.057 176.904 175.800 0.078 0.000 1.114 785 F CA 0.252 58.293 58.000 0.069 0.000 1.361 785 F CB -0.503 38.540 39.000 0.072 0.000 1.063 785 F HN 0.178 nan 8.300 nan 0.000 0.550 786 D N 1.505 122.020 120.400 0.191 0.000 2.686 786 D HA -0.279 4.361 4.640 0.000 0.000 0.235 786 D C 0.219 176.621 176.300 0.169 0.000 1.160 786 D CA 0.420 54.507 54.000 0.144 0.000 0.645 786 D CB -0.691 40.163 40.800 0.090 0.000 1.039 786 D HN 0.135 nan 8.370 nan 0.000 0.423 787 K N 0.609 121.147 120.400 0.231 0.000 2.412 787 K HA 0.236 4.556 4.320 0.000 0.000 0.284 787 K C -0.162 176.593 176.600 0.258 0.000 1.046 787 K CA 0.128 56.557 56.287 0.236 0.000 0.999 787 K CB 0.496 33.137 32.500 0.236 0.000 0.941 787 K HN 0.209 nan 8.250 nan 0.000 0.474 788 T N 3.404 118.045 114.554 0.146 0.000 2.728 788 T HA 0.447 4.797 4.350 0.000 0.000 0.296 788 T C -0.529 174.203 174.700 0.055 0.000 0.940 788 T CA -0.567 61.556 62.100 0.039 0.000 1.013 788 T CB -0.190 68.659 68.868 -0.033 0.000 0.912 788 T HN 0.546 nan 8.240 nan 0.000 0.484 789 Y N 0.675 120.857 120.300 -0.198 0.000 2.670 789 Y HA 0.727 5.277 4.550 0.000 0.000 0.334 789 Y C -1.951 173.750 175.900 -0.333 0.000 1.185 789 Y CA -2.357 55.526 58.100 -0.362 0.000 1.053 789 Y CB 0.861 38.952 38.460 -0.616 0.000 1.298 789 Y HN 0.485 nan 8.280 nan 0.000 0.459 790 Y N 0.090 120.403 120.300 0.022 0.000 2.419 790 Y HA 0.506 5.056 4.550 0.000 0.000 0.328 790 Y C 1.094 177.111 175.900 0.195 0.000 1.162 790 Y CA -0.152 57.956 58.100 0.012 0.000 1.174 790 Y CB 2.329 40.825 38.460 0.060 0.000 1.228 790 Y HN 0.780 nan 8.280 nan 0.000 0.473 791 T N -2.856 111.903 114.554 0.341 0.000 3.003 791 T HA 0.240 4.590 4.350 0.000 0.000 0.261 791 T C -0.162 174.842 174.700 0.506 0.000 1.003 791 T CA -0.100 62.249 62.100 0.415 0.000 0.917 791 T CB -0.128 68.870 68.868 0.216 0.000 1.084 791 T HN 0.531 nan 8.240 nan 0.000 0.522 792 N N -0.139 118.678 118.700 0.195 0.000 2.431 792 N HA 0.430 5.170 4.740 0.000 0.000 0.275 792 N C -0.585 174.533 175.510 -0.653 0.000 1.091 792 N CA -0.784 52.076 53.050 -0.317 0.000 0.922 792 N CB 1.031 39.388 38.487 -0.217 0.000 1.666 792 N HN -0.067 nan 8.380 nan 0.000 0.484 793 I N 0.949 120.872 120.570 -1.078 0.000 4.518 793 I HA 0.330 4.500 4.170 0.000 0.000 0.247 793 I C 2.170 177.916 176.117 -0.617 0.000 0.994 793 I CA 0.479 61.264 61.300 -0.859 0.000 2.009 793 I CB -1.172 36.301 38.000 -0.878 0.000 1.547 793 I HN 0.729 nan 8.210 nan 0.000 0.463 794 G N 1.352 109.828 108.800 -0.540 0.000 2.537 794 G HA2 -0.277 3.683 3.960 0.000 0.000 0.220 794 G HA3 -0.277 3.683 3.960 0.000 0.000 0.220 794 G C 0.674 175.456 174.900 -0.198 0.000 1.111 794 G CA 0.062 44.976 45.100 -0.309 0.000 0.748 794 G HN 0.225 nan 8.290 nan 0.000 0.564 795 F N 1.323 121.085 119.950 -0.313 0.000 2.516 795 F HA 0.320 4.847 4.527 0.000 0.000 0.351 795 F C 0.083 175.822 175.800 -0.102 0.000 1.208 795 F CA -1.112 56.773 58.000 -0.191 0.000 1.073 795 F CB -0.757 38.205 39.000 -0.063 0.000 1.203 795 F HN 0.279 nan 8.300 nan 0.000 0.602 796 Y N 2.919 122.911 120.300 -0.514 0.000 3.477 796 Y HA -0.322 4.228 4.550 0.000 0.000 0.216 796 Y C 1.116 176.815 175.900 -0.335 0.000 1.296 796 Y CA 0.669 58.472 58.100 -0.494 0.000 1.535 796 Y CB -2.510 35.513 38.460 -0.730 0.000 1.482 796 Y HN 0.748 nan 8.280 nan 0.000 0.597 797 T N -1.809 112.627 114.554 -0.197 0.000 4.096 797 T HA -0.186 4.164 4.350 0.000 0.000 0.343 797 T C 0.372 174.895 174.700 -0.295 0.000 0.756 797 T CA 0.894 62.862 62.100 -0.221 0.000 1.914 797 T CB -1.672 67.138 68.868 -0.097 0.000 1.873 797 T HN 1.091 nan 8.240 nan 0.000 0.850 798 S N -0.818 114.690 115.700 -0.319 0.000 2.801 798 S HA 0.958 5.428 4.470 0.000 0.000 0.312 798 S C -0.335 173.924 174.600 -0.568 0.000 1.112 798 S CA -0.365 57.613 58.200 -0.371 0.000 0.943 798 S CB 2.596 65.671 63.200 -0.208 0.000 1.269 798 S HN 1.545 nan 8.310 nan 0.000 0.558 799 A N -0.076 122.290 122.820 -0.756 0.000 2.594 799 A HA 0.807 5.127 4.320 0.000 0.000 0.295 799 A C -0.951 176.216 177.584 -0.695 0.000 1.071 799 A CA -0.696 50.820 52.037 -0.868 0.000 0.685 799 A CB 1.470 19.756 19.000 -1.190 0.000 1.285 799 A HN 0.887 nan 8.150 nan 0.000 0.405 800 S N 0.115 115.606 115.700 -0.349 0.000 2.619 800 S HA 0.593 5.063 4.470 0.000 0.000 0.280 800 S C -1.333 173.311 174.600 0.073 0.000 1.150 800 S CA -0.289 57.862 58.200 -0.081 0.000 0.978 800 S CB 0.586 63.765 63.200 -0.035 0.000 1.041 800 S HN 0.491 nan 8.310 nan 0.000 0.485 801 Y N 1.346 121.780 120.300 0.224 0.000 2.299 801 Y HA 0.526 5.076 4.550 0.000 0.000 0.335 801 Y C 1.317 177.131 175.900 -0.143 0.000 1.287 801 Y CA 0.322 58.444 58.100 0.038 0.000 1.424 801 Y CB 0.524 39.039 38.460 0.092 0.000 1.326 801 Y HN 0.744 nan 8.280 nan 0.000 0.567 802 G N 0.181 108.733 108.800 -0.414 0.000 2.437 802 G HA2 0.231 4.191 3.960 0.000 0.000 0.319 802 G HA3 0.231 4.191 3.960 0.000 0.000 0.319 802 G C -1.216 173.408 174.900 -0.460 0.000 1.158 802 G CA -0.798 43.910 45.100 -0.653 0.000 0.899 802 G HN 0.500 nan 8.290 nan 0.000 0.502 803 D N 1.674 121.966 120.400 -0.181 0.000 2.472 803 D HA 0.178 4.818 4.640 0.000 0.000 0.248 803 D C -1.505 174.720 176.300 -0.125 0.000 1.174 803 D CA -0.341 53.538 54.000 -0.203 0.000 0.883 803 D CB 1.183 42.066 40.800 0.140 0.000 1.149 803 D HN 0.022 nan 8.370 nan 0.000 0.488 804 P HA 0.032 nan 4.420 nan 0.000 0.285 804 P C 0.176 177.543 177.300 0.113 0.000 1.282 804 P CA -0.542 62.532 63.100 -0.043 0.000 0.778 804 P CB 0.488 32.160 31.700 -0.047 0.000 1.222 805 R N 1.064 121.617 120.500 0.088 0.000 2.638 805 R HA 0.023 4.363 4.340 0.000 0.000 0.268 805 R C -0.333 175.937 176.300 -0.050 0.000 1.006 805 R CA 0.774 56.895 56.100 0.036 0.000 1.088 805 R CB -0.288 30.016 30.300 0.006 0.000 0.950 805 R HN 0.452 nan 8.270 nan 0.000 0.419 806 N N 3.008 121.661 118.700 -0.078 0.000 2.225 806 N HA 0.444 5.184 4.740 0.000 0.000 0.298 806 N C -1.442 173.967 175.510 -0.168 0.000 1.076 806 N CA -0.545 52.400 53.050 -0.176 0.000 0.792 806 N CB 1.865 40.321 38.487 -0.051 0.000 1.498 806 N HN 0.298 nan 8.380 nan 0.000 0.474 807 L N 1.278 122.366 121.223 -0.225 0.000 2.409 807 L HA 0.659 4.999 4.340 0.000 0.000 0.262 807 L C -0.921 175.838 176.870 -0.184 0.000 0.992 807 L CA -0.477 54.239 54.840 -0.208 0.000 0.817 807 L CB 2.149 44.129 42.059 -0.132 0.000 1.350 807 L HN 0.493 nan 8.230 nan 0.000 0.411 808 M N 2.501 121.941 119.600 -0.267 0.000 2.255 808 M HA 0.570 5.050 4.480 0.000 0.000 0.275 808 M C -1.971 174.169 176.300 -0.267 0.000 1.050 808 M CA -0.062 55.154 55.300 -0.140 0.000 0.978 808 M CB 1.429 33.987 32.600 -0.071 0.000 1.761 808 M HN 0.238 nan 8.290 nan 0.000 0.479 809 F N 1.559 121.501 119.950 -0.013 0.000 2.425 809 F HA 0.845 5.372 4.527 0.000 0.000 0.331 809 F C 0.339 176.153 175.800 0.023 0.000 1.085 809 F CA -0.257 57.746 58.000 0.005 0.000 1.028 809 F CB 2.164 41.166 39.000 0.003 0.000 1.177 809 F HN 0.540 nan 8.300 nan 0.000 0.487 810 S N -0.276 115.542 115.700 0.197 0.000 2.595 810 S HA 0.801 5.271 4.470 0.000 0.000 0.281 810 S C -1.066 173.616 174.600 0.136 0.000 1.117 810 S CA -0.953 57.329 58.200 0.138 0.000 0.873 810 S CB 2.205 65.454 63.200 0.083 0.000 1.108 810 S HN 0.637 nan 8.310 nan 0.000 0.477 811 T N -0.161 114.468 114.554 0.124 0.000 3.071 811 T HA 0.650 5.000 4.350 0.000 0.000 0.311 811 T C -0.955 173.823 174.700 0.129 0.000 1.042 811 T CA -0.806 61.367 62.100 0.123 0.000 1.028 811 T CB 1.459 70.401 68.868 0.123 0.000 1.068 811 T HN 0.579 nan 8.240 nan 0.000 0.451 812 R N 2.091 122.665 120.500 0.124 0.000 2.599 812 R HA 0.419 4.759 4.340 0.000 0.000 0.295 812 R C -0.166 176.222 176.300 0.147 0.000 0.963 812 R CA -0.970 55.212 56.100 0.136 0.000 0.883 812 R CB 1.469 31.818 30.300 0.082 0.000 1.171 812 R HN 0.885 nan 8.270 nan 0.000 0.450 813 W N 4.305 125.566 121.300 -0.066 0.000 2.678 813 W HA 0.093 4.754 4.660 0.000 0.000 0.282 813 W C -0.833 175.587 176.519 -0.165 0.000 1.137 813 W CA 0.904 58.160 57.345 -0.148 0.000 1.515 813 W CB 0.585 29.876 29.460 -0.282 0.000 1.101 813 W HN 0.590 nan 8.180 nan 0.000 0.564 814 D N 1.213 121.472 120.400 -0.235 0.000 4.621 814 D HA -0.214 4.426 4.640 0.000 0.000 0.241 814 D C -0.479 175.576 176.300 -0.409 0.000 1.065 814 D CA 1.072 54.907 54.000 -0.275 0.000 1.247 814 D CB -1.438 39.208 40.800 -0.258 0.000 0.793 814 D HN -0.120 nan 8.370 nan 0.000 0.391 815 F N 0.000 120.008 119.950 0.096 0.000 2.286 815 F HA 0.000 4.527 4.527 0.000 0.000 0.279 815 F CA 0.000 58.146 58.000 0.244 0.000 1.383 815 F CB 0.000 39.231 39.000 0.385 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574