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 3c8h_1_C DATA FIRST_RESID 6 DATA SEQUENCE VGSESWWQSK HGPEWQRLND EXFEVTFWWR DPQGSEEYST IKRVWVYITG DATA SEQUENCE VTXXXXXXQP QSXQRIAGTD VWQWTTQLNA NWRGSYCFIP TERDDIFSAP DATA SEQUENCE SPDRLELREG WRKLLPQAIA DPLNPQSWKG GLGHAVSALE XPQAPLQPGW DATA SEQUENCE DCPQAPEIPA KEIIWKSERL KNSRRVWIFT TGDVXXXERP LAVLLDGEFW DATA SEQUENCE AQSXPVWPVL TSLTHRQQLP PAVYVLIDAI DTTHRAHELP CNADFWLAVQ DATA SEQUENCE QELLPLVKVI APFSDRADRT VVAGQSFGGL SALYAGLHWP ERFGCVLSQS DATA SEQUENCE GSYWWPHRGG QQEGVLLEKL KAGEVSAEGL RIVLEAGIRE PXIXRANQAL DATA SEQUENCE YAQLHPIKES IFWRQVDGGH DALCWRGGLX QGLIDLWQPL FH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.541 176.094 -0.921 0.000 1.182 6 V CA 0.000 61.704 62.300 -0.993 0.000 1.235 6 V CB 0.000 31.435 31.823 -0.647 0.000 1.184 7 G N 3.583 111.638 108.800 -1.243 0.000 2.232 7 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.226 7 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.226 7 G C 0.464 175.393 174.900 0.048 0.000 0.996 7 G CA 0.520 45.326 45.100 -0.490 0.000 0.626 7 G HN 1.696 nan 8.290 nan 0.000 0.509 8 S N 0.304 116.002 115.700 -0.003 0.000 2.587 8 S HA 0.459 4.928 4.470 -0.001 0.000 0.260 8 S C 1.156 175.957 174.600 0.335 0.000 1.353 8 S CA 0.801 59.092 58.200 0.152 0.000 0.995 8 S CB 1.672 64.926 63.200 0.090 0.000 0.912 8 S HN 0.503 nan 8.310 nan 0.000 0.568 9 E N 1.306 121.666 120.200 0.266 0.000 2.077 9 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 9 E C 2.065 178.813 176.600 0.245 0.000 0.989 9 E CA 2.007 58.574 56.400 0.279 0.000 0.800 9 E CB -0.641 29.148 29.700 0.149 0.000 0.746 9 E HN 0.785 nan 8.360 nan 0.000 0.452 10 S N -0.912 114.885 115.700 0.163 0.000 2.383 10 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 10 S C 1.959 176.594 174.600 0.058 0.000 1.026 10 S CA 0.745 59.001 58.200 0.094 0.000 0.981 10 S CB -1.050 62.188 63.200 0.064 0.000 0.818 10 S HN 0.564 nan 8.310 nan 0.000 0.472 11 W N 1.264 122.493 121.300 -0.117 0.000 2.342 11 W HA -0.030 4.629 4.660 -0.001 0.000 0.297 11 W C 1.654 177.949 176.519 -0.373 0.000 1.213 11 W CA 1.165 58.339 57.345 -0.284 0.000 1.251 11 W CB -0.406 28.823 29.460 -0.385 0.000 1.136 11 W HN 0.309 nan 8.180 nan 0.000 0.526 12 W N -0.081 121.314 121.300 0.158 0.000 2.453 12 W HA -0.076 4.583 4.660 -0.001 0.000 0.289 12 W C 2.565 178.966 176.519 -0.196 0.000 1.215 12 W CA 1.111 58.458 57.345 0.003 0.000 1.297 12 W CB -0.817 28.716 29.460 0.122 0.000 1.113 12 W HN -0.155 nan 8.180 nan 0.000 0.551 13 Q N -0.020 119.829 119.800 0.082 0.000 2.297 13 Q HA -0.189 4.150 4.340 -0.001 0.000 0.208 13 Q C 2.218 178.128 176.000 -0.149 0.000 0.981 13 Q CA 1.778 57.568 55.803 -0.023 0.000 0.876 13 Q CB -0.274 28.484 28.738 0.034 0.000 0.921 13 Q HN 0.179 nan 8.270 nan 0.000 0.446 14 S N -0.526 115.034 115.700 -0.233 0.000 2.603 14 S HA 0.043 4.512 4.470 -0.001 0.000 0.220 14 S C 0.258 174.666 174.600 -0.319 0.000 0.967 14 S CA -0.055 57.998 58.200 -0.245 0.000 0.920 14 S CB 0.327 63.308 63.200 -0.365 0.000 0.773 14 S HN -0.013 nan 8.310 nan 0.000 0.529 15 K N 2.356 122.463 120.400 -0.487 0.000 2.425 15 K HA 0.267 4.586 4.320 -0.001 0.000 0.259 15 K C -1.116 175.239 176.600 -0.409 0.000 0.978 15 K CA -0.348 55.685 56.287 -0.423 0.000 0.883 15 K CB 0.946 33.188 32.500 -0.431 0.000 1.110 15 K HN 0.445 nan 8.250 nan 0.000 0.436 16 H N 1.514 120.576 119.070 -0.013 0.000 2.336 16 H HA 0.271 4.826 4.556 -0.001 0.000 0.230 16 H C 0.686 176.077 175.328 0.104 0.000 1.426 16 H CA -0.301 55.783 56.048 0.060 0.000 1.359 16 H CB 1.069 30.844 29.762 0.022 0.000 1.555 16 H HN 1.002 nan 8.280 nan 0.000 0.512 17 G N 1.990 110.949 108.800 0.265 0.000 2.566 17 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.599 17 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.599 17 G C -2.999 172.086 174.900 0.309 0.000 1.292 17 G CA -1.371 43.926 45.100 0.328 0.000 0.922 17 G HN 0.173 nan 8.290 nan 0.000 0.514 18 P HA 0.380 nan 4.420 nan 0.000 0.275 18 P C -0.419 176.858 177.300 -0.039 0.000 1.227 18 P CA 0.127 63.309 63.100 0.135 0.000 0.781 18 P CB 0.681 32.324 31.700 -0.094 0.000 0.906 19 E N 2.179 122.400 120.200 0.035 0.000 2.166 19 E HA 0.377 4.726 4.350 -0.001 0.000 0.275 19 E C -0.839 175.743 176.600 -0.030 0.000 0.941 19 E CA -0.588 55.748 56.400 -0.107 0.000 0.784 19 E CB 1.018 30.823 29.700 0.175 0.000 1.115 19 E HN 0.444 nan 8.360 nan 0.000 0.399 20 W N 1.349 122.683 121.300 0.056 0.000 2.820 20 W HA 0.640 5.299 4.660 -0.001 0.000 0.350 20 W C -0.652 176.001 176.519 0.223 0.000 1.116 20 W CA -0.782 56.631 57.345 0.112 0.000 1.146 20 W CB 1.059 30.577 29.460 0.096 0.000 1.433 20 W HN 0.261 nan 8.180 nan 0.000 0.561 21 Q N 0.832 120.967 119.800 0.558 0.000 2.522 21 Q HA 0.291 4.630 4.340 -0.001 0.000 0.285 21 Q C -1.330 174.559 176.000 -0.185 0.000 0.982 21 Q CA -1.243 54.743 55.803 0.305 0.000 0.805 21 Q CB 3.241 32.044 28.738 0.108 0.000 1.457 21 Q HN 0.657 nan 8.270 nan 0.000 0.394 22 R N 1.661 121.836 120.500 -0.541 0.000 2.340 22 R HA 0.300 4.640 4.340 -0.001 0.000 0.300 22 R C 0.501 176.522 176.300 -0.466 0.000 1.069 22 R CA 0.283 55.760 56.100 -1.039 0.000 0.984 22 R CB 0.452 30.288 30.300 -0.773 0.000 1.003 22 R HN 0.585 nan 8.270 nan 0.000 0.459 23 L N 2.603 123.581 121.223 -0.407 0.000 2.347 23 L HA 0.206 4.545 4.340 -0.001 0.000 0.196 23 L C 0.237 177.010 176.870 -0.162 0.000 1.072 23 L CA 0.258 54.972 54.840 -0.209 0.000 0.817 23 L CB -0.127 41.842 42.059 -0.149 0.000 1.029 23 L HN 0.586 nan 8.230 nan 0.000 0.478 24 N N -1.010 117.593 118.700 -0.161 0.000 2.741 24 N HA 0.162 4.901 4.740 -0.001 0.000 0.310 24 N C 0.006 175.453 175.510 -0.105 0.000 1.295 24 N CA -0.753 52.235 53.050 -0.103 0.000 0.893 24 N CB 0.639 39.092 38.487 -0.056 0.000 1.247 24 N HN -0.181 nan 8.380 nan 0.000 0.596 25 D N -0.327 120.046 120.400 -0.044 0.000 2.219 25 D HA -0.011 4.629 4.640 -0.001 0.000 0.205 25 D C -0.291 176.031 176.300 0.036 0.000 0.970 25 D CA 1.397 55.394 54.000 -0.005 0.000 0.851 25 D CB 0.263 41.069 40.800 0.009 0.000 0.943 25 D HN 0.485 nan 8.370 nan 0.000 0.488 29 E N 3.514 123.764 120.200 0.084 0.000 2.259 29 E HA 0.632 4.981 4.350 -0.001 0.000 0.281 29 E C -1.466 175.189 176.600 0.091 0.000 1.027 29 E CA -0.379 56.031 56.400 0.017 0.000 0.838 29 E CB 1.275 30.952 29.700 -0.039 0.000 1.066 29 E HN 0.387 nan 8.360 nan 0.000 0.401 30 V N 3.318 123.199 119.914 -0.054 0.000 2.588 30 V HA 0.363 4.483 4.120 -0.001 0.000 0.304 30 V C -0.086 175.821 176.094 -0.312 0.000 1.042 30 V CA -0.871 61.363 62.300 -0.110 0.000 0.877 30 V CB 1.973 33.694 31.823 -0.170 0.000 0.996 30 V HN 0.658 nan 8.190 nan 0.000 0.425 31 T N 4.495 118.837 114.554 -0.353 0.000 2.829 31 T HA 0.743 5.092 4.350 -0.001 0.000 0.280 31 T C -0.922 173.428 174.700 -0.583 0.000 0.999 31 T CA -0.097 61.712 62.100 -0.485 0.000 0.983 31 T CB 0.847 69.351 68.868 -0.607 0.000 0.968 31 T HN 0.343 nan 8.240 nan 0.000 0.446 32 F N 1.588 121.411 119.950 -0.211 0.000 2.492 32 F HA 0.614 5.141 4.527 -0.001 0.000 0.327 32 F C -0.092 175.663 175.800 -0.074 0.000 1.079 32 F CA -0.944 57.115 58.000 0.099 0.000 0.967 32 F CB 1.375 40.611 39.000 0.393 0.000 1.169 32 F HN 0.328 nan 8.300 nan 0.000 0.472 33 W N 1.836 123.510 121.300 0.623 0.000 2.736 33 W HA 0.287 4.947 4.660 -0.001 0.000 0.335 33 W C -1.568 175.344 176.519 0.654 0.000 1.059 33 W CA -1.267 56.441 57.345 0.604 0.000 1.226 33 W CB 2.047 31.837 29.460 0.551 0.000 1.416 33 W HN 0.573 nan 8.180 nan 0.000 0.505 34 W N 4.663 126.299 121.300 0.560 0.000 2.830 34 W HA 0.457 5.117 4.660 -0.001 0.000 0.335 34 W C -0.783 175.946 176.519 0.349 0.000 1.043 34 W CA -1.225 56.258 57.345 0.231 0.000 1.239 34 W CB 1.028 30.239 29.460 -0.416 0.000 1.378 34 W HN 0.259 nan 8.180 nan 0.000 0.456 35 R N 4.174 124.301 120.500 -0.623 0.000 2.298 35 R HA 0.105 4.445 4.340 -0.001 0.000 0.310 35 R C -0.359 175.103 176.300 -1.397 0.000 1.068 35 R CA -0.194 55.303 56.100 -1.005 0.000 0.957 35 R CB 0.571 29.946 30.300 -1.542 0.000 1.003 35 R HN 0.396 nan 8.270 nan 0.000 0.454 36 D N 5.621 125.477 120.400 -0.905 0.000 2.325 36 D HA 0.106 4.745 4.640 -0.001 0.000 0.251 36 D C -1.747 174.278 176.300 -0.459 0.000 1.196 36 D CA -2.165 51.323 54.000 -0.854 0.000 0.866 36 D CB 1.789 42.502 40.800 -0.145 0.000 1.101 36 D HN 0.356 nan 8.370 nan 0.000 0.476 37 P HA -0.028 nan 4.420 nan 0.000 0.230 37 P C 0.533 177.771 177.300 -0.104 0.000 1.158 37 P CA 0.800 63.771 63.100 -0.215 0.000 0.769 37 P CB 0.277 31.895 31.700 -0.136 0.000 0.807 38 Q N -0.694 119.074 119.800 -0.053 0.000 2.280 38 Q HA 0.302 4.641 4.340 -0.001 0.000 0.202 38 Q C 1.039 177.082 176.000 0.072 0.000 0.903 38 Q CA 0.214 56.031 55.803 0.023 0.000 0.948 38 Q CB 0.063 28.843 28.738 0.071 0.000 1.058 38 Q HN 0.151 nan 8.270 nan 0.000 0.493 39 G N 1.546 110.369 108.800 0.039 0.000 2.512 39 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.240 39 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.240 39 G C 0.079 175.077 174.900 0.162 0.000 1.246 39 G CA -0.187 44.969 45.100 0.093 0.000 0.919 39 G HN 0.466 nan 8.290 nan 0.000 0.577 40 S N 0.143 115.971 115.700 0.213 0.000 2.632 40 S HA 0.488 4.957 4.470 -0.001 0.000 0.267 40 S C 1.628 176.298 174.600 0.116 0.000 1.193 40 S CA 0.929 59.213 58.200 0.141 0.000 1.003 40 S CB 1.237 64.494 63.200 0.094 0.000 1.073 40 S HN 1.481 nan 8.310 nan 0.000 0.553 41 E N 0.258 120.476 120.200 0.030 0.000 2.268 41 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 41 E C 1.594 178.149 176.600 -0.074 0.000 0.995 41 E CA 1.553 57.959 56.400 0.009 0.000 0.836 41 E CB -0.656 29.024 29.700 -0.033 0.000 0.763 41 E HN 0.889 nan 8.360 nan 0.000 0.491 42 E N -0.080 119.988 120.200 -0.220 0.000 2.204 42 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 42 E C 0.877 177.139 176.600 -0.563 0.000 0.990 42 E CA 1.248 57.350 56.400 -0.496 0.000 0.821 42 E CB -0.075 29.140 29.700 -0.810 0.000 0.750 42 E HN 0.413 nan 8.360 nan 0.000 0.477 43 Y N -0.944 119.375 120.300 0.031 0.000 2.526 43 Y HA 0.321 4.871 4.550 -0.001 0.000 0.265 43 Y C 1.027 176.954 175.900 0.045 0.000 1.092 43 Y CA -0.002 58.116 58.100 0.031 0.000 1.277 43 Y CB 0.073 38.546 38.460 0.021 0.000 1.228 43 Y HN -0.124 nan 8.280 nan 0.000 0.507 44 S N 0.319 116.139 115.700 0.199 0.000 2.564 44 S HA 0.051 4.520 4.470 -0.001 0.000 0.278 44 S C 1.212 175.896 174.600 0.141 0.000 1.333 44 S CA 0.054 58.360 58.200 0.176 0.000 1.048 44 S CB 0.817 64.152 63.200 0.225 0.000 0.900 44 S HN 0.341 nan 8.310 nan 0.000 0.505 45 T N 4.449 119.076 114.554 0.120 0.000 3.081 45 T HA 0.174 4.523 4.350 -0.001 0.000 0.255 45 T C 0.475 175.229 174.700 0.090 0.000 1.113 45 T CA 0.161 62.315 62.100 0.090 0.000 1.082 45 T CB -0.134 68.775 68.868 0.068 0.000 0.939 45 T HN 0.476 nan 8.240 nan 0.000 0.506 46 I N 2.192 122.835 120.570 0.121 0.000 2.396 46 I HA 0.288 4.457 4.170 -0.001 0.000 0.289 46 I C 0.925 177.137 176.117 0.159 0.000 1.056 46 I CA -0.098 61.248 61.300 0.076 0.000 1.365 46 I CB 1.329 39.338 38.000 0.015 0.000 1.407 46 I HN -0.052 nan 8.210 nan 0.000 0.509 47 K N 4.455 124.909 120.400 0.089 0.000 2.370 47 K HA 0.241 4.560 4.320 -0.001 0.000 0.194 47 K C 0.241 176.928 176.600 0.146 0.000 1.070 47 K CA 0.447 56.830 56.287 0.161 0.000 0.998 47 K CB 0.615 33.170 32.500 0.092 0.000 0.911 47 K HN 0.364 nan 8.250 nan 0.000 0.533 48 R N -0.334 120.114 120.500 -0.087 0.000 2.808 48 R HA 0.452 4.791 4.340 -0.001 0.000 0.272 48 R C -1.288 174.610 176.300 -0.670 0.000 0.995 48 R CA -0.853 55.042 56.100 -0.343 0.000 0.917 48 R CB 2.071 32.048 30.300 -0.537 0.000 1.217 48 R HN -0.270 nan 8.270 nan 0.000 0.471 49 V N 2.049 121.486 119.914 -0.795 0.000 2.465 49 V HA 0.240 4.359 4.120 -0.001 0.000 0.263 49 V C -0.856 174.885 176.094 -0.588 0.000 0.981 49 V CA -1.019 60.801 62.300 -0.799 0.000 0.838 49 V CB 0.365 31.594 31.823 -0.989 0.000 1.068 49 V HN 0.578 nan 8.190 nan 0.000 0.458 50 W N 2.279 123.472 121.300 -0.179 0.000 2.193 50 W HA 0.401 5.060 4.660 -0.001 0.000 0.338 50 W C 0.182 176.636 176.519 -0.107 0.000 1.310 50 W CA -0.217 57.095 57.345 -0.055 0.000 1.243 50 W CB 0.424 30.034 29.460 0.249 0.000 1.165 50 W HN 0.234 nan 8.180 nan 0.000 0.566 51 V N 4.147 124.031 119.914 -0.050 0.000 2.370 51 V HA 0.120 4.240 4.120 -0.001 0.000 0.283 51 V C -1.013 174.997 176.094 -0.140 0.000 1.023 51 V CA -1.066 61.131 62.300 -0.171 0.000 0.857 51 V CB 0.494 31.954 31.823 -0.604 0.000 0.985 51 V HN 0.379 nan 8.190 nan 0.000 0.443 52 Y N 6.113 126.290 120.300 -0.206 0.000 2.593 52 Y HA 0.563 5.112 4.550 -0.001 0.000 0.331 52 Y C 0.093 175.863 175.900 -0.217 0.000 0.986 52 Y CA -0.667 57.212 58.100 -0.368 0.000 1.262 52 Y CB 0.832 39.004 38.460 -0.481 0.000 1.098 52 Y HN 0.564 nan 8.280 nan 0.000 0.506 53 I N 5.711 126.037 120.570 -0.406 0.000 2.291 53 I HA 0.124 4.293 4.170 -0.001 0.000 0.292 53 I C 0.415 176.423 176.117 -0.182 0.000 1.064 53 I CA -0.512 60.710 61.300 -0.129 0.000 1.269 53 I CB 0.673 38.629 38.000 -0.074 0.000 1.418 53 I HN 0.515 nan 8.210 nan 0.000 0.485 54 T N 5.576 120.117 114.554 -0.023 0.000 2.765 54 T HA 0.060 4.409 4.350 -0.001 0.000 0.275 54 T C 1.291 176.007 174.700 0.027 0.000 1.007 54 T CA 1.341 63.429 62.100 -0.019 0.000 1.175 54 T CB 0.352 69.226 68.868 0.011 0.000 0.993 54 T HN 1.108 nan 8.240 nan 0.000 0.510 55 G N 2.046 110.823 108.800 -0.039 0.000 2.225 55 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.254 55 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.254 55 G C 0.726 175.638 174.900 0.020 0.000 0.988 55 G CA 0.267 45.379 45.100 0.020 0.000 0.625 55 G HN 0.647 nan 8.290 nan 0.000 0.527 56 V N 0.084 119.963 119.914 -0.059 0.000 2.870 56 V HA 0.240 4.359 4.120 -0.001 0.000 0.232 56 V C 1.992 177.960 176.094 -0.211 0.000 1.161 56 V CA 1.750 63.993 62.300 -0.095 0.000 1.204 56 V CB -0.389 31.371 31.823 -0.104 0.000 1.003 56 V HN 0.331 nan 8.190 nan 0.000 0.499 65 P HA 0.559 nan 4.420 nan 0.000 0.290 65 P C -1.420 176.001 177.300 0.202 0.000 1.275 65 P CA -0.492 62.585 63.100 -0.039 0.000 0.841 65 P CB 1.349 32.725 31.700 -0.539 0.000 1.042 66 Q N -0.185 119.776 119.800 0.268 0.000 2.433 66 Q HA 0.684 5.024 4.340 -0.001 0.000 0.279 66 Q C -0.274 175.676 176.000 -0.083 0.000 1.105 66 Q CA -0.809 55.118 55.803 0.207 0.000 0.815 66 Q CB 1.706 30.550 28.738 0.177 0.000 1.403 66 Q HN 0.402 nan 8.270 nan 0.000 0.435 70 R N 3.884 123.800 120.500 -0.974 0.000 2.490 70 R HA 0.415 4.755 4.340 -0.001 0.000 0.280 70 R C -0.529 175.493 176.300 -0.464 0.000 1.077 70 R CA -0.272 55.190 56.100 -1.064 0.000 1.065 70 R CB 0.501 29.962 30.300 -1.399 0.000 1.003 70 R HN 0.783 nan 8.270 nan 0.000 0.470 71 I N 4.153 124.540 120.570 -0.306 0.000 2.363 71 I HA 0.084 4.253 4.170 -0.001 0.000 0.292 71 I C 0.616 176.609 176.117 -0.206 0.000 1.075 71 I CA -0.115 61.066 61.300 -0.198 0.000 1.333 71 I CB 1.163 39.069 38.000 -0.157 0.000 1.415 71 I HN 0.700 nan 8.210 nan 0.000 0.502 72 A N 4.978 127.691 122.820 -0.180 0.000 2.511 72 A HA 0.434 4.753 4.320 -0.001 0.000 0.242 72 A C 1.310 178.827 177.584 -0.111 0.000 1.069 72 A CA 0.572 52.519 52.037 -0.149 0.000 0.763 72 A CB -0.070 18.856 19.000 -0.123 0.000 1.001 72 A HN 1.195 nan 8.150 nan 0.000 0.498 73 G N 1.202 109.950 108.800 -0.086 0.000 2.176 73 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.253 73 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.253 73 G C 0.416 175.290 174.900 -0.044 0.000 0.979 73 G CA 1.161 46.228 45.100 -0.056 0.000 0.641 73 G HN 2.374 nan 8.290 nan 0.000 0.530 74 T N -2.753 111.766 114.554 -0.058 0.000 2.865 74 T HA 0.573 4.922 4.350 -0.001 0.000 0.294 74 T C 0.235 174.951 174.700 0.028 0.000 1.119 74 T CA 0.341 62.422 62.100 -0.031 0.000 1.007 74 T CB 1.882 70.681 68.868 -0.115 0.000 1.225 74 T HN 0.185 nan 8.240 nan 0.000 0.515 75 D N -0.177 120.293 120.400 0.116 0.000 2.325 75 D HA 0.137 4.776 4.640 -0.001 0.000 0.225 75 D C 0.291 176.794 176.300 0.339 0.000 1.096 75 D CA -0.245 53.859 54.000 0.174 0.000 0.844 75 D CB -0.458 40.389 40.800 0.078 0.000 0.925 75 D HN 0.360 nan 8.370 nan 0.000 0.513 76 V N 0.982 121.094 119.914 0.329 0.000 2.461 76 V HA 0.271 4.390 4.120 -0.001 0.000 0.275 76 V C -0.578 175.722 176.094 0.342 0.000 1.047 76 V CA -0.701 61.909 62.300 0.516 0.000 0.955 76 V CB 0.337 32.257 31.823 0.163 0.000 0.988 76 V HN 0.052 nan 8.190 nan 0.000 0.471 77 W N 3.386 124.917 121.300 0.384 0.000 2.632 77 W HA 0.695 5.354 4.660 -0.001 0.000 0.328 77 W C -0.020 176.675 176.519 0.292 0.000 1.044 77 W CA -0.407 57.116 57.345 0.297 0.000 1.225 77 W CB 1.298 30.966 29.460 0.347 0.000 1.396 77 W HN 0.509 nan 8.180 nan 0.000 0.499 78 Q N 2.439 122.436 119.800 0.329 0.000 2.379 78 Q HA 0.424 4.763 4.340 -0.001 0.000 0.278 78 Q C -2.186 173.910 176.000 0.159 0.000 1.068 78 Q CA -0.721 55.106 55.803 0.039 0.000 0.816 78 Q CB 2.734 31.377 28.738 -0.158 0.000 1.387 78 Q HN 0.686 nan 8.270 nan 0.000 0.413 79 W N 2.531 123.763 121.300 -0.113 0.000 3.326 79 W HA 0.473 5.132 4.660 -0.001 0.000 0.333 79 W C -1.667 174.873 176.519 0.034 0.000 1.108 79 W CA -0.060 57.290 57.345 0.008 0.000 1.245 79 W CB 1.846 31.357 29.460 0.084 0.000 1.331 79 W HN 0.497 nan 8.180 nan 0.000 0.464 80 T N 4.476 118.565 114.554 -0.773 0.000 2.823 80 T HA 0.679 5.028 4.350 -0.001 0.000 0.279 80 T C -0.496 173.546 174.700 -1.098 0.000 0.998 80 T CA -0.267 61.396 62.100 -0.728 0.000 0.994 80 T CB 1.937 70.556 68.868 -0.415 0.000 0.960 80 T HN 0.377 nan 8.240 nan 0.000 0.448 81 T N 1.743 115.796 114.554 -0.836 0.000 2.654 81 T HA 0.539 4.888 4.350 -0.001 0.000 0.289 81 T C -1.779 172.726 174.700 -0.324 0.000 1.062 81 T CA -0.605 61.077 62.100 -0.696 0.000 1.041 81 T CB 1.723 70.046 68.868 -0.908 0.000 1.417 81 T HN 0.562 nan 8.240 nan 0.000 0.510 82 Q N 0.797 120.464 119.800 -0.222 0.000 2.331 82 Q HA 0.723 5.062 4.340 -0.001 0.000 0.272 82 Q C -1.561 174.338 176.000 -0.169 0.000 1.062 82 Q CA -0.673 55.044 55.803 -0.144 0.000 0.806 82 Q CB 2.458 31.135 28.738 -0.102 0.000 1.312 82 Q HN 0.478 nan 8.270 nan 0.000 0.431 83 L N 0.811 121.939 121.223 -0.158 0.000 2.424 83 L HA 0.466 4.805 4.340 -0.001 0.000 0.258 83 L C -0.543 176.299 176.870 -0.047 0.000 0.995 83 L CA -1.144 53.550 54.840 -0.243 0.000 0.821 83 L CB 1.880 43.597 42.059 -0.570 0.000 1.383 83 L HN 0.544 nan 8.230 nan 0.000 0.410 84 N N 0.121 118.833 118.700 0.020 0.000 2.305 84 N HA 0.120 4.859 4.740 -0.001 0.000 0.232 84 N C 0.955 176.545 175.510 0.132 0.000 1.274 84 N CA 0.485 53.597 53.050 0.104 0.000 0.870 84 N CB 0.595 39.158 38.487 0.127 0.000 1.105 84 N HN 0.825 nan 8.380 nan 0.000 0.436 85 A N 1.324 124.242 122.820 0.163 0.000 2.015 85 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 85 A C 1.556 179.141 177.584 0.001 0.000 1.163 85 A CA 1.555 53.669 52.037 0.128 0.000 0.646 85 A CB -0.610 18.540 19.000 0.250 0.000 0.806 85 A HN 0.863 nan 8.150 nan 0.000 0.448 86 N N -2.108 116.623 118.700 0.052 0.000 2.322 86 N HA -0.007 4.733 4.740 -0.001 0.000 0.194 86 N C 0.007 175.535 175.510 0.031 0.000 1.126 86 N CA -0.433 52.628 53.050 0.019 0.000 0.845 86 N CB -0.568 37.934 38.487 0.025 0.000 0.976 86 N HN 0.583 nan 8.380 nan 0.000 0.475 87 W N 2.344 123.577 121.300 -0.110 0.000 2.216 87 W HA 0.290 4.949 4.660 -0.001 0.000 0.326 87 W C 0.254 176.693 176.519 -0.133 0.000 1.319 87 W CA -0.580 56.703 57.345 -0.104 0.000 1.213 87 W CB 0.578 29.984 29.460 -0.089 0.000 1.171 87 W HN -0.005 nan 8.180 nan 0.000 0.557 88 R N 5.402 125.352 120.500 -0.917 0.000 2.621 88 R HA 0.753 5.092 4.340 -0.001 0.000 0.284 88 R C -0.738 174.673 176.300 -1.482 0.000 0.998 88 R CA -0.288 55.217 56.100 -0.991 0.000 0.895 88 R CB 1.423 31.424 30.300 -0.498 0.000 1.195 88 R HN 0.781 nan 8.270 nan 0.000 0.450 89 G N 0.951 108.946 108.800 -1.342 0.000 2.342 89 G HA2 0.287 4.246 3.960 -0.001 0.000 0.297 89 G HA3 0.287 4.246 3.960 -0.001 0.000 0.297 89 G C -1.636 173.188 174.900 -0.126 0.000 1.313 89 G CA -0.467 44.157 45.100 -0.793 0.000 0.830 89 G HN 0.688 nan 8.290 nan 0.000 0.506 90 S N -1.133 114.620 115.700 0.088 0.000 2.648 90 S HA 0.910 5.379 4.470 -0.001 0.000 0.305 90 S C -0.630 174.144 174.600 0.289 0.000 1.094 90 S CA -0.636 57.683 58.200 0.198 0.000 0.983 90 S CB 1.799 65.023 63.200 0.040 0.000 1.101 90 S HN 1.680 nan 8.310 nan 0.000 0.514 91 Y N -2.096 118.213 120.300 0.015 0.000 2.876 91 Y HA 0.888 5.438 4.550 -0.001 0.000 0.317 91 Y C -0.348 175.447 175.900 -0.176 0.000 1.369 91 Y CA -1.683 56.383 58.100 -0.056 0.000 1.101 91 Y CB 0.398 38.815 38.460 -0.072 0.000 1.346 91 Y HN 1.234 nan 8.280 nan 0.000 0.505 92 C N -1.212 118.009 119.300 -0.133 0.000 3.306 92 C HA 0.732 5.191 4.460 -0.001 0.000 0.335 92 C C -1.258 173.629 174.990 -0.172 0.000 1.382 92 C CA -1.550 57.252 59.018 -0.359 0.000 1.254 92 C CB 0.668 28.228 27.740 -0.299 0.000 1.555 92 C HN 0.879 nan 8.230 nan 0.000 0.463 93 F N 0.831 120.688 119.950 -0.154 0.000 2.399 93 F HA 0.717 5.243 4.527 -0.001 0.000 0.328 93 F C 0.569 176.201 175.800 -0.280 0.000 1.084 93 F CA -1.005 56.832 58.000 -0.271 0.000 1.053 93 F CB 1.183 39.891 39.000 -0.486 0.000 1.209 93 F HN 0.420 nan 8.300 nan 0.000 0.502 94 I N 3.490 124.035 120.570 -0.042 0.000 2.782 94 I HA 0.199 4.368 4.170 -0.001 0.000 0.279 94 I C -2.627 173.374 176.117 -0.193 0.000 1.247 94 I CA -1.972 59.291 61.300 -0.062 0.000 1.062 94 I CB 0.729 38.807 38.000 0.130 0.000 1.421 94 I HN 0.164 nan 8.210 nan 0.000 0.558 95 P HA 0.074 nan 4.420 nan 0.000 0.267 95 P C -0.152 177.008 177.300 -0.234 0.000 1.209 95 P CA 0.443 63.199 63.100 -0.573 0.000 0.763 95 P CB 1.427 32.688 31.700 -0.731 0.000 0.816 96 T N 1.303 115.750 114.554 -0.178 0.000 2.916 96 T HA 0.184 4.533 4.350 -0.001 0.000 0.305 96 T C 1.135 175.816 174.700 -0.032 0.000 1.119 96 T CA -0.604 61.464 62.100 -0.054 0.000 1.008 96 T CB 1.045 69.932 68.868 0.032 0.000 1.129 96 T HN 0.306 nan 8.240 nan 0.000 0.480 97 E N 2.928 123.125 120.200 -0.005 0.000 2.347 97 E HA -0.033 4.316 4.350 -0.001 0.000 0.196 97 E C 0.655 177.267 176.600 0.021 0.000 1.008 97 E CA 0.306 56.715 56.400 0.015 0.000 0.852 97 E CB 0.053 29.763 29.700 0.016 0.000 0.783 97 E HN 0.645 nan 8.360 nan 0.000 0.505 98 R N 1.408 121.919 120.500 0.018 0.000 2.460 98 R HA 0.367 4.707 4.340 -0.001 0.000 0.303 98 R C -0.858 175.474 176.300 0.053 0.000 0.968 98 R CA -0.420 55.691 56.100 0.019 0.000 0.889 98 R CB 0.507 30.799 30.300 -0.013 0.000 1.123 98 R HN -0.166 nan 8.270 nan 0.000 0.455 99 D N -0.020 120.411 120.400 0.051 0.000 2.599 99 D HA -0.028 4.611 4.640 -0.001 0.000 0.249 99 D C 0.192 176.530 176.300 0.063 0.000 1.313 99 D CA -0.435 53.620 54.000 0.091 0.000 0.815 99 D CB 0.511 41.359 40.800 0.080 0.000 1.077 99 D HN 0.663 nan 8.370 nan 0.000 0.492 100 D N 0.864 121.267 120.400 0.005 0.000 2.183 100 D HA -0.080 4.559 4.640 -0.001 0.000 0.205 100 D C 0.849 177.088 176.300 -0.102 0.000 0.962 100 D CA 0.008 53.987 54.000 -0.034 0.000 0.849 100 D CB 0.086 40.854 40.800 -0.053 0.000 0.978 100 D HN 0.311 nan 8.370 nan 0.000 0.488 101 I N 1.105 121.558 120.570 -0.195 0.000 2.598 101 I HA -0.025 4.144 4.170 -0.001 0.000 0.284 101 I C -0.064 175.797 176.117 -0.428 0.000 1.140 101 I CA -0.363 60.639 61.300 -0.497 0.000 1.420 101 I CB -0.271 37.289 38.000 -0.734 0.000 1.387 101 I HN -0.165 nan 8.210 nan 0.000 0.553 102 F N 3.768 123.579 119.950 -0.232 0.000 2.905 102 F HA -0.240 4.286 4.527 -0.001 0.000 0.291 102 F C 1.389 177.236 175.800 0.078 0.000 1.002 102 F CA 0.825 58.727 58.000 -0.164 0.000 0.978 102 F CB -2.440 36.276 39.000 -0.474 0.000 1.036 102 F HN 0.644 nan 8.300 nan 0.000 0.820 103 S N -1.521 114.269 115.700 0.149 0.000 2.545 103 S HA 0.564 5.034 4.470 -0.001 0.000 0.232 103 S C 1.129 175.786 174.600 0.095 0.000 1.070 103 S CA 0.156 58.430 58.200 0.124 0.000 0.923 103 S CB 0.190 63.429 63.200 0.065 0.000 0.806 103 S HN 0.812 nan 8.310 nan 0.000 0.506 104 A N 3.663 126.526 122.820 0.072 0.000 2.491 104 A HA 0.509 4.828 4.320 -0.001 0.000 0.261 104 A C -0.950 176.676 177.584 0.070 0.000 1.101 104 A CA -1.193 50.877 52.037 0.056 0.000 0.772 104 A CB -0.269 18.751 19.000 0.034 0.000 1.043 104 A HN 0.249 nan 8.150 nan 0.000 0.501 105 P HA -0.092 nan 4.420 nan 0.000 0.215 105 P C 0.441 177.766 177.300 0.043 0.000 1.163 105 P CA 1.280 64.412 63.100 0.054 0.000 0.894 105 P CB 0.232 31.957 31.700 0.041 0.000 0.791 106 S N -0.016 115.704 115.700 0.033 0.000 2.596 106 S HA 0.455 4.924 4.470 -0.001 0.000 0.318 106 S C -2.473 172.141 174.600 0.024 0.000 1.097 106 S CA -0.990 57.224 58.200 0.023 0.000 1.080 106 S CB 1.041 64.252 63.200 0.019 0.000 0.991 106 S HN -0.019 nan 8.310 nan 0.000 0.471 107 P HA 0.477 nan 4.420 nan 0.000 0.287 107 P C -0.724 176.589 177.300 0.022 0.000 1.270 107 P CA -0.627 62.491 63.100 0.030 0.000 0.844 107 P CB 0.685 32.414 31.700 0.049 0.000 1.068 108 D N 0.117 120.530 120.400 0.022 0.000 2.387 108 D HA 0.122 4.761 4.640 -0.001 0.000 0.251 108 D C 1.395 177.711 176.300 0.026 0.000 1.141 108 D CA -0.576 53.435 54.000 0.018 0.000 0.987 108 D CB 0.862 41.668 40.800 0.011 0.000 1.116 108 D HN 0.109 nan 8.370 nan 0.000 0.491 109 R N 0.610 121.122 120.500 0.022 0.000 2.204 109 R HA -0.120 4.219 4.340 -0.001 0.000 0.253 109 R C 1.127 177.446 176.300 0.032 0.000 1.172 109 R CA 1.058 57.174 56.100 0.026 0.000 0.994 109 R CB -0.116 30.193 30.300 0.015 0.000 0.874 109 R HN 0.420 nan 8.270 nan 0.000 0.462 110 L N -0.737 120.500 121.223 0.023 0.000 2.638 110 L HA 0.135 4.474 4.340 -0.001 0.000 0.232 110 L C 1.542 178.421 176.870 0.015 0.000 1.099 110 L CA 0.725 55.575 54.840 0.017 0.000 0.883 110 L CB -0.489 41.572 42.059 0.002 0.000 1.136 110 L HN 0.064 nan 8.230 nan 0.000 0.492 111 E N -0.278 119.935 120.200 0.023 0.000 2.371 111 E HA -0.075 4.274 4.350 -0.001 0.000 0.194 111 E C 1.764 178.407 176.600 0.072 0.000 1.012 111 E CA 0.253 56.662 56.400 0.015 0.000 0.860 111 E CB 0.304 30.017 29.700 0.021 0.000 0.811 111 E HN 0.166 nan 8.360 nan 0.000 0.502 112 L N 0.773 122.066 121.223 0.116 0.000 2.022 112 L HA -0.039 4.300 4.340 -0.001 0.000 0.204 112 L C 2.236 179.257 176.870 0.252 0.000 1.076 112 L CA 1.504 56.469 54.840 0.208 0.000 0.749 112 L CB -0.907 41.274 42.059 0.205 0.000 0.903 112 L HN -0.004 nan 8.230 nan 0.000 0.439 113 R N -0.405 120.203 120.500 0.179 0.000 2.133 113 R HA -0.254 4.085 4.340 -0.001 0.000 0.247 113 R C 2.154 178.506 176.300 0.085 0.000 1.151 113 R CA 1.784 57.968 56.100 0.141 0.000 0.971 113 R CB -0.125 30.214 30.300 0.065 0.000 0.866 113 R HN 0.328 nan 8.270 nan 0.000 0.447 114 E N -0.627 119.584 120.200 0.019 0.000 2.051 114 E HA -0.055 4.295 4.350 -0.001 0.000 0.189 114 E C 1.887 178.395 176.600 -0.153 0.000 0.979 114 E CA 1.412 57.777 56.400 -0.059 0.000 0.803 114 E CB -0.500 29.154 29.700 -0.077 0.000 0.761 114 E HN 0.317 nan 8.360 nan 0.000 0.451 115 G N 0.158 108.799 108.800 -0.265 0.000 2.514 115 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.217 115 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.217 115 G C 1.313 175.922 174.900 -0.485 0.000 1.198 115 G CA 1.003 45.686 45.100 -0.696 0.000 0.780 115 G HN 0.420 nan 8.290 nan 0.000 0.565 116 W N 0.309 121.595 121.300 -0.024 0.000 2.465 116 W HA 0.145 4.804 4.660 -0.001 0.000 0.268 116 W C 2.716 179.135 176.519 -0.166 0.000 1.242 116 W CA 0.330 57.628 57.345 -0.078 0.000 1.248 116 W CB 0.068 29.534 29.460 0.010 0.000 1.118 116 W HN 0.077 nan 8.180 nan 0.000 0.587 117 R N 1.165 121.701 120.500 0.061 0.000 2.148 117 R HA -0.115 4.224 4.340 -0.001 0.000 0.223 117 R C 1.422 177.685 176.300 -0.062 0.000 1.088 117 R CA 1.183 57.279 56.100 -0.007 0.000 0.985 117 R CB 0.016 30.307 30.300 -0.015 0.000 0.880 117 R HN 0.115 nan 8.270 nan 0.000 0.451 118 K N -0.372 119.956 120.400 -0.120 0.000 2.262 118 K HA 0.075 4.395 4.320 -0.001 0.000 0.200 118 K C 1.865 178.383 176.600 -0.136 0.000 1.049 118 K CA 0.530 56.732 56.287 -0.141 0.000 0.979 118 K CB 0.236 32.617 32.500 -0.197 0.000 0.773 118 K HN 0.109 nan 8.250 nan 0.000 0.474 119 L N 0.184 121.318 121.223 -0.148 0.000 2.145 119 L HA 0.005 4.344 4.340 -0.001 0.000 0.201 119 L C 1.983 178.806 176.870 -0.078 0.000 1.075 119 L CA 0.587 55.361 54.840 -0.110 0.000 0.773 119 L CB -0.319 41.655 42.059 -0.142 0.000 0.936 119 L HN 0.082 nan 8.230 nan 0.000 0.451 120 L N 0.116 121.282 121.223 -0.096 0.000 2.089 120 L HA -0.219 4.120 4.340 -0.001 0.000 0.213 120 L C -0.260 176.497 176.870 -0.189 0.000 1.079 120 L CA 1.548 56.252 54.840 -0.226 0.000 0.758 120 L CB -1.822 40.072 42.059 -0.275 0.000 0.891 120 L HN 0.220 nan 8.230 nan 0.000 0.433 121 P HA -0.237 nan 4.420 nan 0.000 0.218 121 P C 1.138 178.395 177.300 -0.071 0.000 1.152 121 P CA 1.534 64.594 63.100 -0.066 0.000 0.857 121 P CB -0.049 31.621 31.700 -0.050 0.000 0.787 122 Q N -1.450 118.299 119.800 -0.084 0.000 2.403 122 Q HA 0.255 4.594 4.340 -0.001 0.000 0.203 122 Q C 0.650 176.588 176.000 -0.104 0.000 0.932 122 Q CA -0.365 55.394 55.803 -0.073 0.000 0.945 122 Q CB -0.021 28.682 28.738 -0.058 0.000 1.045 122 Q HN 0.151 nan 8.270 nan 0.000 0.511 123 A N 1.950 124.665 122.820 -0.174 0.000 2.531 123 A HA 0.324 4.644 4.320 -0.001 0.000 0.236 123 A C 0.241 177.727 177.584 -0.163 0.000 1.062 123 A CA 0.100 51.986 52.037 -0.252 0.000 0.760 123 A CB -0.143 18.500 19.000 -0.595 0.000 0.995 123 A HN 0.449 nan 8.150 nan 0.000 0.501 124 I N -1.661 118.825 120.570 -0.140 0.000 3.074 124 I HA 0.815 4.984 4.170 -0.001 0.000 0.310 124 I C 0.224 176.237 176.117 -0.173 0.000 1.153 124 I CA -1.243 60.003 61.300 -0.090 0.000 0.993 124 I CB 1.881 39.880 38.000 -0.002 0.000 1.237 124 I HN 0.687 nan 8.210 nan 0.000 0.443 125 A N 1.454 124.168 122.820 -0.177 0.000 2.310 125 A HA 0.247 4.567 4.320 -0.001 0.000 0.260 125 A C -0.362 177.071 177.584 -0.251 0.000 1.112 125 A CA -0.071 51.785 52.037 -0.302 0.000 0.804 125 A CB 0.167 19.013 19.000 -0.257 0.000 1.081 125 A HN 0.822 nan 8.150 nan 0.000 0.499 126 D N 0.357 120.544 120.400 -0.355 0.000 2.393 126 D HA 0.255 4.895 4.640 -0.001 0.000 0.232 126 D C -1.384 175.004 176.300 0.147 0.000 1.192 126 D CA -1.968 51.985 54.000 -0.079 0.000 0.882 126 D CB 0.791 41.556 40.800 -0.058 0.000 1.038 126 D HN 0.128 nan 8.370 nan 0.000 0.499 127 P HA -0.162 nan 4.420 nan 0.000 0.218 127 P C 1.551 178.965 177.300 0.191 0.000 1.146 127 P CA 0.776 63.989 63.100 0.188 0.000 0.813 127 P CB 0.485 32.304 31.700 0.199 0.000 0.778 128 L N -1.571 119.814 121.223 0.271 0.000 2.418 128 L HA 0.074 4.414 4.340 -0.001 0.000 0.218 128 L C 1.231 178.252 176.870 0.252 0.000 1.125 128 L CA 0.168 55.157 54.840 0.249 0.000 0.835 128 L CB -0.478 41.771 42.059 0.317 0.000 0.953 128 L HN -0.030 nan 8.230 nan 0.000 0.454 129 N N 0.536 119.393 118.700 0.262 0.000 2.420 129 N HA 0.116 4.855 4.740 -0.001 0.000 0.249 129 N C -1.882 173.740 175.510 0.185 0.000 1.033 129 N CA -1.913 51.290 53.050 0.254 0.000 0.944 129 N CB 1.564 40.234 38.487 0.305 0.000 1.113 129 N HN -0.167 nan 8.380 nan 0.000 0.502 130 P HA -0.100 nan 4.420 nan 0.000 0.216 130 P C -0.200 177.185 177.300 0.142 0.000 1.150 130 P CA 1.234 64.421 63.100 0.145 0.000 0.837 130 P CB 0.245 32.026 31.700 0.136 0.000 0.786 131 Q N 0.391 120.294 119.800 0.170 0.000 3.027 131 Q HA 0.257 4.596 4.340 -0.001 0.000 0.260 131 Q C -0.365 175.790 176.000 0.258 0.000 1.379 131 Q CA 0.410 56.332 55.803 0.199 0.000 1.038 131 Q CB -0.216 28.641 28.738 0.198 0.000 1.578 131 Q HN 0.131 nan 8.270 nan 0.000 0.571 132 S N 1.564 117.393 115.700 0.215 0.000 2.536 132 S HA 0.757 5.226 4.470 -0.001 0.000 0.287 132 S C -0.853 173.877 174.600 0.216 0.000 1.101 132 S CA -0.946 57.324 58.200 0.117 0.000 0.950 132 S CB 1.292 64.451 63.200 -0.068 0.000 1.056 132 S HN 0.563 nan 8.310 nan 0.000 0.481 133 W N 0.509 121.733 121.300 -0.127 0.000 3.062 133 W HA 0.748 5.407 4.660 -0.001 0.000 0.336 133 W C -1.160 175.282 176.519 -0.129 0.000 1.224 133 W CA -1.254 56.003 57.345 -0.147 0.000 1.159 133 W CB 0.632 29.959 29.460 -0.221 0.000 1.454 133 W HN 0.414 nan 8.180 nan 0.000 0.569 134 K N 1.966 122.357 120.400 -0.015 0.000 2.351 134 K HA 0.398 4.717 4.320 -0.001 0.000 0.287 134 K C 0.550 177.152 176.600 0.003 0.000 1.068 134 K CA 0.547 56.787 56.287 -0.079 0.000 0.998 134 K CB 0.140 32.631 32.500 -0.015 0.000 0.968 134 K HN 0.683 nan 8.250 nan 0.000 0.464 135 G N 1.701 110.360 108.800 -0.236 0.000 2.510 135 G HA2 0.243 4.202 3.960 -0.001 0.000 0.280 135 G HA3 0.243 4.202 3.960 -0.001 0.000 0.280 135 G C 0.849 175.720 174.900 -0.048 0.000 1.386 135 G CA -0.300 44.734 45.100 -0.109 0.000 1.047 135 G HN 0.683 nan 8.290 nan 0.000 0.527 136 G N -1.145 107.596 108.800 -0.099 0.000 2.411 136 G HA2 0.017 3.976 3.960 -0.001 0.000 0.213 136 G HA3 0.017 3.976 3.960 -0.001 0.000 0.213 136 G C 1.153 175.978 174.900 -0.125 0.000 1.166 136 G CA 0.094 45.135 45.100 -0.099 0.000 0.802 136 G HN 0.316 nan 8.290 nan 0.000 0.533 137 L N 1.360 122.443 121.223 -0.234 0.000 2.805 137 L HA 0.393 4.732 4.340 -0.001 0.000 0.237 137 L C 1.681 178.429 176.870 -0.204 0.000 1.252 137 L CA 0.825 55.554 54.840 -0.184 0.000 1.064 137 L CB 0.207 42.180 42.059 -0.143 0.000 1.361 137 L HN 0.339 nan 8.230 nan 0.000 0.474 138 G N -0.863 107.824 108.800 -0.188 0.000 2.162 138 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.260 138 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.260 138 G C 0.162 175.032 174.900 -0.051 0.000 0.976 138 G CA 0.606 45.658 45.100 -0.080 0.000 0.655 138 G HN 0.665 nan 8.290 nan 0.000 0.533 139 H N -1.698 117.311 119.070 -0.101 0.000 2.855 139 H HA 0.885 5.440 4.556 -0.001 0.000 0.363 139 H C 0.187 175.397 175.328 -0.197 0.000 1.185 139 H CA -0.493 55.474 56.048 -0.135 0.000 1.174 139 H CB 1.088 30.758 29.762 -0.154 0.000 1.857 139 H HN 0.700 nan 8.280 nan 0.000 0.565 140 A N 0.914 123.694 122.820 -0.066 0.000 2.322 140 A HA 0.625 4.944 4.320 -0.001 0.000 0.269 140 A C 0.106 177.498 177.584 -0.320 0.000 1.094 140 A CA 0.093 51.983 52.037 -0.244 0.000 0.807 140 A CB 0.146 19.036 19.000 -0.184 0.000 1.047 140 A HN 1.021 nan 8.150 nan 0.000 0.487 141 V N -1.386 118.116 119.914 -0.686 0.000 3.156 141 V HA 0.939 5.058 4.120 -0.001 0.000 0.311 141 V C -0.021 175.507 176.094 -0.942 0.000 1.208 141 V CA -0.569 61.241 62.300 -0.816 0.000 1.063 141 V CB 1.411 32.665 31.823 -0.948 0.000 1.098 141 V HN 0.876 nan 8.190 nan 0.000 0.452 142 S N -0.384 114.749 115.700 -0.945 0.000 2.667 142 S HA 0.930 5.400 4.470 -0.001 0.000 0.292 142 S C -0.403 173.980 174.600 -0.361 0.000 1.126 142 S CA -0.136 57.644 58.200 -0.700 0.000 0.881 142 S CB 1.740 64.374 63.200 -0.944 0.000 1.132 142 S HN 1.556 nan 8.310 nan 0.000 0.492 143 A N 1.542 124.442 122.820 0.133 0.000 2.318 143 A HA 0.796 5.115 4.320 -0.001 0.000 0.324 143 A C -1.260 176.604 177.584 0.468 0.000 1.170 143 A CA -0.499 51.750 52.037 0.353 0.000 0.810 143 A CB 0.523 19.741 19.000 0.364 0.000 1.198 143 A HN 0.729 nan 8.150 nan 0.000 0.484 144 L N 2.830 124.319 121.223 0.444 0.000 2.415 144 L HA 0.446 4.785 4.340 -0.001 0.000 0.268 144 L C -0.453 176.519 176.870 0.170 0.000 0.984 144 L CA -0.045 55.063 54.840 0.446 0.000 0.853 144 L CB 1.409 43.897 42.059 0.714 0.000 1.215 144 L HN 0.950 nan 8.230 nan 0.000 0.419 148 Q N 0.564 120.308 119.800 -0.094 0.000 2.280 148 Q HA 0.502 4.841 4.340 -0.001 0.000 0.202 148 Q C 0.502 176.475 176.000 -0.044 0.000 0.903 148 Q CA 0.029 55.816 55.803 -0.028 0.000 0.948 148 Q CB 0.465 29.216 28.738 0.021 0.000 1.058 148 Q HN 0.388 nan 8.270 nan 0.000 0.493 149 A N 3.147 125.915 122.820 -0.087 0.000 2.586 149 A HA 0.098 4.417 4.320 -0.001 0.000 0.231 149 A C -2.004 175.538 177.584 -0.070 0.000 1.055 149 A CA -0.772 51.207 52.037 -0.097 0.000 0.756 149 A CB -0.299 18.616 19.000 -0.141 0.000 0.988 149 A HN 0.073 nan 8.150 nan 0.000 0.509 150 P HA 0.267 nan 4.420 nan 0.000 0.271 150 P C -0.606 176.666 177.300 -0.047 0.000 1.216 150 P CA -0.067 63.002 63.100 -0.051 0.000 0.776 150 P CB 0.345 32.010 31.700 -0.058 0.000 0.881 151 L N 2.426 123.635 121.223 -0.024 0.000 2.453 151 L HA 0.135 4.475 4.340 -0.001 0.000 0.272 151 L C 1.038 177.909 176.870 0.001 0.000 1.182 151 L CA 0.306 55.142 54.840 -0.007 0.000 0.858 151 L CB -0.450 41.611 42.059 0.004 0.000 1.120 151 L HN 0.295 nan 8.230 nan 0.000 0.474 152 Q N 3.819 123.636 119.800 0.028 0.000 2.333 152 Q HA 0.364 4.703 4.340 -0.001 0.000 0.268 152 Q C -2.380 173.702 176.000 0.137 0.000 1.007 152 Q CA -2.076 53.771 55.803 0.074 0.000 0.810 152 Q CB 1.986 30.763 28.738 0.066 0.000 1.264 152 Q HN 0.339 nan 8.270 nan 0.000 0.452 153 P HA -0.015 nan 4.420 nan 0.000 0.267 153 P C 0.759 178.077 177.300 0.031 0.000 1.209 153 P CA 0.900 64.036 63.100 0.060 0.000 0.763 153 P CB 0.714 32.434 31.700 0.032 0.000 0.816 154 G N 1.979 110.755 108.800 -0.040 0.000 2.396 154 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.242 154 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.242 154 G C 0.957 175.699 174.900 -0.262 0.000 1.069 154 G CA 0.154 45.146 45.100 -0.180 0.000 0.633 154 G HN 0.472 nan 8.290 nan 0.000 0.517 155 W N 2.105 123.369 121.300 -0.059 0.000 2.436 155 W HA 0.194 4.854 4.660 -0.001 0.000 0.284 155 W C 2.436 178.926 176.519 -0.049 0.000 1.225 155 W CA 1.388 58.694 57.345 -0.065 0.000 1.271 155 W CB -0.069 29.347 29.460 -0.074 0.000 1.114 155 W HN 0.508 nan 8.180 nan 0.000 0.559 156 D N -1.883 118.610 120.400 0.155 0.000 2.323 156 D HA -0.072 4.567 4.640 -0.001 0.000 0.209 156 D C 0.555 176.876 176.300 0.036 0.000 0.973 156 D CA 0.465 54.517 54.000 0.087 0.000 0.874 156 D CB -0.515 40.325 40.800 0.067 0.000 0.930 156 D HN 0.032 nan 8.370 nan 0.000 0.521 157 C N 1.680 120.980 119.300 0.000 0.000 3.493 157 C HA 0.445 4.904 4.460 -0.001 0.000 0.228 157 C C -2.751 172.199 174.990 -0.067 0.000 1.227 157 C CA -1.499 57.505 59.018 -0.023 0.000 1.291 157 C CB -0.537 27.193 27.740 -0.016 0.000 1.820 157 C HN 0.091 nan 8.230 nan 0.000 0.547 158 P HA 0.356 nan 4.420 nan 0.000 0.278 158 P C -1.401 175.831 177.300 -0.113 0.000 1.258 158 P CA 0.105 63.123 63.100 -0.138 0.000 0.811 158 P CB 0.761 32.377 31.700 -0.141 0.000 1.063 159 Q N 0.422 120.144 119.800 -0.130 0.000 2.263 159 Q HA 0.565 4.904 4.340 -0.001 0.000 0.266 159 Q C -1.080 174.868 176.000 -0.085 0.000 1.002 159 Q CA -0.891 54.834 55.803 -0.130 0.000 0.790 159 Q CB 1.878 30.479 28.738 -0.228 0.000 1.272 159 Q HN 0.583 nan 8.270 nan 0.000 0.435 160 A N 5.582 128.372 122.820 -0.051 0.000 2.565 160 A HA 0.294 4.613 4.320 -0.001 0.000 0.237 160 A C -2.119 175.482 177.584 0.027 0.000 1.053 160 A CA -0.589 51.447 52.037 -0.002 0.000 0.755 160 A CB -0.319 18.683 19.000 0.003 0.000 0.980 160 A HN 0.575 nan 8.150 nan 0.000 0.506 161 P HA 0.143 nan 4.420 nan 0.000 0.272 161 P C -0.128 177.237 177.300 0.109 0.000 1.230 161 P CA -0.013 63.194 63.100 0.179 0.000 0.788 161 P CB 0.709 32.614 31.700 0.342 0.000 0.949 162 E N 1.178 121.441 120.200 0.105 0.000 2.014 162 E HA 0.033 4.382 4.350 -0.001 0.000 0.190 162 E C 0.421 177.047 176.600 0.043 0.000 0.980 162 E CA 1.042 57.480 56.400 0.064 0.000 0.807 162 E CB -0.360 29.377 29.700 0.061 0.000 0.770 162 E HN 0.409 nan 8.360 nan 0.000 0.451 163 I N 2.015 122.604 120.570 0.032 0.000 2.441 163 I HA 0.302 4.472 4.170 -0.001 0.000 0.295 163 I C -2.299 173.845 176.117 0.045 0.000 0.994 163 I CA -2.753 58.553 61.300 0.010 0.000 1.144 163 I CB 1.643 39.626 38.000 -0.028 0.000 1.314 163 I HN -0.074 nan 8.210 nan 0.000 0.445 164 P HA 0.249 nan 4.420 nan 0.000 0.274 164 P C -0.642 176.667 177.300 0.014 0.000 1.256 164 P CA -0.482 62.616 63.100 -0.004 0.000 0.795 164 P CB 0.502 32.163 31.700 -0.064 0.000 1.038 165 A N 1.436 124.192 122.820 -0.106 0.000 2.346 165 A HA 0.233 4.553 4.320 -0.001 0.000 0.252 165 A C 0.336 177.926 177.584 0.009 0.000 1.089 165 A CA -0.030 51.986 52.037 -0.034 0.000 0.797 165 A CB -0.093 18.562 19.000 -0.575 0.000 1.047 165 A HN 0.388 nan 8.150 nan 0.000 0.494 166 K N 1.172 121.624 120.400 0.087 0.000 2.240 166 K HA 0.206 4.525 4.320 -0.001 0.000 0.271 166 K C -0.774 175.850 176.600 0.040 0.000 1.018 166 K CA -0.082 56.238 56.287 0.055 0.000 0.874 166 K CB 1.056 33.583 32.500 0.045 0.000 1.098 166 K HN 0.816 nan 8.250 nan 0.000 0.458 167 E N 5.917 126.101 120.200 -0.025 0.000 2.055 167 E HA 0.197 4.546 4.350 -0.001 0.000 0.274 167 E C -0.177 176.318 176.600 -0.174 0.000 0.949 167 E CA -0.391 55.877 56.400 -0.221 0.000 0.775 167 E CB 0.519 30.119 29.700 -0.167 0.000 1.097 167 E HN 0.561 nan 8.360 nan 0.000 0.404 168 I N 0.487 120.940 120.570 -0.195 0.000 3.449 168 I HA 0.552 4.721 4.170 -0.001 0.000 0.294 168 I C -0.568 175.482 176.117 -0.112 0.000 1.163 168 I CA -1.076 60.162 61.300 -0.103 0.000 1.010 168 I CB 1.512 39.484 38.000 -0.045 0.000 1.307 168 I HN 0.222 nan 8.210 nan 0.000 0.518 169 I N 1.995 122.546 120.570 -0.032 0.000 2.439 169 I HA 0.161 4.330 4.170 -0.001 0.000 0.283 169 I C -1.453 174.726 176.117 0.103 0.000 1.023 169 I CA -0.095 61.203 61.300 -0.004 0.000 1.100 169 I CB 1.236 39.222 38.000 -0.023 0.000 1.238 169 I HN 0.758 nan 8.210 nan 0.000 0.445 170 W N 8.121 129.370 121.300 -0.085 0.000 2.433 170 W HA 0.330 4.990 4.660 -0.001 0.000 0.331 170 W C 0.045 176.533 176.519 -0.051 0.000 1.110 170 W CA -1.289 56.020 57.345 -0.061 0.000 1.450 170 W CB 0.523 29.947 29.460 -0.061 0.000 1.348 170 W HN 0.432 nan 8.180 nan 0.000 0.415 171 K N 5.042 125.442 120.400 0.001 0.000 2.250 171 K HA 0.216 4.535 4.320 -0.001 0.000 0.280 171 K C 0.124 176.579 176.600 -0.241 0.000 1.098 171 K CA -0.123 56.065 56.287 -0.166 0.000 0.916 171 K CB 0.424 32.895 32.500 -0.049 0.000 1.209 171 K HN 0.311 nan 8.250 nan 0.000 0.461 172 S N 2.835 118.192 115.700 -0.571 0.000 2.505 172 S HA 0.015 4.484 4.470 -0.001 0.000 0.276 172 S C 0.943 175.441 174.600 -0.171 0.000 1.274 172 S CA -0.313 57.613 58.200 -0.456 0.000 1.053 172 S CB 0.964 63.707 63.200 -0.762 0.000 0.919 172 S HN 0.778 nan 8.310 nan 0.000 0.490 173 E N 3.621 123.800 120.200 -0.035 0.000 2.158 173 E HA -0.065 4.285 4.350 -0.001 0.000 0.191 173 E C 2.021 178.611 176.600 -0.017 0.000 0.982 173 E CA 0.418 56.811 56.400 -0.013 0.000 0.823 173 E CB 0.094 29.810 29.700 0.027 0.000 0.766 173 E HN 0.750 nan 8.360 nan 0.000 0.468 174 R N 0.132 120.629 120.500 -0.006 0.000 2.093 174 R HA 0.009 4.348 4.340 -0.001 0.000 0.224 174 R C 2.095 178.380 176.300 -0.025 0.000 1.101 174 R CA 0.691 56.794 56.100 0.005 0.000 0.979 174 R CB 0.108 30.434 30.300 0.044 0.000 0.877 174 R HN 0.140 nan 8.270 nan 0.000 0.441 175 L N 0.005 121.178 121.223 -0.083 0.000 2.554 175 L HA 0.172 4.512 4.340 -0.001 0.000 0.225 175 L C 0.898 177.720 176.870 -0.081 0.000 1.104 175 L CA 0.133 54.922 54.840 -0.087 0.000 0.866 175 L CB 0.107 42.078 42.059 -0.146 0.000 1.047 175 L HN 0.199 nan 8.230 nan 0.000 0.468 176 K N 1.788 122.130 120.400 -0.096 0.000 3.192 176 K HA -0.180 4.139 4.320 -0.001 0.000 0.278 176 K C -0.677 175.874 176.600 -0.082 0.000 1.164 176 K CA 0.732 56.976 56.287 -0.072 0.000 0.816 176 K CB -1.189 31.289 32.500 -0.036 0.000 1.256 176 K HN 0.801 nan 8.250 nan 0.000 0.497 177 N N -1.660 116.949 118.700 -0.152 0.000 2.825 177 N HA 0.426 5.166 4.740 -0.001 0.000 0.253 177 N C -1.237 174.113 175.510 -0.268 0.000 1.426 177 N CA -1.111 51.840 53.050 -0.164 0.000 0.851 177 N CB 1.941 40.352 38.487 -0.128 0.000 1.470 177 N HN -0.048 nan 8.380 nan 0.000 0.517 178 S N -0.453 115.115 115.700 -0.220 0.000 2.664 178 S HA 0.714 5.183 4.470 -0.001 0.000 0.304 178 S C -0.617 173.865 174.600 -0.196 0.000 1.099 178 S CA -0.919 57.147 58.200 -0.224 0.000 1.003 178 S CB 1.451 64.573 63.200 -0.130 0.000 1.092 178 S HN 0.680 nan 8.310 nan 0.000 0.525 179 R N 0.363 120.779 120.500 -0.140 0.000 2.716 179 R HA 0.469 4.808 4.340 -0.001 0.000 0.271 179 R C -1.671 174.603 176.300 -0.044 0.000 1.028 179 R CA -1.027 55.030 56.100 -0.072 0.000 0.883 179 R CB 1.045 31.325 30.300 -0.032 0.000 1.250 179 R HN 0.536 nan 8.270 nan 0.000 0.465 180 R N 0.590 121.017 120.500 -0.121 0.000 2.490 180 R HA 0.540 4.880 4.340 -0.001 0.000 0.278 180 R C -0.459 175.599 176.300 -0.404 0.000 1.069 180 R CA -0.581 55.305 56.100 -0.357 0.000 1.080 180 R CB 1.280 31.204 30.300 -0.626 0.000 1.030 180 R HN 0.332 nan 8.270 nan 0.000 0.491 181 V N 2.382 122.020 119.914 -0.460 0.000 2.709 181 V HA 0.347 4.466 4.120 -0.001 0.000 0.308 181 V C -0.828 175.089 176.094 -0.296 0.000 1.062 181 V CA -0.877 61.299 62.300 -0.207 0.000 0.901 181 V CB 2.001 33.829 31.823 0.009 0.000 1.003 181 V HN 0.674 nan 8.190 nan 0.000 0.425 182 W N 5.185 126.623 121.300 0.231 0.000 2.376 182 W HA 0.624 5.284 4.660 -0.001 0.000 0.312 182 W C -0.731 175.969 176.519 0.300 0.000 1.060 182 W CA -0.586 56.928 57.345 0.281 0.000 1.221 182 W CB 1.704 31.449 29.460 0.474 0.000 1.281 182 W HN 0.414 nan 8.180 nan 0.000 0.456 183 I N 4.433 125.237 120.570 0.391 0.000 2.359 183 I HA 0.279 4.448 4.170 -0.001 0.000 0.284 183 I C -0.839 175.501 176.117 0.373 0.000 1.018 183 I CA -0.599 60.898 61.300 0.328 0.000 1.173 183 I CB 0.739 38.843 38.000 0.172 0.000 1.326 183 I HN 0.167 nan 8.210 nan 0.000 0.462 184 F N 6.127 126.272 119.950 0.325 0.000 2.460 184 F HA 0.507 5.033 4.527 -0.001 0.000 0.341 184 F C 0.220 176.221 175.800 0.335 0.000 1.130 184 F CA -0.388 57.792 58.000 0.300 0.000 0.962 184 F CB 1.453 40.771 39.000 0.530 0.000 1.171 184 F HN 0.438 nan 8.300 nan 0.000 0.436 185 T N 1.478 115.818 114.554 -0.356 0.000 2.824 185 T HA 0.589 4.939 4.350 -0.001 0.000 0.280 185 T C -0.195 174.280 174.700 -0.374 0.000 0.995 185 T CA -0.633 61.336 62.100 -0.219 0.000 1.009 185 T CB 1.429 70.228 68.868 -0.116 0.000 0.955 185 T HN 0.667 nan 8.240 nan 0.000 0.452 186 T N -0.852 113.641 114.554 -0.100 0.000 2.792 186 T HA 0.737 5.086 4.350 -0.001 0.000 0.280 186 T C 0.301 174.975 174.700 -0.044 0.000 0.990 186 T CA -0.184 61.892 62.100 -0.040 0.000 0.960 186 T CB 0.731 69.688 68.868 0.148 0.000 0.939 186 T HN 1.971 nan 8.240 nan 0.000 0.439 187 G N 2.173 110.939 108.800 -0.057 0.000 3.225 187 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.686 187 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.686 187 G C -0.312 174.545 174.900 -0.072 0.000 1.105 187 G CA -0.311 44.746 45.100 -0.070 0.000 0.831 187 G HN 0.753 nan 8.290 nan 0.000 0.578 188 D N -0.172 120.189 120.400 -0.065 0.000 2.433 188 D HA 0.425 5.064 4.640 -0.001 0.000 0.211 188 D C 0.869 177.138 176.300 -0.053 0.000 1.114 188 D CA 1.060 55.026 54.000 -0.058 0.000 0.837 188 D CB 1.080 41.849 40.800 -0.051 0.000 0.984 188 D HN 1.192 nan 8.370 nan 0.000 0.505 194 R N 3.169 123.622 120.500 -0.077 0.000 2.484 194 R HA 0.104 4.444 4.340 -0.001 0.000 0.293 194 R C -2.066 174.178 176.300 -0.094 0.000 1.023 194 R CA -0.751 55.278 56.100 -0.119 0.000 1.037 194 R CB 0.324 30.572 30.300 -0.086 0.000 0.951 194 R HN 0.163 nan 8.270 nan 0.000 0.418 195 P HA -0.047 nan 4.420 nan 0.000 0.269 195 P C -1.059 176.210 177.300 -0.051 0.000 1.215 195 P CA -0.192 62.824 63.100 -0.142 0.000 0.780 195 P CB 0.701 32.124 31.700 -0.462 0.000 0.898 196 L N 1.575 122.844 121.223 0.076 0.000 2.317 196 L HA 0.733 5.072 4.340 -0.001 0.000 0.281 196 L C -0.946 175.963 176.870 0.065 0.000 1.024 196 L CA -0.642 54.135 54.840 -0.104 0.000 0.810 196 L CB 1.409 43.178 42.059 -0.483 0.000 1.240 196 L HN 0.475 nan 8.230 nan 0.000 0.427 197 A N 4.840 127.647 122.820 -0.023 0.000 2.357 197 A HA 0.687 5.006 4.320 -0.001 0.000 0.295 197 A C -1.369 176.266 177.584 0.084 0.000 1.121 197 A CA -0.532 51.528 52.037 0.039 0.000 0.742 197 A CB 1.326 20.365 19.000 0.065 0.000 1.181 197 A HN 0.490 nan 8.150 nan 0.000 0.454 198 V N 3.858 123.819 119.914 0.079 0.000 2.364 198 V HA 0.301 4.420 4.120 -0.001 0.000 0.272 198 V C -0.497 175.678 176.094 0.135 0.000 1.036 198 V CA -0.163 62.213 62.300 0.128 0.000 0.880 198 V CB 0.788 32.704 31.823 0.155 0.000 0.991 198 V HN 0.714 nan 8.190 nan 0.000 0.460 199 L N 6.521 127.845 121.223 0.169 0.000 2.272 199 L HA 0.477 4.816 4.340 -0.001 0.000 0.289 199 L C 0.101 177.103 176.870 0.221 0.000 1.032 199 L CA 0.294 55.214 54.840 0.133 0.000 0.810 199 L CB 1.198 43.305 42.059 0.079 0.000 1.205 199 L HN 0.431 nan 8.230 nan 0.000 0.422 200 L N 2.663 124.007 121.223 0.201 0.000 2.468 200 L HA 0.276 4.615 4.340 -0.001 0.000 0.254 200 L C 0.296 177.321 176.870 0.258 0.000 1.171 200 L CA -0.598 54.372 54.840 0.215 0.000 0.809 200 L CB 0.268 42.414 42.059 0.145 0.000 1.155 200 L HN 0.641 nan 8.230 nan 0.000 0.473 201 D N 1.202 121.729 120.400 0.212 0.000 2.699 201 D HA -0.150 4.489 4.640 -0.001 0.000 0.239 201 D C 1.156 177.641 176.300 0.309 0.000 1.136 201 D CA 0.942 55.068 54.000 0.209 0.000 0.668 201 D CB -0.749 40.134 40.800 0.139 0.000 1.060 201 D HN 0.948 nan 8.370 nan 0.000 0.429 202 G N 0.218 109.231 108.800 0.356 0.000 2.448 202 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.219 202 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.219 202 G C 1.440 176.406 174.900 0.110 0.000 1.127 202 G CA 1.043 46.374 45.100 0.387 0.000 0.766 202 G HN 0.416 nan 8.290 nan 0.000 0.552 203 E N -0.035 120.279 120.200 0.191 0.000 2.110 203 E HA -0.091 4.258 4.350 -0.001 0.000 0.193 203 E C 1.895 178.361 176.600 -0.223 0.000 0.988 203 E CA 0.697 57.063 56.400 -0.057 0.000 0.804 203 E CB -0.397 29.426 29.700 0.205 0.000 0.745 203 E HN 0.471 nan 8.360 nan 0.000 0.458 204 F N -0.266 119.533 119.950 -0.251 0.000 2.084 204 F HA -0.081 4.445 4.527 -0.001 0.000 0.296 204 F C 1.250 176.702 175.800 -0.581 0.000 1.111 204 F CA 1.317 59.047 58.000 -0.450 0.000 1.224 204 F CB -0.104 38.521 39.000 -0.625 0.000 0.991 204 F HN -0.019 nan 8.300 nan 0.000 0.471 205 W N -0.576 120.653 121.300 -0.118 0.000 3.047 205 W HA 0.234 4.893 4.660 -0.001 0.000 0.250 205 W C 2.023 178.136 176.519 -0.676 0.000 1.314 205 W CA 0.627 57.787 57.345 -0.308 0.000 1.540 205 W CB -0.423 28.925 29.460 -0.186 0.000 1.127 205 W HN 0.060 nan 8.180 nan 0.000 0.679 206 A N -0.700 121.786 122.820 -0.558 0.000 1.993 206 A HA 0.059 4.378 4.320 -0.001 0.000 0.207 206 A C 1.803 179.134 177.584 -0.421 0.000 1.224 206 A CA 0.730 52.361 52.037 -0.677 0.000 0.749 206 A CB 0.104 18.383 19.000 -1.203 0.000 0.884 206 A HN 0.265 nan 8.150 nan 0.000 0.467 207 Q N -1.073 118.447 119.800 -0.467 0.000 2.548 207 Q HA 0.245 4.584 4.340 -0.001 0.000 0.230 207 Q C 0.867 176.670 176.000 -0.328 0.000 0.899 207 Q CA 0.142 55.783 55.803 -0.270 0.000 0.936 207 Q CB 0.452 29.098 28.738 -0.155 0.000 1.114 207 Q HN 0.468 nan 8.270 nan 0.000 0.606 211 V N 1.002 120.225 119.914 -1.151 0.000 3.644 211 V HA 0.068 4.187 4.120 -0.001 0.000 0.267 211 V C 0.893 176.455 176.094 -0.885 0.000 1.277 211 V CA 0.275 62.079 62.300 -0.826 0.000 1.096 211 V CB -0.278 31.149 31.823 -0.660 0.000 0.828 211 V HN 0.671 nan 8.190 nan 0.000 0.446 212 W N 1.308 122.272 121.300 -0.561 0.000 2.335 212 W HA -0.057 4.602 4.660 -0.001 0.000 0.311 212 W C -0.295 175.982 176.519 -0.404 0.000 1.213 212 W CA 1.516 58.389 57.345 -0.786 0.000 1.274 212 W CB -2.211 26.715 29.460 -0.891 0.000 1.148 212 W HN 0.309 nan 8.180 nan 0.000 0.498 213 P HA -0.072 nan 4.420 nan 0.000 0.233 213 P C 1.346 178.494 177.300 -0.254 0.000 1.167 213 P CA 1.171 64.197 63.100 -0.123 0.000 0.770 213 P CB 0.013 31.643 31.700 -0.118 0.000 0.837 214 V N -1.221 118.414 119.914 -0.465 0.000 2.992 214 V HA -0.044 4.075 4.120 -0.001 0.000 0.250 214 V C 2.203 178.072 176.094 -0.374 0.000 1.090 214 V CA 1.008 62.943 62.300 -0.609 0.000 1.101 214 V CB -0.893 30.165 31.823 -1.275 0.000 0.743 214 V HN 0.050 nan 8.190 nan 0.000 0.468 215 L N -0.116 120.931 121.223 -0.293 0.000 2.072 215 L HA -0.098 4.241 4.340 -0.001 0.000 0.205 215 L C 2.649 179.581 176.870 0.103 0.000 1.079 215 L CA 1.682 56.459 54.840 -0.105 0.000 0.752 215 L CB -1.019 40.956 42.059 -0.140 0.000 0.906 215 L HN 0.292 nan 8.230 nan 0.000 0.436 216 T N -0.974 113.675 114.554 0.158 0.000 2.684 216 T HA -0.229 4.120 4.350 -0.001 0.000 0.267 216 T C 2.168 176.927 174.700 0.099 0.000 1.036 216 T CA 1.863 64.077 62.100 0.191 0.000 1.148 216 T CB -0.218 68.745 68.868 0.159 0.000 0.863 216 T HN 0.351 nan 8.240 nan 0.000 0.436 217 S N 0.789 116.475 115.700 -0.023 0.000 2.356 217 S HA 0.005 4.475 4.470 -0.001 0.000 0.223 217 S C 2.022 176.632 174.600 0.016 0.000 1.032 217 S CA 0.900 59.069 58.200 -0.051 0.000 1.005 217 S CB -0.478 62.649 63.200 -0.122 0.000 0.867 217 S HN 0.460 nan 8.310 nan 0.000 0.449 218 L N 1.178 122.402 121.223 0.000 0.000 2.291 218 L HA 0.004 4.343 4.340 -0.001 0.000 0.214 218 L C 2.940 179.860 176.870 0.083 0.000 1.120 218 L CA 1.433 56.288 54.840 0.025 0.000 0.799 218 L CB -0.775 41.286 42.059 0.003 0.000 0.925 218 L HN 0.593 nan 8.230 nan 0.000 0.446 219 T N -4.202 110.431 114.554 0.131 0.000 2.894 219 T HA -0.174 4.176 4.350 -0.001 0.000 0.258 219 T C 1.776 176.554 174.700 0.131 0.000 1.043 219 T CA 0.810 62.998 62.100 0.147 0.000 1.141 219 T CB -0.334 68.632 68.868 0.164 0.000 0.873 219 T HN 0.223 nan 8.240 nan 0.000 0.449 220 H N 1.863 120.958 119.070 0.041 0.000 2.292 220 H HA -0.012 4.544 4.556 -0.001 0.000 0.292 220 H C 2.177 177.515 175.328 0.017 0.000 1.100 220 H CA 2.198 58.262 56.048 0.026 0.000 1.238 220 H CB -0.046 29.727 29.762 0.018 0.000 1.355 220 H HN 0.350 nan 8.280 nan 0.000 0.484 221 R N 0.564 121.149 120.500 0.142 0.000 2.320 221 R HA 0.049 4.388 4.340 -0.001 0.000 0.211 221 R C -0.153 176.153 176.300 0.010 0.000 0.931 221 R CA 0.305 56.442 56.100 0.062 0.000 1.071 221 R CB 0.308 30.634 30.300 0.044 0.000 1.025 221 R HN 0.480 nan 8.270 nan 0.000 0.495 222 Q N 0.901 120.716 119.800 0.025 0.000 2.464 222 Q HA -0.206 4.133 4.340 -0.001 0.000 0.304 222 Q C 0.276 176.161 176.000 -0.192 0.000 1.401 222 Q CA 0.869 56.665 55.803 -0.012 0.000 0.806 222 Q CB -1.085 27.649 28.738 -0.007 0.000 1.134 222 Q HN 0.604 nan 8.270 nan 0.000 0.411 223 Q N -1.138 118.588 119.800 -0.123 0.000 2.140 223 Q HA 0.313 4.652 4.340 -0.001 0.000 0.227 223 Q C 0.079 176.081 176.000 0.003 0.000 0.798 223 Q CA -0.075 55.599 55.803 -0.214 0.000 0.987 223 Q CB 0.927 29.598 28.738 -0.111 0.000 1.161 223 Q HN 0.389 nan 8.270 nan 0.000 0.480 224 L N 3.225 124.547 121.223 0.164 0.000 2.365 224 L HA 0.590 4.929 4.340 -0.001 0.000 0.273 224 L C -2.510 174.577 176.870 0.362 0.000 1.000 224 L CA -2.319 52.728 54.840 0.344 0.000 0.819 224 L CB 2.052 44.312 42.059 0.335 0.000 1.284 224 L HN -0.115 nan 8.230 nan 0.000 0.418 225 P HA 0.273 nan 4.420 nan 0.000 0.282 225 P C -2.664 174.522 177.300 -0.190 0.000 1.249 225 P CA -2.013 61.036 63.100 -0.086 0.000 0.806 225 P CB 0.102 31.504 31.700 -0.497 0.000 0.984 226 P HA 0.092 nan 4.420 nan 0.000 0.259 226 P C -0.492 176.648 177.300 -0.267 0.000 1.163 226 P CA 1.136 64.154 63.100 -0.136 0.000 0.760 226 P CB -0.124 31.501 31.700 -0.124 0.000 0.762 227 A N 3.017 125.702 122.820 -0.224 0.000 2.552 227 A HA 0.737 5.056 4.320 -0.001 0.000 0.288 227 A C -1.221 176.205 177.584 -0.263 0.000 1.193 227 A CA -0.542 51.261 52.037 -0.390 0.000 0.713 227 A CB 1.226 19.777 19.000 -0.747 0.000 1.305 227 A HN 0.256 nan 8.150 nan 0.000 0.424 228 V N 0.242 119.962 119.914 -0.324 0.000 2.495 228 V HA 0.518 4.637 4.120 -0.001 0.000 0.298 228 V C -1.558 174.355 176.094 -0.301 0.000 1.031 228 V CA -0.277 61.919 62.300 -0.174 0.000 0.871 228 V CB 1.106 32.898 31.823 -0.051 0.000 0.988 228 V HN 0.699 nan 8.190 nan 0.000 0.432 229 Y N 2.652 123.080 120.300 0.214 0.000 2.331 229 Y HA 0.625 5.174 4.550 -0.001 0.000 0.334 229 Y C -0.148 175.911 175.900 0.265 0.000 0.960 229 Y CA -0.924 57.334 58.100 0.264 0.000 1.130 229 Y CB 2.181 40.872 38.460 0.385 0.000 1.164 229 Y HN 0.357 nan 8.280 nan 0.000 0.458 230 V N 5.746 125.842 119.914 0.304 0.000 2.313 230 V HA 0.304 4.423 4.120 -0.001 0.000 0.278 230 V C -0.653 175.635 176.094 0.323 0.000 1.017 230 V CA -0.680 61.776 62.300 0.260 0.000 0.823 230 V CB 0.918 32.792 31.823 0.085 0.000 1.010 230 V HN 0.500 nan 8.190 nan 0.000 0.443 231 L N 6.598 128.101 121.223 0.466 0.000 2.259 231 L HA 0.506 4.845 4.340 -0.001 0.000 0.288 231 L C -0.037 177.200 176.870 0.612 0.000 1.051 231 L CA 0.319 55.475 54.840 0.526 0.000 0.824 231 L CB 0.890 43.295 42.059 0.576 0.000 1.206 231 L HN 0.469 nan 8.230 nan 0.000 0.429 232 I N 2.046 122.887 120.570 0.451 0.000 2.365 232 I HA 0.200 4.370 4.170 -0.001 0.000 0.291 232 I C 0.321 176.709 176.117 0.453 0.000 1.004 232 I CA -0.751 60.797 61.300 0.413 0.000 1.311 232 I CB 1.145 39.362 38.000 0.361 0.000 1.401 232 I HN 0.464 nan 8.210 nan 0.000 0.491 233 D N 4.717 125.374 120.400 0.427 0.000 2.414 233 D HA 0.148 4.787 4.640 -0.001 0.000 0.242 233 D C 0.631 177.069 176.300 0.231 0.000 1.129 233 D CA 0.041 54.269 54.000 0.380 0.000 0.885 233 D CB 1.698 42.662 40.800 0.274 0.000 1.198 233 D HN 0.666 nan 8.370 nan 0.000 0.437 234 A N 3.654 126.578 122.820 0.174 0.000 2.238 234 A HA 0.235 4.555 4.320 -0.001 0.000 0.210 234 A C 1.716 179.318 177.584 0.031 0.000 1.179 234 A CA 0.472 52.556 52.037 0.079 0.000 0.827 234 A CB -0.387 18.647 19.000 0.057 0.000 0.856 234 A HN 0.794 nan 8.150 nan 0.000 0.488 235 I N -1.793 118.796 120.570 0.031 0.000 4.865 235 I HA -0.390 3.779 4.170 -0.001 0.000 0.039 235 I C 0.244 176.360 176.117 -0.003 0.000 0.634 235 I CA 1.914 63.178 61.300 -0.060 0.000 0.400 235 I CB -1.201 36.613 38.000 -0.310 0.000 0.434 235 I HN 0.632 nan 8.210 nan 0.000 0.151 236 D N -1.199 119.228 120.400 0.045 0.000 2.752 236 D HA 0.410 5.049 4.640 -0.001 0.000 0.313 236 D C 0.186 176.556 176.300 0.116 0.000 1.225 236 D CA 0.157 54.221 54.000 0.107 0.000 0.976 236 D CB 0.828 41.720 40.800 0.154 0.000 1.443 236 D HN 0.133 nan 8.370 nan 0.000 0.515 237 T N -0.882 113.723 114.554 0.084 0.000 2.857 237 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 237 T C 1.586 176.291 174.700 0.009 0.000 1.048 237 T CA 1.923 64.056 62.100 0.056 0.000 1.139 237 T CB -0.442 68.454 68.868 0.047 0.000 0.874 237 T HN 0.533 nan 8.240 nan 0.000 0.455 238 T N 0.963 115.509 114.554 -0.014 0.000 2.701 238 T HA -0.080 4.269 4.350 -0.001 0.000 0.263 238 T C 1.721 176.293 174.700 -0.212 0.000 1.040 238 T CA 1.338 63.337 62.100 -0.167 0.000 1.147 238 T CB -0.418 68.362 68.868 -0.147 0.000 0.865 238 T HN 0.509 nan 8.240 nan 0.000 0.426 239 H N 0.733 119.773 119.070 -0.051 0.000 2.289 239 H HA 0.006 4.561 4.556 -0.001 0.000 0.296 239 H C 2.543 177.796 175.328 -0.126 0.000 1.091 239 H CA 1.685 57.710 56.048 -0.039 0.000 1.274 239 H CB -0.069 29.677 29.762 -0.027 0.000 1.364 239 H HN 0.083 nan 8.280 nan 0.000 0.490 240 R N 0.758 121.265 120.500 0.012 0.000 2.120 240 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 240 R C 2.248 178.426 176.300 -0.204 0.000 1.123 240 R CA 1.078 57.123 56.100 -0.091 0.000 0.975 240 R CB -0.254 30.050 30.300 0.007 0.000 0.866 240 R HN 0.383 nan 8.270 nan 0.000 0.446 241 A N -0.164 122.535 122.820 -0.203 0.000 1.930 241 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 241 A C 1.657 178.976 177.584 -0.442 0.000 1.175 241 A CA 1.486 53.316 52.037 -0.344 0.000 0.627 241 A CB -0.537 18.292 19.000 -0.285 0.000 0.815 241 A HN 0.557 nan 8.150 nan 0.000 0.443 242 H N -1.226 117.707 119.070 -0.229 0.000 2.431 242 H HA 0.087 4.642 4.556 -0.001 0.000 0.295 242 H C 1.943 177.089 175.328 -0.304 0.000 1.038 242 H CA 1.091 57.007 56.048 -0.221 0.000 1.360 242 H CB 0.238 29.905 29.762 -0.159 0.000 1.433 242 H HN 0.580 nan 8.280 nan 0.000 0.536 243 E N 0.362 120.418 120.200 -0.240 0.000 2.216 243 E HA 0.001 4.351 4.350 -0.001 0.000 0.192 243 E C 1.831 177.995 176.600 -0.726 0.000 0.973 243 E CA 0.159 56.306 56.400 -0.421 0.000 0.851 243 E CB 0.433 29.874 29.700 -0.432 0.000 0.804 243 E HN 0.357 nan 8.360 nan 0.000 0.477 244 L N 0.960 121.768 121.223 -0.692 0.000 2.095 244 L HA 0.008 4.347 4.340 -0.001 0.000 0.204 244 L C -1.248 175.219 176.870 -0.670 0.000 1.080 244 L CA 0.673 55.114 54.840 -0.665 0.000 0.759 244 L CB -0.916 40.869 42.059 -0.456 0.000 0.914 244 L HN -0.083 nan 8.230 nan 0.000 0.439 245 P HA 0.156 nan 4.420 nan 0.000 0.256 245 P C -0.357 176.183 177.300 -1.266 0.000 1.689 245 P CA -0.086 62.173 63.100 -1.401 0.000 1.124 245 P CB -0.064 30.351 31.700 -2.143 0.000 1.766 246 C N 1.182 119.918 119.300 -0.940 0.000 4.209 246 C HA -0.159 4.300 4.460 -0.001 0.000 0.305 246 C C 0.680 175.214 174.990 -0.762 0.000 1.339 246 C CA 0.088 58.435 59.018 -1.117 0.000 2.062 246 C CB -2.764 24.507 27.740 -0.783 0.000 1.307 246 C HN 0.587 nan 8.230 nan 0.000 0.706 247 N N 0.084 118.500 118.700 -0.473 0.000 2.417 247 N HA 0.648 5.387 4.740 -0.001 0.000 0.274 247 N C 0.422 176.042 175.510 0.183 0.000 0.987 247 N CA 0.128 53.099 53.050 -0.133 0.000 0.912 247 N CB 1.677 40.077 38.487 -0.145 0.000 1.177 247 N HN 0.384 nan 8.380 nan 0.000 0.490 248 A N 3.300 126.320 122.820 0.332 0.000 1.898 248 A HA -0.054 4.266 4.320 -0.001 0.000 0.214 248 A C 1.437 179.265 177.584 0.407 0.000 1.183 248 A CA 1.050 53.450 52.037 0.605 0.000 0.622 248 A CB -0.288 19.057 19.000 0.576 0.000 0.824 248 A HN 0.761 nan 8.150 nan 0.000 0.444 249 D N -0.730 119.822 120.400 0.252 0.000 2.172 249 D HA -0.213 4.426 4.640 -0.001 0.000 0.196 249 D C 1.583 177.967 176.300 0.140 0.000 0.999 249 D CA 1.608 55.711 54.000 0.171 0.000 0.856 249 D CB -0.384 40.483 40.800 0.111 0.000 0.934 249 D HN 0.546 nan 8.370 nan 0.000 0.453 250 F N -0.431 119.489 119.950 -0.050 0.000 2.113 250 F HA -0.143 4.384 4.527 -0.001 0.000 0.297 250 F C 2.146 177.822 175.800 -0.207 0.000 1.103 250 F CA 1.349 59.232 58.000 -0.195 0.000 1.248 250 F CB -0.354 38.394 39.000 -0.421 0.000 0.999 250 F HN -0.051 nan 8.300 nan 0.000 0.475 251 W N 0.307 121.602 121.300 -0.009 0.000 2.476 251 W HA -0.028 4.631 4.660 -0.001 0.000 0.281 251 W C 2.131 178.355 176.519 -0.492 0.000 1.230 251 W CA 0.422 57.571 57.345 -0.327 0.000 1.287 251 W CB -0.210 28.996 29.460 -0.423 0.000 1.108 251 W HN 0.009 nan 8.180 nan 0.000 0.567 252 L N -0.158 121.010 121.223 -0.092 0.000 2.056 252 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 252 L C 2.721 179.588 176.870 -0.004 0.000 1.078 252 L CA 1.168 55.976 54.840 -0.055 0.000 0.749 252 L CB -1.262 40.864 42.059 0.110 0.000 0.901 252 L HN -0.037 nan 8.230 nan 0.000 0.433 253 A N 0.081 122.918 122.820 0.028 0.000 1.884 253 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 253 A C 2.334 179.978 177.584 0.100 0.000 1.197 253 A CA 2.351 54.474 52.037 0.142 0.000 0.637 253 A CB -1.078 18.018 19.000 0.159 0.000 0.827 253 A HN 0.198 nan 8.150 nan 0.000 0.450 254 V N 0.018 119.863 119.914 -0.115 0.000 2.287 254 V HA -0.341 3.779 4.120 -0.001 0.000 0.248 254 V C 2.627 178.640 176.094 -0.134 0.000 1.053 254 V CA 2.389 64.528 62.300 -0.269 0.000 1.027 254 V CB -0.974 30.742 31.823 -0.179 0.000 0.646 254 V HN 0.687 nan 8.190 nan 0.000 0.447 255 Q N -0.846 118.930 119.800 -0.039 0.000 2.245 255 Q HA -0.155 4.184 4.340 -0.001 0.000 0.201 255 Q C 2.249 178.221 176.000 -0.048 0.000 0.955 255 Q CA 1.136 56.911 55.803 -0.048 0.000 0.870 255 Q CB -0.049 28.617 28.738 -0.120 0.000 0.945 255 Q HN 0.713 nan 8.270 nan 0.000 0.461 256 Q N 0.375 120.159 119.800 -0.028 0.000 2.178 256 Q HA -0.058 4.281 4.340 -0.001 0.000 0.195 256 Q C 1.581 177.582 176.000 0.001 0.000 0.960 256 Q CA 0.918 56.724 55.803 0.004 0.000 0.843 256 Q CB 0.334 29.098 28.738 0.042 0.000 0.927 256 Q HN 0.348 nan 8.270 nan 0.000 0.487 257 E N 0.181 120.391 120.200 0.016 0.000 2.127 257 E HA -0.052 4.297 4.350 -0.001 0.000 0.191 257 E C 1.715 178.178 176.600 -0.228 0.000 0.964 257 E CA 0.324 56.746 56.400 0.037 0.000 0.832 257 E CB 0.199 30.122 29.700 0.371 0.000 0.790 257 E HN 0.060 nan 8.360 nan 0.000 0.465 258 L N 0.972 121.862 121.223 -0.554 0.000 2.145 258 L HA 0.039 4.379 4.340 -0.001 0.000 0.201 258 L C 1.966 178.619 176.870 -0.361 0.000 1.075 258 L CA 1.169 55.504 54.840 -0.842 0.000 0.773 258 L CB -0.204 40.993 42.059 -1.436 0.000 0.936 258 L HN 0.095 nan 8.230 nan 0.000 0.451 259 L N -0.028 121.074 121.223 -0.200 0.000 1.989 259 L HA -0.180 4.159 4.340 -0.001 0.000 0.211 259 L C -0.035 176.882 176.870 0.079 0.000 1.071 259 L CA 1.748 56.606 54.840 0.031 0.000 0.749 259 L CB -2.137 39.988 42.059 0.110 0.000 0.890 259 L HN 0.236 nan 8.230 nan 0.000 0.431 260 P HA -0.238 nan 4.420 nan 0.000 0.214 260 P C 1.762 179.049 177.300 -0.022 0.000 1.169 260 P CA 1.293 64.379 63.100 -0.023 0.000 0.908 260 P CB -0.114 31.567 31.700 -0.033 0.000 0.791 261 L N -0.483 120.710 121.223 -0.050 0.000 2.051 261 L HA -0.180 4.160 4.340 -0.001 0.000 0.214 261 L C 2.135 178.996 176.870 -0.015 0.000 1.076 261 L CA 2.033 56.845 54.840 -0.045 0.000 0.758 261 L CB -1.275 40.727 42.059 -0.096 0.000 0.890 261 L HN -0.167 nan 8.230 nan 0.000 0.433 262 V N -0.637 119.282 119.914 0.009 0.000 2.379 262 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 262 V C 2.615 178.805 176.094 0.160 0.000 1.044 262 V CA 1.807 64.159 62.300 0.085 0.000 1.036 262 V CB -0.553 31.334 31.823 0.107 0.000 0.664 262 V HN 0.464 nan 8.190 nan 0.000 0.453 263 K N -0.243 120.253 120.400 0.161 0.000 2.015 263 K HA -0.230 4.089 4.320 -0.001 0.000 0.216 263 K C 2.106 178.688 176.600 -0.029 0.000 1.052 263 K CA 1.973 58.246 56.287 -0.023 0.000 0.937 263 K CB -0.658 31.708 32.500 -0.223 0.000 0.719 263 K HN 0.276 nan 8.250 nan 0.000 0.446 264 V N 1.319 121.216 119.914 -0.028 0.000 2.250 264 V HA -0.321 3.798 4.120 -0.001 0.000 0.253 264 V C 2.203 178.291 176.094 -0.009 0.000 1.065 264 V CA 2.017 64.302 62.300 -0.025 0.000 1.039 264 V CB -0.365 31.447 31.823 -0.019 0.000 0.647 264 V HN 0.268 nan 8.190 nan 0.000 0.446 265 I N -0.543 120.034 120.570 0.013 0.000 2.233 265 I HA 0.045 4.214 4.170 -0.001 0.000 0.243 265 I C 1.107 177.241 176.117 0.029 0.000 1.093 265 I CA 1.413 62.725 61.300 0.020 0.000 1.380 265 I CB -0.367 37.650 38.000 0.028 0.000 1.067 265 I HN 0.301 nan 8.210 nan 0.000 0.413 266 A N 0.606 123.465 122.820 0.065 0.000 2.745 266 A HA 0.604 4.923 4.320 -0.001 0.000 0.301 266 A C -2.595 175.076 177.584 0.144 0.000 1.188 266 A CA -1.151 50.936 52.037 0.083 0.000 0.746 266 A CB -0.004 19.054 19.000 0.097 0.000 1.207 266 A HN -0.109 nan 8.150 nan 0.000 0.432 267 P HA 0.365 nan 4.420 nan 0.000 0.264 267 P C -0.619 176.701 177.300 0.032 0.000 1.193 267 P CA 0.602 63.666 63.100 -0.060 0.000 0.763 267 P CB 0.014 31.662 31.700 -0.088 0.000 0.810 268 F N -0.439 119.476 119.950 -0.058 0.000 2.650 268 F HA 0.700 5.226 4.527 -0.001 0.000 0.320 268 F C 0.201 175.964 175.800 -0.063 0.000 1.091 268 F CA -1.548 56.412 58.000 -0.066 0.000 0.962 268 F CB 0.559 39.526 39.000 -0.054 0.000 1.363 268 F HN 0.152 nan 8.300 nan 0.000 0.482 269 S N -0.386 115.408 115.700 0.156 0.000 2.596 269 S HA 0.188 4.657 4.470 -0.001 0.000 0.260 269 S C 0.050 174.714 174.600 0.107 0.000 1.336 269 S CA -0.091 58.143 58.200 0.056 0.000 0.993 269 S CB 0.304 63.528 63.200 0.041 0.000 0.923 269 S HN 0.716 nan 8.310 nan 0.000 0.567 270 D N 0.676 121.088 120.400 0.019 0.000 2.469 270 D HA 0.165 4.805 4.640 -0.001 0.000 0.213 270 D C -0.157 176.154 176.300 0.017 0.000 1.135 270 D CA -0.039 53.972 54.000 0.019 0.000 0.834 270 D CB 0.233 41.003 40.800 -0.050 0.000 1.009 270 D HN 0.470 nan 8.370 nan 0.000 0.507 271 R N 0.839 121.355 120.500 0.027 0.000 2.449 271 R HA 0.347 4.687 4.340 -0.001 0.000 0.296 271 R C 1.075 177.401 176.300 0.044 0.000 1.047 271 R CA -0.058 56.057 56.100 0.026 0.000 1.018 271 R CB 0.927 31.244 30.300 0.028 0.000 0.962 271 R HN -0.080 nan 8.270 nan 0.000 0.428 272 A N 3.531 126.367 122.820 0.026 0.000 2.014 272 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 272 A C 1.305 178.930 177.584 0.069 0.000 1.163 272 A CA 1.148 53.202 52.037 0.029 0.000 0.652 272 A CB -0.105 18.898 19.000 0.005 0.000 0.808 272 A HN 0.856 nan 8.150 nan 0.000 0.449 273 D N 0.296 120.737 120.400 0.070 0.000 2.378 273 D HA -0.166 4.474 4.640 -0.001 0.000 0.222 273 D C 1.189 177.572 176.300 0.139 0.000 0.980 273 D CA 1.104 55.158 54.000 0.090 0.000 0.907 273 D CB -0.298 40.544 40.800 0.071 0.000 0.899 273 D HN 0.778 nan 8.370 nan 0.000 0.527 274 R N -0.551 120.051 120.500 0.170 0.000 2.590 274 R HA 0.227 4.566 4.340 -0.001 0.000 0.410 274 R C -0.374 176.147 176.300 0.368 0.000 1.010 274 R CA -0.467 55.819 56.100 0.310 0.000 1.155 274 R CB -0.150 30.280 30.300 0.216 0.000 1.455 274 R HN -0.212 nan 8.270 nan 0.000 0.567 275 T N 1.410 116.094 114.554 0.217 0.000 2.749 275 T HA 0.391 4.741 4.350 -0.001 0.000 0.287 275 T C -0.347 174.441 174.700 0.146 0.000 0.970 275 T CA -0.382 61.833 62.100 0.192 0.000 0.980 275 T CB 2.237 71.184 68.868 0.132 0.000 0.924 275 T HN -0.061 nan 8.240 nan 0.000 0.456 276 V N 4.134 124.098 119.914 0.083 0.000 2.483 276 V HA 0.526 4.645 4.120 -0.001 0.000 0.295 276 V C -0.190 175.890 176.094 -0.024 0.000 1.035 276 V CA -0.721 61.539 62.300 -0.067 0.000 0.896 276 V CB 1.916 33.539 31.823 -0.333 0.000 0.986 276 V HN 0.720 nan 8.190 nan 0.000 0.447 277 V N 3.214 123.079 119.914 -0.081 0.000 2.409 277 V HA 0.860 4.980 4.120 -0.001 0.000 0.291 277 V C 0.119 176.156 176.094 -0.095 0.000 1.020 277 V CA -0.597 61.636 62.300 -0.113 0.000 0.848 277 V CB 1.403 33.054 31.823 -0.287 0.000 0.990 277 V HN 0.983 nan 8.190 nan 0.000 0.430 278 A N 3.323 126.104 122.820 -0.066 0.000 2.343 278 A HA 1.009 5.328 4.320 -0.001 0.000 0.316 278 A C 0.067 177.614 177.584 -0.062 0.000 1.104 278 A CA -0.064 51.909 52.037 -0.107 0.000 0.768 278 A CB 1.748 20.641 19.000 -0.179 0.000 1.213 278 A HN 1.292 nan 8.150 nan 0.000 0.456 279 G N 0.495 109.236 108.800 -0.098 0.000 2.690 279 G HA2 0.592 4.551 3.960 -0.001 0.000 0.291 279 G HA3 0.592 4.551 3.960 -0.001 0.000 0.291 279 G C -1.662 173.096 174.900 -0.237 0.000 1.403 279 G CA -0.555 44.489 45.100 -0.092 0.000 0.864 279 G HN 0.690 nan 8.290 nan 0.000 0.480 280 Q N -0.076 119.533 119.800 -0.318 0.000 2.413 280 Q HA 0.721 5.060 4.340 -0.001 0.000 0.276 280 Q C 0.697 176.338 176.000 -0.597 0.000 1.099 280 Q CA 0.108 55.486 55.803 -0.707 0.000 0.814 280 Q CB 2.142 30.145 28.738 -1.225 0.000 1.379 280 Q HN 0.871 nan 8.270 nan 0.000 0.436 281 S N 0.054 115.375 115.700 -0.633 0.000 4.155 281 S HA -0.323 4.147 4.470 -0.001 0.000 0.542 281 S C 1.032 175.487 174.600 -0.241 0.000 1.863 281 S CA 1.820 59.820 58.200 -0.333 0.000 4.239 281 S CB -1.282 61.746 63.200 -0.287 0.000 0.331 281 S HN 0.577 nan 8.310 nan 0.000 0.461 282 F N 2.923 122.746 119.950 -0.212 0.000 2.206 282 F HA 0.188 4.714 4.527 -0.001 0.000 0.298 282 F C 2.766 178.398 175.800 -0.280 0.000 1.090 282 F CA 1.045 58.874 58.000 -0.285 0.000 1.323 282 F CB -1.396 37.443 39.000 -0.268 0.000 1.028 282 F HN 0.572 nan 8.300 nan 0.000 0.492 283 G N -0.858 107.924 108.800 -0.029 0.000 2.534 283 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.217 283 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.217 283 G C 1.952 176.828 174.900 -0.040 0.000 1.128 283 G CA 0.759 45.840 45.100 -0.032 0.000 0.784 283 G HN 0.513 nan 8.290 nan 0.000 0.542 284 G N 0.204 108.922 108.800 -0.135 0.000 2.494 284 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.216 284 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.216 284 G C 1.553 176.382 174.900 -0.118 0.000 1.140 284 G CA 0.300 45.315 45.100 -0.143 0.000 0.801 284 G HN 0.377 nan 8.290 nan 0.000 0.536 285 L N 0.465 121.558 121.223 -0.217 0.000 2.109 285 L HA 0.039 4.378 4.340 -0.001 0.000 0.207 285 L C 2.755 179.653 176.870 0.047 0.000 1.086 285 L CA 1.589 56.325 54.840 -0.174 0.000 0.760 285 L CB -0.150 41.733 42.059 -0.293 0.000 0.910 285 L HN 0.343 nan 8.230 nan 0.000 0.437 286 S N -0.525 115.191 115.700 0.026 0.000 2.387 286 S HA -0.068 4.401 4.470 -0.001 0.000 0.226 286 S C 2.070 176.869 174.600 0.331 0.000 1.026 286 S CA 0.992 59.319 58.200 0.211 0.000 0.972 286 S CB -0.013 63.282 63.200 0.158 0.000 0.814 286 S HN 0.573 nan 8.310 nan 0.000 0.477 287 A N 2.251 125.180 122.820 0.181 0.000 1.851 287 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 287 A C 2.208 179.804 177.584 0.020 0.000 1.195 287 A CA 1.600 53.665 52.037 0.046 0.000 0.622 287 A CB -1.240 17.767 19.000 0.012 0.000 0.831 287 A HN 0.560 nan 8.150 nan 0.000 0.444 288 L N -1.683 119.618 121.223 0.131 0.000 1.997 288 L HA -0.276 4.064 4.340 -0.001 0.000 0.216 288 L C 2.596 179.568 176.870 0.170 0.000 1.074 288 L CA 2.705 57.650 54.840 0.174 0.000 0.763 288 L CB -0.515 41.734 42.059 0.317 0.000 0.890 288 L HN 0.690 nan 8.230 nan 0.000 0.434 289 Y N 0.041 120.395 120.300 0.089 0.000 2.352 289 Y HA -0.184 4.365 4.550 -0.001 0.000 0.292 289 Y C 2.266 178.185 175.900 0.031 0.000 1.136 289 Y CA 1.330 59.484 58.100 0.090 0.000 1.227 289 Y CB -0.174 38.337 38.460 0.085 0.000 0.991 289 Y HN 0.230 nan 8.280 nan 0.000 0.545 290 A N -0.160 122.593 122.820 -0.111 0.000 2.067 290 A HA 0.013 4.332 4.320 -0.001 0.000 0.219 290 A C 2.297 179.822 177.584 -0.099 0.000 1.158 290 A CA 1.441 53.140 52.037 -0.563 0.000 0.661 290 A CB -1.282 16.662 19.000 -1.759 0.000 0.801 290 A HN 0.588 nan 8.150 nan 0.000 0.452 291 G N -0.802 107.972 108.800 -0.044 0.000 2.490 291 G HA2 0.135 4.095 3.960 -0.001 0.000 0.211 291 G HA3 0.135 4.095 3.960 -0.001 0.000 0.211 291 G C 1.243 176.166 174.900 0.038 0.000 1.159 291 G CA 0.478 45.618 45.100 0.068 0.000 0.819 291 G HN 0.265 nan 8.290 nan 0.000 0.539 292 L N 0.754 121.983 121.223 0.009 0.000 2.081 292 L HA -0.088 4.252 4.340 -0.001 0.000 0.212 292 L C 2.369 179.124 176.870 -0.191 0.000 1.080 292 L CA 1.547 56.363 54.840 -0.041 0.000 0.754 292 L CB -0.975 41.111 42.059 0.045 0.000 0.893 292 L HN 0.365 nan 8.230 nan 0.000 0.433 293 H N -3.866 114.958 119.070 -0.409 0.000 2.516 293 H HA 0.034 4.589 4.556 -0.001 0.000 0.284 293 H C 0.216 175.087 175.328 -0.761 0.000 0.999 293 H CA 0.403 56.002 56.048 -0.748 0.000 1.303 293 H CB 0.567 29.511 29.762 -1.364 0.000 1.452 293 H HN 0.289 nan 8.280 nan 0.000 0.530 294 W N 1.407 122.726 121.300 0.031 0.000 1.683 294 W HA 0.238 4.897 4.660 -0.001 0.000 0.295 294 W C -2.528 174.004 176.519 0.022 0.000 0.865 294 W CA -1.660 55.710 57.345 0.042 0.000 2.079 294 W CB 0.604 30.139 29.460 0.124 0.000 2.263 294 W HN 0.118 nan 8.180 nan 0.000 0.427 295 P HA -0.181 nan 4.420 nan 0.000 0.223 295 P C 1.668 178.992 177.300 0.041 0.000 1.151 295 P CA 1.684 64.829 63.100 0.075 0.000 0.787 295 P CB 0.195 31.904 31.700 0.015 0.000 0.788 296 E N 0.075 120.292 120.200 0.030 0.000 2.418 296 E HA -0.145 4.204 4.350 -0.001 0.000 0.197 296 E C 1.778 178.341 176.600 -0.062 0.000 1.026 296 E CA 0.915 57.313 56.400 -0.003 0.000 0.862 296 E CB -0.188 29.518 29.700 0.010 0.000 0.799 296 E HN 0.147 nan 8.360 nan 0.000 0.518 297 R N -0.004 120.407 120.500 -0.148 0.000 2.225 297 R HA 0.222 4.561 4.340 -0.001 0.000 0.194 297 R C -0.201 175.770 176.300 -0.547 0.000 0.949 297 R CA 0.456 56.285 56.100 -0.452 0.000 1.088 297 R CB 0.288 30.105 30.300 -0.806 0.000 1.106 297 R HN 0.049 nan 8.270 nan 0.000 0.566 298 F N -0.084 119.882 119.950 0.026 0.000 2.434 298 F HA 0.456 4.982 4.527 -0.001 0.000 0.367 298 F C 1.038 176.835 175.800 -0.006 0.000 1.093 298 F CA -0.731 57.258 58.000 -0.019 0.000 1.085 298 F CB 2.182 41.122 39.000 -0.101 0.000 1.322 298 F HN 0.136 nan 8.300 nan 0.000 0.452 299 G N 0.630 109.513 108.800 0.138 0.000 2.887 299 G HA2 0.065 4.024 3.960 -0.001 0.000 0.211 299 G HA3 0.065 4.024 3.960 -0.001 0.000 0.211 299 G C -0.205 174.743 174.900 0.080 0.000 1.152 299 G CA 0.222 45.379 45.100 0.095 0.000 0.769 299 G HN 0.557 nan 8.290 nan 0.000 0.541 300 C N 1.096 120.437 119.300 0.068 0.000 2.298 300 C HA 0.675 5.134 4.460 -0.001 0.000 0.323 300 C C -0.090 174.882 174.990 -0.029 0.000 1.284 300 C CA -0.866 58.153 59.018 0.002 0.000 1.577 300 C CB 0.712 28.412 27.740 -0.066 0.000 2.249 300 C HN 0.057 nan 8.230 nan 0.000 0.497 301 V N 5.198 125.098 119.914 -0.023 0.000 2.448 301 V HA 0.496 4.615 4.120 -0.001 0.000 0.295 301 V C -0.483 175.580 176.094 -0.053 0.000 1.025 301 V CA -0.423 61.861 62.300 -0.028 0.000 0.859 301 V CB 1.605 33.444 31.823 0.025 0.000 0.988 301 V HN 0.616 nan 8.190 nan 0.000 0.431 302 L N 5.439 126.608 121.223 -0.089 0.000 2.366 302 L HA 0.597 4.936 4.340 -0.001 0.000 0.266 302 L C -0.063 176.752 176.870 -0.093 0.000 1.010 302 L CA 0.145 54.918 54.840 -0.113 0.000 0.879 302 L CB 1.333 43.277 42.059 -0.190 0.000 1.228 302 L HN 0.632 nan 8.230 nan 0.000 0.439 303 S N 4.683 120.360 115.700 -0.038 0.000 2.438 303 S HA 0.565 5.034 4.470 -0.001 0.000 0.316 303 S C -0.542 174.006 174.600 -0.087 0.000 1.084 303 S CA -0.401 57.781 58.200 -0.031 0.000 1.107 303 S CB 0.604 63.880 63.200 0.126 0.000 0.981 303 S HN 0.708 nan 8.310 nan 0.000 0.466 304 Q N 3.154 122.821 119.800 -0.221 0.000 2.381 304 Q HA 0.416 4.755 4.340 -0.001 0.000 0.263 304 Q C -0.320 175.422 176.000 -0.430 0.000 1.030 304 Q CA -0.544 55.071 55.803 -0.313 0.000 0.772 304 Q CB 1.538 30.002 28.738 -0.458 0.000 1.232 304 Q HN 0.931 nan 8.270 nan 0.000 0.476 305 S N 0.513 116.108 115.700 -0.175 0.000 3.695 305 S HA -0.145 4.324 4.470 -0.001 0.000 0.310 305 S C 0.478 175.010 174.600 -0.114 0.000 1.166 305 S CA 0.181 58.351 58.200 -0.050 0.000 0.882 305 S CB -1.356 61.843 63.200 -0.001 0.000 0.949 305 S HN 0.950 nan 8.310 nan 0.000 0.540 306 G N 0.972 109.642 108.800 -0.216 0.000 2.391 306 G HA2 0.330 4.289 3.960 -0.001 0.000 0.234 306 G HA3 0.330 4.289 3.960 -0.001 0.000 0.234 306 G C 0.196 174.793 174.900 -0.507 0.000 1.284 306 G CA -0.031 44.733 45.100 -0.559 0.000 0.873 306 G HN 0.536 nan 8.290 nan 0.000 0.549 307 S N 1.625 117.052 115.700 -0.455 0.000 3.812 307 S HA 0.143 4.612 4.470 -0.001 0.000 0.195 307 S C 0.088 174.447 174.600 -0.402 0.000 1.460 307 S CA -0.351 57.689 58.200 -0.266 0.000 1.052 307 S CB -0.241 62.826 63.200 -0.221 0.000 1.385 307 S HN 0.549 nan 8.310 nan 0.000 0.490 308 Y N 0.643 120.983 120.300 0.066 0.000 2.519 308 Y HA 0.041 4.591 4.550 -0.001 0.000 0.311 308 Y C 1.684 177.695 175.900 0.185 0.000 1.207 308 Y CA -0.890 57.273 58.100 0.105 0.000 1.289 308 Y CB -0.592 37.967 38.460 0.166 0.000 1.059 308 Y HN 0.760 nan 8.280 nan 0.000 0.507 309 W N -2.374 119.126 121.300 0.333 0.000 2.576 309 W HA -0.011 4.648 4.660 -0.001 0.000 0.270 309 W C 0.343 177.044 176.519 0.303 0.000 1.255 309 W CA -1.039 56.475 57.345 0.282 0.000 1.314 309 W CB -1.118 28.468 29.460 0.208 0.000 1.101 309 W HN 0.141 nan 8.180 nan 0.000 0.595 310 W N 6.668 127.555 121.300 -0.689 0.000 2.391 310 W HA -0.060 4.599 4.660 -0.001 0.000 0.339 310 W C -1.499 174.844 176.519 -0.294 0.000 1.252 310 W CA -0.599 56.291 57.345 -0.759 0.000 1.304 310 W CB 0.623 29.592 29.460 -0.819 0.000 1.179 310 W HN -0.224 nan 8.180 nan 0.000 0.567 311 P HA 0.005 nan 4.420 nan 0.000 0.259 311 P C -0.725 176.435 177.300 -0.234 0.000 1.530 311 P CA 0.350 62.636 63.100 -1.356 0.000 1.022 311 P CB 0.192 30.784 31.700 -1.848 0.000 1.514 312 H N 0.981 120.217 119.070 0.277 0.000 2.787 312 H HA 0.252 4.807 4.556 -0.001 0.000 0.275 312 H C 0.615 176.149 175.328 0.343 0.000 1.183 312 H CA -0.223 55.975 56.048 0.250 0.000 1.290 312 H CB 0.771 30.627 29.762 0.156 0.000 1.438 312 H HN 0.024 nan 8.280 nan 0.000 0.487 313 R N 0.755 121.416 120.500 0.268 0.000 2.543 313 R HA 0.233 4.573 4.340 -0.001 0.000 0.277 313 R C 0.800 177.096 176.300 -0.006 0.000 1.074 313 R CA 0.982 57.069 56.100 -0.022 0.000 1.076 313 R CB 0.494 30.748 30.300 -0.077 0.000 0.993 313 R HN 0.983 nan 8.270 nan 0.000 0.459 314 G N 1.687 110.435 108.800 -0.087 0.000 2.284 314 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.216 314 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.216 314 G C 0.592 175.491 174.900 -0.001 0.000 1.009 314 G CA 0.070 45.147 45.100 -0.038 0.000 0.625 314 G HN 1.258 nan 8.290 nan 0.000 0.501 315 G N 0.384 109.219 108.800 0.059 0.000 2.338 315 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.296 315 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.296 315 G C 1.069 176.018 174.900 0.080 0.000 1.040 315 G CA 1.680 46.853 45.100 0.121 0.000 1.004 315 G HN 1.705 nan 8.290 nan 0.000 0.509 316 Q N -1.358 118.477 119.800 0.059 0.000 2.200 316 Q HA 0.078 4.417 4.340 -0.001 0.000 0.197 316 Q C 0.972 176.957 176.000 -0.024 0.000 0.953 316 Q CA 0.667 56.477 55.803 0.012 0.000 0.851 316 Q CB 0.232 28.964 28.738 -0.010 0.000 0.938 316 Q HN 0.626 nan 8.270 nan 0.000 0.488 317 Q N 2.438 122.187 119.800 -0.085 0.000 2.256 317 Q HA 0.161 4.501 4.340 -0.001 0.000 0.254 317 Q C -1.160 174.874 176.000 0.057 0.000 0.916 317 Q CA -0.411 55.285 55.803 -0.178 0.000 0.932 317 Q CB 1.524 29.764 28.738 -0.830 0.000 1.207 317 Q HN 0.225 nan 8.270 nan 0.000 0.426 318 E N 0.980 121.229 120.200 0.082 0.000 2.534 318 E HA 0.124 4.473 4.350 -0.001 0.000 0.264 318 E C 0.352 177.107 176.600 0.259 0.000 0.981 318 E CA 0.059 56.557 56.400 0.163 0.000 0.948 318 E CB 0.032 29.801 29.700 0.114 0.000 0.934 318 E HN 0.644 nan 8.360 nan 0.000 0.459 319 G N 1.699 110.679 108.800 0.299 0.000 2.257 319 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.235 319 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.235 319 G C 0.881 175.944 174.900 0.273 0.000 1.225 319 G CA -0.219 45.070 45.100 0.315 0.000 0.878 319 G HN 0.509 nan 8.290 nan 0.000 0.505 320 V N 3.548 123.615 119.914 0.255 0.000 2.439 320 V HA -0.172 3.947 4.120 -0.001 0.000 0.253 320 V C 2.565 178.796 176.094 0.229 0.000 1.074 320 V CA 2.010 64.440 62.300 0.218 0.000 1.076 320 V CB -0.373 31.556 31.823 0.177 0.000 0.664 320 V HN 0.718 nan 8.190 nan 0.000 0.461 321 L N -1.219 120.161 121.223 0.262 0.000 2.056 321 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 321 L C 2.344 179.314 176.870 0.166 0.000 1.078 321 L CA 1.998 56.985 54.840 0.245 0.000 0.749 321 L CB -0.339 41.901 42.059 0.301 0.000 0.901 321 L HN 0.319 nan 8.230 nan 0.000 0.433 322 L N 0.095 121.407 121.223 0.148 0.000 2.093 322 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 322 L C 2.540 179.464 176.870 0.089 0.000 1.085 322 L CA 1.402 56.296 54.840 0.090 0.000 0.755 322 L CB -0.686 41.430 42.059 0.094 0.000 0.904 322 L HN 0.245 nan 8.230 nan 0.000 0.435 323 E N -0.314 119.956 120.200 0.116 0.000 2.058 323 E HA -0.303 4.046 4.350 -0.001 0.000 0.194 323 E C 2.170 178.822 176.600 0.086 0.000 0.997 323 E CA 1.505 57.964 56.400 0.098 0.000 0.801 323 E CB 0.020 29.792 29.700 0.120 0.000 0.746 323 E HN 0.333 nan 8.360 nan 0.000 0.450 324 K N 0.306 120.771 120.400 0.108 0.000 2.155 324 K HA -0.036 4.284 4.320 -0.001 0.000 0.203 324 K C 2.151 178.790 176.600 0.065 0.000 1.052 324 K CA 0.330 56.677 56.287 0.099 0.000 0.948 324 K CB 0.087 32.676 32.500 0.149 0.000 0.728 324 K HN 0.054 nan 8.250 nan 0.000 0.448 325 L N 0.556 121.815 121.223 0.061 0.000 2.056 325 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 325 L C 2.233 179.113 176.870 0.017 0.000 1.078 325 L CA 1.340 56.197 54.840 0.029 0.000 0.749 325 L CB -0.220 41.851 42.059 0.020 0.000 0.901 325 L HN 0.118 nan 8.230 nan 0.000 0.433 326 K N -0.164 120.251 120.400 0.025 0.000 2.148 326 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 326 K C 1.807 178.416 176.600 0.015 0.000 1.050 326 K CA 1.130 57.427 56.287 0.016 0.000 0.942 326 K CB -0.054 32.459 32.500 0.021 0.000 0.724 326 K HN 0.254 nan 8.250 nan 0.000 0.446 327 A N 0.517 123.351 122.820 0.023 0.000 2.238 327 A HA 0.158 4.478 4.320 -0.001 0.000 0.208 327 A C 1.159 178.748 177.584 0.009 0.000 1.177 327 A CA 0.622 52.670 52.037 0.020 0.000 0.804 327 A CB -0.415 18.604 19.000 0.032 0.000 0.823 327 A HN 0.373 nan 8.150 nan 0.000 0.482 328 G N 0.007 108.808 108.800 0.003 0.000 2.379 328 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.297 328 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.297 328 G C 0.576 175.465 174.900 -0.019 0.000 1.004 328 G CA 0.810 45.903 45.100 -0.012 0.000 0.921 328 G HN 0.664 nan 8.290 nan 0.000 0.511 329 E N -1.577 118.619 120.200 -0.008 0.000 2.158 329 E HA 0.128 4.477 4.350 -0.001 0.000 0.191 329 E C 1.127 177.687 176.600 -0.066 0.000 0.982 329 E CA 1.185 57.577 56.400 -0.015 0.000 0.823 329 E CB 0.251 29.968 29.700 0.027 0.000 0.766 329 E HN 0.493 nan 8.360 nan 0.000 0.468 330 V N -0.224 119.647 119.914 -0.072 0.000 3.141 330 V HA 0.417 4.536 4.120 -0.001 0.000 0.312 330 V C -0.262 175.773 176.094 -0.098 0.000 1.157 330 V CA -0.848 61.360 62.300 -0.154 0.000 1.041 330 V CB 1.960 33.667 31.823 -0.193 0.000 1.071 330 V HN 0.144 nan 8.190 nan 0.000 0.441 331 S N 0.183 115.812 115.700 -0.118 0.000 2.638 331 S HA 0.780 5.249 4.470 -0.001 0.000 0.274 331 S C -0.320 174.241 174.600 -0.066 0.000 1.157 331 S CA -0.046 58.110 58.200 -0.073 0.000 0.826 331 S CB 1.876 65.038 63.200 -0.063 0.000 1.139 331 S HN 1.753 nan 8.310 nan 0.000 0.474 332 A N 0.938 123.735 122.820 -0.039 0.000 2.988 332 A HA 0.476 4.795 4.320 -0.001 0.000 0.288 332 A C -0.031 177.542 177.584 -0.018 0.000 1.385 332 A CA -0.588 51.437 52.037 -0.021 0.000 1.001 332 A CB -1.072 17.926 19.000 -0.004 0.000 1.071 332 A HN 0.771 nan 8.150 nan 0.000 0.608 333 E N -0.448 119.733 120.200 -0.032 0.000 2.316 333 E HA 0.453 4.802 4.350 -0.001 0.000 0.275 333 E C 1.011 177.604 176.600 -0.011 0.000 1.029 333 E CA 0.198 56.583 56.400 -0.025 0.000 0.871 333 E CB 0.543 30.221 29.700 -0.037 0.000 1.022 333 E HN 0.632 nan 8.360 nan 0.000 0.418 334 G N 2.705 111.506 108.800 0.001 0.000 2.160 334 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.251 334 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.251 334 G C -0.171 174.748 174.900 0.032 0.000 1.008 334 G CA -0.207 44.902 45.100 0.014 0.000 0.724 334 G HN 0.404 nan 8.290 nan 0.000 0.514 335 L N -0.015 121.230 121.223 0.037 0.000 2.307 335 L HA 0.577 4.916 4.340 -0.001 0.000 0.284 335 L C 0.752 177.669 176.870 0.080 0.000 1.023 335 L CA -0.939 53.935 54.840 0.056 0.000 0.810 335 L CB 1.477 43.567 42.059 0.052 0.000 1.231 335 L HN 0.095 nan 8.230 nan 0.000 0.423 336 R N 3.681 124.240 120.500 0.097 0.000 2.255 336 R HA 0.553 4.892 4.340 -0.001 0.000 0.326 336 R C -0.825 175.556 176.300 0.135 0.000 0.986 336 R CA -0.623 55.565 56.100 0.148 0.000 0.847 336 R CB 1.705 32.105 30.300 0.166 0.000 1.111 336 R HN 0.474 nan 8.270 nan 0.000 0.452 337 I N 0.068 120.753 120.570 0.191 0.000 2.608 337 I HA 0.393 4.563 4.170 -0.001 0.000 0.295 337 I C -1.101 175.151 176.117 0.225 0.000 1.049 337 I CA -0.766 60.629 61.300 0.157 0.000 1.063 337 I CB 2.208 40.294 38.000 0.143 0.000 1.248 337 I HN 0.216 nan 8.210 nan 0.000 0.424 338 V N 7.373 127.354 119.914 0.111 0.000 2.370 338 V HA 0.409 4.528 4.120 -0.001 0.000 0.279 338 V C -0.124 176.020 176.094 0.082 0.000 1.029 338 V CA -0.492 61.868 62.300 0.100 0.000 0.870 338 V CB 1.235 33.018 31.823 -0.067 0.000 0.984 338 V HN 0.658 nan 8.190 nan 0.000 0.451 339 L N 5.193 126.484 121.223 0.113 0.000 2.337 339 L HA 0.514 4.853 4.340 -0.001 0.000 0.269 339 L C 0.034 176.815 176.870 -0.148 0.000 1.018 339 L CA -0.125 54.787 54.840 0.120 0.000 0.876 339 L CB 1.282 43.559 42.059 0.364 0.000 1.236 339 L HN 0.797 nan 8.230 nan 0.000 0.436 340 E N 3.960 124.068 120.200 -0.153 0.000 2.133 340 E HA 0.671 5.020 4.350 -0.001 0.000 0.274 340 E C -1.297 175.190 176.600 -0.188 0.000 0.930 340 E CA -0.496 55.746 56.400 -0.264 0.000 0.770 340 E CB 1.791 31.391 29.700 -0.167 0.000 1.104 340 E HN 0.599 nan 8.360 nan 0.000 0.403 341 A N 3.405 126.057 122.820 -0.280 0.000 2.386 341 A HA 0.737 5.056 4.320 -0.001 0.000 0.311 341 A C -0.048 177.506 177.584 -0.049 0.000 1.068 341 A CA -0.287 51.707 52.037 -0.072 0.000 0.743 341 A CB 1.695 20.709 19.000 0.023 0.000 1.258 341 A HN 0.693 nan 8.150 nan 0.000 0.429 342 G N -0.149 108.685 108.800 0.056 0.000 2.477 342 G HA2 0.485 4.444 3.960 -0.001 0.000 0.304 342 G HA3 0.485 4.444 3.960 -0.001 0.000 0.304 342 G C 0.671 175.603 174.900 0.052 0.000 1.175 342 G CA -0.064 45.059 45.100 0.039 0.000 0.907 342 G HN 1.173 nan 8.290 nan 0.000 0.509 343 I N -2.117 118.473 120.570 0.033 0.000 3.228 343 I HA 0.282 4.451 4.170 -0.001 0.000 0.279 343 I C 1.834 177.983 176.117 0.052 0.000 1.221 343 I CA -0.042 61.288 61.300 0.050 0.000 1.458 343 I CB 0.210 38.235 38.000 0.042 0.000 1.105 343 I HN 0.243 nan 8.210 nan 0.000 0.445 344 R N 1.786 122.310 120.500 0.041 0.000 2.541 344 R HA 0.201 4.540 4.340 -0.001 0.000 0.245 344 R C -0.029 176.301 176.300 0.051 0.000 1.154 344 R CA 0.177 56.303 56.100 0.044 0.000 1.179 344 R CB -0.156 30.165 30.300 0.035 0.000 1.189 344 R HN 0.428 nan 8.270 nan 0.000 0.526 345 E N 0.699 120.941 120.200 0.070 0.000 3.352 345 E HA 0.194 4.543 4.350 -0.001 0.000 0.254 345 E C -2.449 174.204 176.600 0.088 0.000 1.229 345 E CA -1.843 54.613 56.400 0.093 0.000 0.949 345 E CB 0.871 30.666 29.700 0.159 0.000 1.373 345 E HN 0.021 nan 8.360 nan 0.000 0.392 351 A N 2.307 125.287 122.820 0.267 0.000 1.917 351 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 351 A C 1.809 179.605 177.584 0.353 0.000 1.182 351 A CA 1.917 54.149 52.037 0.325 0.000 0.633 351 A CB -0.676 18.579 19.000 0.425 0.000 0.819 351 A HN 0.373 nan 8.150 nan 0.000 0.448 352 N N -0.219 118.729 118.700 0.413 0.000 2.106 352 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 352 N C 1.979 177.726 175.510 0.395 0.000 1.029 352 N CA 1.642 54.985 53.050 0.488 0.000 0.848 352 N CB -0.248 38.576 38.487 0.560 0.000 1.007 352 N HN 0.854 nan 8.380 nan 0.000 0.423 353 Q N 0.218 120.214 119.800 0.328 0.000 2.435 353 Q HA 0.155 4.495 4.340 -0.001 0.000 0.207 353 Q C 1.719 177.746 176.000 0.045 0.000 0.956 353 Q CA 0.741 56.591 55.803 0.077 0.000 0.917 353 Q CB 0.047 28.850 28.738 0.109 0.000 0.997 353 Q HN 0.190 nan 8.270 nan 0.000 0.497 354 A N 1.582 124.462 122.820 0.100 0.000 1.898 354 A HA -0.066 4.253 4.320 -0.001 0.000 0.214 354 A C 2.056 179.656 177.584 0.026 0.000 1.183 354 A CA 0.849 52.921 52.037 0.059 0.000 0.622 354 A CB -0.476 18.578 19.000 0.090 0.000 0.824 354 A HN 0.351 nan 8.150 nan 0.000 0.444 355 L N -1.171 120.075 121.223 0.039 0.000 1.970 355 L HA -0.188 4.151 4.340 -0.001 0.000 0.212 355 L C 2.291 179.158 176.870 -0.005 0.000 1.071 355 L CA 2.595 57.411 54.840 -0.039 0.000 0.751 355 L CB -1.075 40.873 42.059 -0.185 0.000 0.889 355 L HN 0.539 nan 8.230 nan 0.000 0.432 356 Y N 0.155 120.380 120.300 -0.125 0.000 2.030 356 Y HA -0.426 4.123 4.550 -0.001 0.000 0.272 356 Y C 2.385 178.185 175.900 -0.167 0.000 1.185 356 Y CA 2.333 60.310 58.100 -0.204 0.000 1.120 356 Y CB -0.364 37.742 38.460 -0.590 0.000 0.955 356 Y HN 0.351 nan 8.280 nan 0.000 0.495 357 A N -0.439 122.234 122.820 -0.245 0.000 2.019 357 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 357 A C 2.004 179.495 177.584 -0.155 0.000 1.164 357 A CA 1.721 53.602 52.037 -0.260 0.000 0.644 357 A CB -0.745 18.164 19.000 -0.152 0.000 0.805 357 A HN 0.622 nan 8.150 nan 0.000 0.449 358 Q N -0.126 119.614 119.800 -0.099 0.000 2.297 358 Q HA 0.078 4.417 4.340 -0.001 0.000 0.204 358 Q C 1.081 177.046 176.000 -0.057 0.000 0.962 358 Q CA 1.095 56.863 55.803 -0.059 0.000 0.879 358 Q CB -0.450 28.266 28.738 -0.035 0.000 0.947 358 Q HN 0.609 nan 8.270 nan 0.000 0.462 359 L N 0.509 121.674 121.223 -0.096 0.000 2.805 359 L HA 0.146 4.485 4.340 -0.001 0.000 0.237 359 L C 1.141 177.921 176.870 -0.150 0.000 1.252 359 L CA 0.004 54.790 54.840 -0.089 0.000 1.064 359 L CB -0.391 41.642 42.059 -0.043 0.000 1.361 359 L HN 0.332 nan 8.230 nan 0.000 0.474 360 H N 1.272 120.204 119.070 -0.230 0.000 2.421 360 H HA -0.090 4.465 4.556 -0.001 0.000 0.298 360 H C -0.739 174.491 175.328 -0.164 0.000 1.087 360 H CA 1.503 57.398 56.048 -0.255 0.000 1.330 360 H CB -0.392 29.244 29.762 -0.208 0.000 1.388 360 H HN 0.155 nan 8.280 nan 0.000 0.526 361 P HA -0.111 nan 4.420 nan 0.000 0.218 361 P C 1.254 178.425 177.300 -0.215 0.000 1.149 361 P CA 1.472 64.439 63.100 -0.223 0.000 0.817 361 P CB -0.084 31.575 31.700 -0.069 0.000 0.785 362 I N -4.037 116.439 120.570 -0.158 0.000 3.884 362 I HA 0.223 4.393 4.170 -0.001 0.000 0.330 362 I C 0.803 176.867 176.117 -0.088 0.000 1.451 362 I CA 0.211 61.454 61.300 -0.095 0.000 1.165 362 I CB -0.467 37.510 38.000 -0.037 0.000 1.097 362 I HN -0.161 nan 8.210 nan 0.000 0.404 363 K N 1.402 121.698 120.400 -0.174 0.000 2.360 363 K HA -0.216 4.103 4.320 -0.001 0.000 0.201 363 K C 1.583 178.158 176.600 -0.042 0.000 1.046 363 K CA 1.490 57.703 56.287 -0.123 0.000 0.940 363 K CB 0.136 32.488 32.500 -0.246 0.000 0.748 363 K HN 0.428 nan 8.250 nan 0.000 0.465 364 E N 0.780 120.939 120.200 -0.070 0.000 2.047 364 E HA -0.106 4.243 4.350 -0.001 0.000 0.191 364 E C 1.327 177.895 176.600 -0.054 0.000 0.987 364 E CA 1.527 57.892 56.400 -0.059 0.000 0.799 364 E CB 0.154 29.820 29.700 -0.057 0.000 0.752 364 E HN 0.208 nan 8.360 nan 0.000 0.449 365 S N -0.506 115.190 115.700 -0.008 0.000 2.614 365 S HA 0.266 4.735 4.470 -0.001 0.000 0.230 365 S C 0.432 175.099 174.600 0.111 0.000 0.952 365 S CA -0.432 57.793 58.200 0.041 0.000 0.949 365 S CB -0.169 63.072 63.200 0.068 0.000 0.786 365 S HN 0.130 nan 8.310 nan 0.000 0.478 366 I N 2.056 122.679 120.570 0.089 0.000 2.330 366 I HA 0.359 4.528 4.170 -0.001 0.000 0.289 366 I C -0.921 175.287 176.117 0.151 0.000 1.001 366 I CA -0.926 60.502 61.300 0.213 0.000 1.193 366 I CB 1.102 39.292 38.000 0.317 0.000 1.345 366 I HN 0.115 nan 8.210 nan 0.000 0.461 367 F N 6.236 126.261 119.950 0.124 0.000 2.567 367 F HA 0.098 4.625 4.527 -0.001 0.000 0.352 367 F C 0.438 176.286 175.800 0.080 0.000 1.229 367 F CA -0.328 57.725 58.000 0.088 0.000 1.228 367 F CB 0.003 39.022 39.000 0.033 0.000 1.568 367 F HN 0.513 nan 8.300 nan 0.000 0.634 368 W N 6.205 127.486 121.300 -0.031 0.000 2.303 368 W HA 0.338 4.998 4.660 -0.001 0.000 0.318 368 W C -0.684 175.776 176.519 -0.099 0.000 1.362 368 W CA -0.606 56.614 57.345 -0.209 0.000 1.234 368 W CB 0.577 29.654 29.460 -0.638 0.000 1.248 368 W HN 0.351 nan 8.180 nan 0.000 0.546 369 R N 5.508 125.490 120.500 -0.863 0.000 2.500 369 R HA 0.147 4.486 4.340 -0.001 0.000 0.299 369 R C -0.828 174.941 176.300 -0.885 0.000 1.038 369 R CA -0.809 54.892 56.100 -0.666 0.000 0.903 369 R CB 2.284 32.407 30.300 -0.295 0.000 1.177 369 R HN 0.536 nan 8.270 nan 0.000 0.455 370 Q N 2.801 122.194 119.800 -0.678 0.000 2.303 370 Q HA 0.368 4.707 4.340 -0.001 0.000 0.257 370 Q C -0.053 175.837 176.000 -0.184 0.000 0.941 370 Q CA -0.569 55.008 55.803 -0.377 0.000 0.931 370 Q CB 1.627 30.291 28.738 -0.122 0.000 1.215 370 Q HN 0.555 nan 8.270 nan 0.000 0.437 371 V N 0.176 120.007 119.914 -0.139 0.000 3.284 371 V HA 0.433 4.552 4.120 -0.001 0.000 0.309 371 V C 0.282 176.341 176.094 -0.058 0.000 1.190 371 V CA -0.523 61.721 62.300 -0.092 0.000 1.038 371 V CB 1.762 33.531 31.823 -0.089 0.000 1.198 371 V HN 0.723 nan 8.190 nan 0.000 0.465 372 D N -0.025 120.335 120.400 -0.067 0.000 2.305 372 D HA 0.212 4.851 4.640 -0.001 0.000 0.206 372 D C 0.942 177.187 176.300 -0.093 0.000 0.974 372 D CA 1.232 55.193 54.000 -0.065 0.000 0.871 372 D CB 0.243 40.996 40.800 -0.077 0.000 0.947 372 D HN 0.876 nan 8.370 nan 0.000 0.516 373 G N -1.061 107.664 108.800 -0.125 0.000 2.531 373 G HA2 0.526 4.485 3.960 -0.001 0.000 0.281 373 G HA3 0.526 4.485 3.960 -0.001 0.000 0.281 373 G C 0.369 175.205 174.900 -0.107 0.000 1.382 373 G CA -0.003 44.990 45.100 -0.179 0.000 1.045 373 G HN 0.242 nan 8.290 nan 0.000 0.533 374 G N -2.414 106.298 108.800 -0.147 0.000 3.119 374 G HA2 0.394 4.353 3.960 -0.001 0.000 0.206 374 G HA3 0.394 4.353 3.960 -0.001 0.000 0.206 374 G C -0.817 174.024 174.900 -0.099 0.000 1.313 374 G CA -0.590 44.474 45.100 -0.061 0.000 1.010 374 G HN 0.652 nan 8.290 nan 0.000 0.578 375 H N 0.580 119.577 119.070 -0.121 0.000 3.195 375 H HA 0.416 4.972 4.556 -0.001 0.000 0.241 375 H C -1.097 173.909 175.328 -0.536 0.000 1.823 375 H CA 0.117 56.099 56.048 -0.109 0.000 1.466 375 H CB -0.281 29.506 29.762 0.041 0.000 1.819 375 H HN 0.220 nan 8.280 nan 0.000 0.575 376 D N 2.007 121.657 120.400 -1.249 0.000 2.890 376 D HA 0.193 4.833 4.640 -0.001 0.000 0.233 376 D C 0.798 176.201 176.300 -1.496 0.000 1.306 376 D CA -0.032 53.320 54.000 -1.081 0.000 0.929 376 D CB 1.187 41.659 40.800 -0.548 0.000 1.512 376 D HN 0.439 nan 8.370 nan 0.000 0.568 377 A N 3.345 125.468 122.820 -1.162 0.000 1.948 377 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 377 A C 1.960 179.319 177.584 -0.376 0.000 1.177 377 A CA 1.291 52.968 52.037 -0.600 0.000 0.636 377 A CB -0.375 18.389 19.000 -0.395 0.000 0.815 377 A HN 0.567 nan 8.150 nan 0.000 0.449 378 L N -0.951 120.041 121.223 -0.384 0.000 2.353 378 L HA -0.127 4.213 4.340 -0.001 0.000 0.220 378 L C 2.054 178.691 176.870 -0.388 0.000 1.133 378 L CA 1.896 56.500 54.840 -0.393 0.000 0.798 378 L CB -0.356 41.563 42.059 -0.234 0.000 0.922 378 L HN 0.478 nan 8.230 nan 0.000 0.445 379 C N -2.453 116.600 119.300 -0.410 0.000 2.558 379 C HA 0.035 4.494 4.460 -0.001 0.000 0.288 379 C C 2.233 177.139 174.990 -0.141 0.000 1.338 379 C CA -0.640 58.186 59.018 -0.321 0.000 1.760 379 C CB -1.006 26.517 27.740 -0.362 0.000 2.159 379 C HN 0.699 nan 8.230 nan 0.000 0.518 380 W N 2.674 123.887 121.300 -0.146 0.000 2.374 380 W HA -0.104 4.556 4.660 -0.001 0.000 0.288 380 W C 2.616 179.081 176.519 -0.090 0.000 1.218 380 W CA 1.332 58.623 57.345 -0.089 0.000 1.245 380 W CB -1.051 28.404 29.460 -0.008 0.000 1.126 380 W HN 0.512 nan 8.180 nan 0.000 0.545 381 R N 0.190 120.749 120.500 0.098 0.000 2.152 381 R HA -0.035 4.304 4.340 -0.001 0.000 0.232 381 R C 2.199 178.445 176.300 -0.091 0.000 1.117 381 R CA 1.836 57.877 56.100 -0.097 0.000 0.981 381 R CB -1.318 28.602 30.300 -0.633 0.000 0.870 381 R HN 0.059 nan 8.270 nan 0.000 0.451 382 G N -0.400 108.331 108.800 -0.115 0.000 2.712 382 G HA2 0.007 3.966 3.960 -0.001 0.000 0.212 382 G HA3 0.007 3.966 3.960 -0.001 0.000 0.212 382 G C 1.219 176.120 174.900 0.001 0.000 1.142 382 G CA 0.294 45.390 45.100 -0.006 0.000 0.789 382 G HN 0.475 nan 8.290 nan 0.000 0.535 383 G N 0.058 108.847 108.800 -0.018 0.000 2.608 383 G HA2 0.263 4.223 3.960 -0.001 0.000 0.210 383 G HA3 0.263 4.223 3.960 -0.001 0.000 0.210 383 G C 0.808 175.655 174.900 -0.089 0.000 1.139 383 G CA 0.017 45.091 45.100 -0.044 0.000 0.812 383 G HN 0.356 nan 8.290 nan 0.000 0.529 387 G N 1.474 110.185 108.800 -0.148 0.000 2.394 387 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.215 387 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.215 387 G C 1.180 175.907 174.900 -0.289 0.000 1.165 387 G CA 0.913 45.877 45.100 -0.227 0.000 0.784 387 G HN 0.268 nan 8.290 nan 0.000 0.535 388 L N -0.054 121.017 121.223 -0.254 0.000 2.079 388 L HA -0.085 4.254 4.340 -0.001 0.000 0.210 388 L C 2.827 179.626 176.870 -0.119 0.000 1.081 388 L CA 0.857 55.511 54.840 -0.310 0.000 0.752 388 L CB -0.376 41.595 42.059 -0.147 0.000 0.896 388 L HN 0.216 nan 8.230 nan 0.000 0.433 389 I N -0.242 120.308 120.570 -0.034 0.000 2.202 389 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 389 I C 2.113 178.220 176.117 -0.017 0.000 1.091 389 I CA 1.217 62.546 61.300 0.049 0.000 1.368 389 I CB -0.284 37.727 38.000 0.018 0.000 1.058 389 I HN 0.224 nan 8.210 nan 0.000 0.410 390 D N 0.854 121.140 120.400 -0.192 0.000 2.092 390 D HA -0.171 4.468 4.640 -0.001 0.000 0.193 390 D C 2.294 178.297 176.300 -0.495 0.000 0.994 390 D CA 1.378 55.117 54.000 -0.435 0.000 0.828 390 D CB -0.459 39.798 40.800 -0.904 0.000 0.963 390 D HN 0.252 nan 8.370 nan 0.000 0.450 391 L N -0.806 120.132 121.223 -0.476 0.000 2.046 391 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 391 L C 1.808 178.663 176.870 -0.026 0.000 1.077 391 L CA 0.745 55.383 54.840 -0.336 0.000 0.747 391 L CB -0.209 41.586 42.059 -0.440 0.000 0.896 391 L HN 0.169 nan 8.230 nan 0.000 0.432 392 W N -0.136 121.158 121.300 -0.011 0.000 3.353 392 W HA 0.095 4.754 4.660 -0.001 0.000 0.304 392 W C 2.122 178.752 176.519 0.184 0.000 1.273 392 W CA -0.199 57.192 57.345 0.077 0.000 1.773 392 W CB -0.356 29.166 29.460 0.102 0.000 1.095 392 W HN 0.243 nan 8.180 nan 0.000 0.676 393 Q N 0.789 120.801 119.800 0.353 0.000 2.369 393 Q HA -0.063 4.276 4.340 -0.001 0.000 0.206 393 Q C -0.777 175.431 176.000 0.347 0.000 0.963 393 Q CA 1.238 57.254 55.803 0.354 0.000 0.894 393 Q CB -0.692 28.180 28.738 0.225 0.000 0.965 393 Q HN 0.004 nan 8.270 nan 0.000 0.475 394 P HA -0.038 nan 4.420 nan 0.000 0.236 394 P C 0.310 177.730 177.300 0.200 0.000 1.177 394 P CA 0.654 63.897 63.100 0.239 0.000 0.773 394 P CB 0.184 32.004 31.700 0.199 0.000 0.878 395 L N -2.243 119.058 121.223 0.130 0.000 2.551 395 L HA 0.015 4.354 4.340 -0.001 0.000 0.228 395 L C 0.612 177.229 176.870 -0.421 0.000 1.153 395 L CA 1.322 56.060 54.840 -0.169 0.000 0.851 395 L CB -0.677 41.156 42.059 -0.377 0.000 0.959 395 L HN 0.038 nan 8.230 nan 0.000 0.451 396 F N -1.293 118.670 119.950 0.023 0.000 2.908 396 F HA 0.161 4.687 4.527 -0.001 0.000 0.328 396 F C 1.244 177.015 175.800 -0.048 0.000 1.211 396 F CA -1.120 56.853 58.000 -0.044 0.000 1.291 396 F CB -0.401 38.596 39.000 -0.004 0.000 0.962 396 F HN 0.145 nan 8.300 nan 0.000 0.505 397 H N 0.000 119.140 119.070 0.116 0.000 2.539 397 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 397 H CA 0.000 56.104 56.048 0.094 0.000 1.023 397 H CB 0.000 29.796 29.762 0.057 0.000 1.292 397 H HN 0.000 nan 8.280 nan 0.000 0.496