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 1d8c_1_A DATA FIRST_RESID 3 DATA SEQUENCE QTITQSRLRI DANFKRFVDE EVLPGTGLDA AAFWRNFDEI VHDLAPENRQ DATA SEQUENCE LLAERDRIQA ALDEWHRSNP GPVKDKAAYK SFLRELGYLV PQPERVTVET DATA SEQUENCE TGIDSEITSQ AGPQLVVPAX NARYALNAAN ARWGSLYDAL YGSDIIPQEG DATA SEQUENCE AXVSGYDPQR GEQVIAWVRR FLDESLPLEN GSYQDVVAFK VVDKQLRIQL DATA SEQUENCE KNGKETTLRT PAQFVGYRGD AAAPTCILLK NNGLHIELQI DANGRIGKDD DATA SEQUENCE PAHINDVIVE AAISTILDCE DSVAAVDAED KILLYRNLLG LXQGTLQXXX DATA SEQUENCE XXXXXXXXRK LNDDRHYTAA DGSEISLHGR SLLFIRNVGH LXTIPVIWDS DATA SEQUENCE EGNEIPEGIL DGVXTGAIAL YDLKVQKNSR TGSVYIVKPK XHGPQEVAFA DATA SEQUENCE NKLFTRIETX LGXAPNTLKX GIXDEERRTS LNLRSCIAQA RNRVAFINTG DATA SEQUENCE FLDRTGDEXH SVXEAGPXLR KNQXKSTPWI KAYERNNVLS GLFCGLRGKA DATA SEQUENCE QIGKGXWAXP DLXADXYSQK GDQLRAGANT AWVPSPTAAT LHALHYHQTN DATA SEQUENCE VQSVQANIAQ TEFNAEFEPL LDDLLTIPVA ENANWSAQEI QQELDNNVQG DATA SEQUENCE ILGYVVRWVE QGIGCSKVPD IHNVALXEDR ATLRISSQHI ANWLRHGILT DATA SEQUENCE KEQVQASLEN XAKVVDQQNA GDPAYRPXAG NFANSCAFKA ASDLIFLGVK DATA SEQUENCE QPNGYTEPLL HAWRLREKES VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.014 176.000 0.023 0.000 1.003 3 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 3 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 4 T N -0.206 114.340 114.554 -0.014 0.000 2.940 4 T HA 0.914 5.170 4.350 -0.157 0.000 0.288 4 T C 0.144 174.838 174.700 -0.009 0.000 1.033 4 T CA -0.769 61.331 62.100 -0.000 0.000 1.033 4 T CB 1.239 70.065 68.868 -0.070 0.000 1.079 4 T HN 0.811 nan 8.240 nan 0.000 0.496 5 I N 1.971 122.541 120.570 -0.000 0.000 2.545 5 I HA 0.373 4.448 4.170 -0.157 0.000 0.292 5 I C 0.217 176.295 176.117 -0.065 0.000 1.040 5 I CA -0.861 60.416 61.300 -0.039 0.000 1.068 5 I CB 2.471 40.439 38.000 -0.052 0.000 1.251 5 I HN 0.906 nan 8.210 nan 0.000 0.424 6 T N 2.817 117.330 114.554 -0.068 0.000 2.767 6 T HA 0.564 4.819 4.350 -0.157 0.000 0.284 6 T C -0.639 174.001 174.700 -0.099 0.000 0.973 6 T CA -0.580 61.479 62.100 -0.069 0.000 0.996 6 T CB 1.736 70.579 68.868 -0.041 0.000 0.927 6 T HN 0.585 nan 8.240 nan 0.000 0.456 7 Q N 3.217 122.945 119.800 -0.120 0.000 2.347 7 Q HA 0.632 4.877 4.340 -0.157 0.000 0.271 7 Q C 0.561 176.550 176.000 -0.019 0.000 1.064 7 Q CA 0.474 56.209 55.803 -0.115 0.000 0.800 7 Q CB 1.378 29.932 28.738 -0.307 0.000 1.304 7 Q HN 1.372 nan 8.270 nan 0.000 0.438 8 S N 2.543 118.260 115.700 0.028 0.000 3.927 8 S HA -0.350 4.025 4.470 -0.157 0.000 0.618 8 S C 0.709 175.326 174.600 0.028 0.000 2.201 8 S CA 1.908 60.137 58.200 0.048 0.000 4.160 8 S CB -1.120 62.133 63.200 0.090 0.000 0.266 8 S HN 0.783 nan 8.310 nan 0.000 0.760 9 R N 0.537 121.059 120.500 0.036 0.000 2.480 9 R HA 0.503 4.749 4.340 -0.157 0.000 0.277 9 R C -0.305 176.021 176.300 0.042 0.000 1.008 9 R CA -0.024 56.096 56.100 0.034 0.000 1.090 9 R CB -0.323 29.999 30.300 0.037 0.000 1.234 9 R HN 0.511 nan 8.270 nan 0.000 0.549 10 L N -0.082 121.158 121.223 0.028 0.000 2.334 10 L HA 0.649 4.894 4.340 -0.157 0.000 0.270 10 L C 0.473 177.358 176.870 0.024 0.000 1.018 10 L CA -1.059 53.798 54.840 0.029 0.000 0.811 10 L CB 1.238 43.291 42.059 -0.010 0.000 1.271 10 L HN 0.027 nan 8.230 nan 0.000 0.443 11 R N 2.282 122.841 120.500 0.098 0.000 2.409 11 R HA 0.779 5.025 4.340 -0.157 0.000 0.313 11 R C -1.082 175.360 176.300 0.236 0.000 0.953 11 R CA -0.332 55.835 56.100 0.113 0.000 0.849 11 R CB 0.590 30.928 30.300 0.064 0.000 1.171 11 R HN 0.640 nan 8.270 nan 0.000 0.458 12 I N 1.941 122.578 120.570 0.111 0.000 2.441 12 I HA 0.264 4.340 4.170 -0.157 0.000 0.295 12 I C 0.127 176.372 176.117 0.212 0.000 0.994 12 I CA -1.022 60.354 61.300 0.128 0.000 1.144 12 I CB 2.213 40.164 38.000 -0.081 0.000 1.314 12 I HN 0.725 nan 8.210 nan 0.000 0.445 13 D N 4.556 125.136 120.400 0.300 0.000 2.493 13 D HA -0.007 4.539 4.640 -0.157 0.000 0.240 13 D C 0.955 177.412 176.300 0.262 0.000 1.142 13 D CA 0.263 54.443 54.000 0.299 0.000 0.872 13 D CB 1.559 42.535 40.800 0.293 0.000 1.173 13 D HN 0.733 nan 8.370 nan 0.000 0.467 14 A N 5.238 128.164 122.820 0.176 0.000 1.865 14 A HA -0.255 3.971 4.320 -0.157 0.000 0.217 14 A C 1.944 179.629 177.584 0.168 0.000 1.191 14 A CA 1.311 53.428 52.037 0.134 0.000 0.623 14 A CB -0.400 18.649 19.000 0.082 0.000 0.826 14 A HN 0.724 nan 8.150 nan 0.000 0.444 15 N N -1.150 117.659 118.700 0.182 0.000 2.166 15 N HA -0.140 4.506 4.740 -0.157 0.000 0.186 15 N C 1.400 177.066 175.510 0.260 0.000 1.019 15 N CA 1.385 54.546 53.050 0.185 0.000 0.856 15 N CB -0.593 37.990 38.487 0.161 0.000 0.993 15 N HN 0.520 nan 8.380 nan 0.000 0.426 16 F N 2.004 122.072 119.950 0.198 0.000 2.102 16 F HA -0.125 4.307 4.527 -0.158 0.000 0.298 16 F C 2.319 178.347 175.800 0.379 0.000 1.105 16 F CA 1.437 59.616 58.000 0.299 0.000 1.239 16 F CB -0.143 39.020 39.000 0.271 0.000 0.991 16 F HN -0.090 nan 8.300 nan 0.000 0.474 17 K N -0.017 120.581 120.400 0.331 0.000 2.063 17 K HA -0.252 3.973 4.320 -0.157 0.000 0.208 17 K C 2.537 179.242 176.600 0.175 0.000 1.048 17 K CA 1.834 58.263 56.287 0.236 0.000 0.928 17 K CB -0.196 32.328 32.500 0.040 0.000 0.713 17 K HN 0.270 nan 8.250 nan 0.000 0.442 18 R N 0.624 121.202 120.500 0.130 0.000 2.073 18 R HA -0.168 4.078 4.340 -0.157 0.000 0.234 18 R C 1.982 178.310 176.300 0.047 0.000 1.134 18 R CA 1.877 58.031 56.100 0.091 0.000 0.952 18 R CB -1.820 28.536 30.300 0.094 0.000 0.850 18 R HN 0.411 nan 8.270 nan 0.000 0.433 19 F N 1.441 121.355 119.950 -0.061 0.000 2.043 19 F HA -0.251 4.182 4.527 -0.158 0.000 0.297 19 F C 2.218 177.928 175.800 -0.149 0.000 1.118 19 F CA 2.117 60.046 58.000 -0.118 0.000 1.202 19 F CB -0.699 38.191 39.000 -0.183 0.000 0.965 19 F HN 0.012 nan 8.300 nan 0.000 0.482 20 V N 1.305 120.999 119.914 -0.367 0.000 2.214 20 V HA -0.358 3.668 4.120 -0.157 0.000 0.245 20 V C 2.281 178.170 176.094 -0.342 0.000 1.047 20 V CA 2.435 64.468 62.300 -0.445 0.000 0.998 20 V CB -0.924 30.857 31.823 -0.071 0.000 0.633 20 V HN 0.362 nan 8.190 nan 0.000 0.446 21 D N -0.234 120.131 120.400 -0.058 0.000 2.178 21 D HA -0.168 4.378 4.640 -0.157 0.000 0.201 21 D C 2.001 178.243 176.300 -0.095 0.000 0.980 21 D CA 1.429 55.415 54.000 -0.023 0.000 0.842 21 D CB -0.152 40.743 40.800 0.159 0.000 0.948 21 D HN 0.648 nan 8.370 nan 0.000 0.472 22 E N 0.092 120.222 120.200 -0.118 0.000 2.364 22 E HA 0.011 4.267 4.350 -0.157 0.000 0.196 22 E C 1.324 177.822 176.600 -0.171 0.000 0.990 22 E CA 0.334 56.672 56.400 -0.103 0.000 0.886 22 E CB 0.246 29.921 29.700 -0.042 0.000 0.866 22 E HN 0.338 nan 8.360 nan 0.000 0.493 23 E N 0.133 120.135 120.200 -0.330 0.000 2.399 23 E HA 0.034 4.289 4.350 -0.157 0.000 0.205 23 E C 1.829 178.179 176.600 -0.417 0.000 0.906 23 E CA 0.099 56.298 56.400 -0.335 0.000 0.998 23 E CB 0.745 30.282 29.700 -0.271 0.000 1.002 23 E HN -0.059 nan 8.360 nan 0.000 0.501 24 V N 1.275 120.839 119.914 -0.582 0.000 2.374 24 V HA -0.091 3.934 4.120 -0.157 0.000 0.241 24 V C 2.156 178.106 176.094 -0.240 0.000 1.034 24 V CA 1.047 63.061 62.300 -0.478 0.000 1.037 24 V CB -0.296 31.134 31.823 -0.655 0.000 0.682 24 V HN 0.206 nan 8.190 nan 0.000 0.463 25 L N 0.179 121.209 121.223 -0.322 0.000 2.201 25 L HA -0.043 4.202 4.340 -0.157 0.000 0.212 25 L C -0.180 176.601 176.870 -0.147 0.000 1.105 25 L CA 1.047 55.718 54.840 -0.283 0.000 0.775 25 L CB -1.739 40.094 42.059 -0.377 0.000 0.913 25 L HN 0.353 nan 8.230 nan 0.000 0.440 26 P HA -0.177 nan 4.420 nan 0.000 0.215 26 P C 1.672 178.951 177.300 -0.035 0.000 1.157 26 P CA 1.958 65.027 63.100 -0.051 0.000 0.874 26 P CB -0.194 31.483 31.700 -0.039 0.000 0.790 27 G N -0.380 108.456 108.800 0.060 0.000 2.421 27 G HA2 -0.288 3.578 3.960 -0.157 0.000 0.216 27 G HA3 -0.288 3.578 3.960 -0.157 0.000 0.216 27 G C 1.610 176.324 174.900 -0.310 0.000 1.171 27 G CA 2.200 47.245 45.100 -0.091 0.000 0.775 27 G HN 0.380 nan 8.290 nan 0.000 0.543 28 T N -0.870 113.457 114.554 -0.378 0.000 2.684 28 T HA -0.009 4.247 4.350 -0.157 0.000 0.267 28 T C 2.145 176.712 174.700 -0.221 0.000 1.032 28 T CA 1.809 63.703 62.100 -0.345 0.000 1.155 28 T CB -0.993 67.706 68.868 -0.282 0.000 0.857 28 T HN 1.720 nan 8.240 nan 0.000 0.457 29 G N 1.024 109.729 108.800 -0.160 0.000 2.176 29 G HA2 -0.187 3.679 3.960 -0.157 0.000 0.252 29 G HA3 -0.187 3.679 3.960 -0.157 0.000 0.252 29 G C -0.154 174.689 174.900 -0.094 0.000 1.024 29 G CA 0.314 45.346 45.100 -0.113 0.000 0.755 29 G HN 0.760 nan 8.290 nan 0.000 0.507 30 L N 0.056 121.217 121.223 -0.104 0.000 2.325 30 L HA 0.485 4.731 4.340 -0.157 0.000 0.278 30 L C 0.331 177.173 176.870 -0.046 0.000 1.023 30 L CA -0.940 53.856 54.840 -0.073 0.000 0.811 30 L CB 1.543 43.538 42.059 -0.107 0.000 1.249 30 L HN 0.270 nan 8.230 nan 0.000 0.431 31 D N 1.523 121.923 120.400 0.000 0.000 2.350 31 D HA 0.263 4.809 4.640 -0.157 0.000 0.249 31 D C 0.813 177.158 176.300 0.076 0.000 1.119 31 D CA 0.233 54.251 54.000 0.031 0.000 0.886 31 D CB 1.818 42.645 40.800 0.044 0.000 1.195 31 D HN 0.586 nan 8.370 nan 0.000 0.437 32 A N 3.871 126.750 122.820 0.097 0.000 1.858 32 A HA -0.053 4.173 4.320 -0.157 0.000 0.216 32 A C 2.153 179.970 177.584 0.388 0.000 1.190 32 A CA 1.860 54.015 52.037 0.197 0.000 0.617 32 A CB -1.192 17.964 19.000 0.260 0.000 0.827 32 A HN 0.711 nan 8.150 nan 0.000 0.443 33 A N -0.197 122.818 122.820 0.324 0.000 1.877 33 A HA 0.133 4.359 4.320 -0.157 0.000 0.216 33 A C 2.508 180.250 177.584 0.263 0.000 1.186 33 A CA 2.259 54.490 52.037 0.324 0.000 0.620 33 A CB -1.068 18.047 19.000 0.191 0.000 0.822 33 A HN 1.132 nan 8.150 nan 0.000 0.443 34 A N -1.339 121.587 122.820 0.177 0.000 1.972 34 A HA -0.021 4.205 4.320 -0.157 0.000 0.219 34 A C 2.027 179.682 177.584 0.119 0.000 1.169 34 A CA 1.525 53.636 52.037 0.123 0.000 0.635 34 A CB -0.681 18.367 19.000 0.080 0.000 0.810 34 A HN 0.751 nan 8.150 nan 0.000 0.446 35 F N -0.861 119.066 119.950 -0.038 0.000 2.113 35 F HA -0.155 4.277 4.527 -0.158 0.000 0.297 35 F C 1.932 177.670 175.800 -0.102 0.000 1.103 35 F CA 1.708 59.599 58.000 -0.181 0.000 1.248 35 F CB -0.426 38.347 39.000 -0.378 0.000 0.999 35 F HN 0.366 nan 8.300 nan 0.000 0.475 36 W N 0.333 121.737 121.300 0.175 0.000 2.402 36 W HA -0.067 4.498 4.660 -0.157 0.000 0.286 36 W C 2.802 179.343 176.519 0.036 0.000 1.221 36 W CA 1.718 59.128 57.345 0.109 0.000 1.257 36 W CB -0.881 28.695 29.460 0.194 0.000 1.120 36 W HN -0.038 nan 8.180 nan 0.000 0.551 37 R N 0.871 121.511 120.500 0.233 0.000 2.062 37 R HA -0.165 4.081 4.340 -0.157 0.000 0.231 37 R C 1.557 177.903 176.300 0.077 0.000 1.136 37 R CA 1.989 58.172 56.100 0.138 0.000 0.948 37 R CB -1.861 28.499 30.300 0.100 0.000 0.845 37 R HN 0.423 nan 8.270 nan 0.000 0.430 38 N N -0.638 118.068 118.700 0.009 0.000 2.205 38 N HA -0.096 4.550 4.740 -0.157 0.000 0.186 38 N C 1.572 177.079 175.510 -0.006 0.000 1.015 38 N CA 1.400 54.430 53.050 -0.033 0.000 0.862 38 N CB -0.181 38.242 38.487 -0.107 0.000 0.986 38 N HN 0.396 nan 8.380 nan 0.000 0.429 39 F N 2.064 121.849 119.950 -0.275 0.000 2.134 39 F HA -0.165 4.268 4.527 -0.157 0.000 0.299 39 F C 2.179 177.955 175.800 -0.040 0.000 1.097 39 F CA 1.193 59.041 58.000 -0.252 0.000 1.264 39 F CB -0.799 37.948 39.000 -0.422 0.000 1.001 39 F HN 0.045 nan 8.300 nan 0.000 0.479 40 D N 0.086 120.606 120.400 0.200 0.000 2.104 40 D HA -0.198 4.348 4.640 -0.157 0.000 0.194 40 D C 2.075 178.457 176.300 0.137 0.000 0.994 40 D CA 1.696 55.772 54.000 0.127 0.000 0.830 40 D CB -0.263 40.603 40.800 0.111 0.000 0.959 40 D HN 0.442 nan 8.370 nan 0.000 0.452 41 E N -0.175 120.090 120.200 0.109 0.000 2.058 41 E HA -0.152 4.103 4.350 -0.157 0.000 0.194 41 E C 2.464 179.148 176.600 0.140 0.000 0.997 41 E CA 0.837 57.296 56.400 0.099 0.000 0.801 41 E CB -0.082 29.649 29.700 0.051 0.000 0.746 41 E HN 0.430 nan 8.360 nan 0.000 0.450 42 I N 0.783 121.426 120.570 0.122 0.000 2.127 42 I HA -0.267 3.809 4.170 -0.157 0.000 0.241 42 I C 2.522 178.729 176.117 0.150 0.000 1.075 42 I CA 0.963 62.332 61.300 0.115 0.000 1.334 42 I CB -0.609 37.449 38.000 0.095 0.000 1.040 42 I HN 0.021 nan 8.210 nan 0.000 0.405 43 V N 0.828 120.854 119.914 0.187 0.000 2.252 43 V HA -0.358 3.668 4.120 -0.157 0.000 0.249 43 V C 2.613 178.788 176.094 0.135 0.000 1.056 43 V CA 2.371 64.762 62.300 0.152 0.000 1.022 43 V CB -1.102 30.784 31.823 0.106 0.000 0.641 43 V HN 0.531 nan 8.190 nan 0.000 0.445 44 H N -0.061 119.048 119.070 0.065 0.000 2.421 44 H HA -0.154 4.307 4.556 -0.157 0.000 0.298 44 H C 1.926 177.289 175.328 0.057 0.000 1.087 44 H CA 1.902 57.982 56.048 0.053 0.000 1.330 44 H CB 0.058 29.848 29.762 0.046 0.000 1.388 44 H HN 0.459 nan 8.280 nan 0.000 0.526 45 D N 0.127 120.637 120.400 0.184 0.000 2.213 45 D HA -0.016 4.529 4.640 -0.157 0.000 0.205 45 D C 2.300 178.649 176.300 0.081 0.000 0.961 45 D CA 0.539 54.619 54.000 0.134 0.000 0.853 45 D CB 0.221 41.111 40.800 0.151 0.000 0.967 45 D HN 0.412 nan 8.370 nan 0.000 0.496 46 L N -0.077 121.212 121.223 0.110 0.000 2.537 46 L HA 0.298 4.543 4.340 -0.157 0.000 0.224 46 L C 2.336 179.323 176.870 0.194 0.000 1.065 46 L CA 0.285 55.246 54.840 0.201 0.000 0.860 46 L CB -0.237 41.939 42.059 0.194 0.000 1.086 46 L HN -0.112 nan 8.230 nan 0.000 0.482 47 A N 1.533 124.412 122.820 0.098 0.000 1.917 47 A HA -0.142 4.084 4.320 -0.157 0.000 0.219 47 A C -0.156 177.409 177.584 -0.031 0.000 1.182 47 A CA 1.858 53.922 52.037 0.044 0.000 0.633 47 A CB -1.699 17.311 19.000 0.016 0.000 0.819 47 A HN 0.255 nan 8.150 nan 0.000 0.448 48 P HA -0.152 nan 4.420 nan 0.000 0.216 48 P C 1.427 178.662 177.300 -0.108 0.000 1.153 48 P CA 1.543 64.593 63.100 -0.083 0.000 0.848 48 P CB -0.055 31.585 31.700 -0.100 0.000 0.787 49 E N -0.510 119.631 120.200 -0.099 0.000 2.208 49 E HA -0.186 4.069 4.350 -0.157 0.000 0.193 49 E C 1.930 178.244 176.600 -0.476 0.000 0.988 49 E CA 0.710 56.989 56.400 -0.201 0.000 0.828 49 E CB -0.422 29.220 29.700 -0.095 0.000 0.763 49 E HN 0.150 nan 8.360 nan 0.000 0.478 50 N N -0.519 117.903 118.700 -0.464 0.000 2.084 50 N HA -0.262 4.384 4.740 -0.157 0.000 0.190 50 N C 2.287 177.586 175.510 -0.350 0.000 1.030 50 N CA 2.324 55.016 53.050 -0.598 0.000 0.849 50 N CB -0.147 38.216 38.487 -0.206 0.000 1.012 50 N HN 0.129 nan 8.380 nan 0.000 0.423 51 R N 0.819 121.197 120.500 -0.204 0.000 2.091 51 R HA -0.161 4.085 4.340 -0.157 0.000 0.238 51 R C 2.122 178.335 176.300 -0.145 0.000 1.136 51 R CA 2.104 58.122 56.100 -0.138 0.000 0.959 51 R CB -1.633 28.614 30.300 -0.088 0.000 0.856 51 R HN 0.553 nan 8.270 nan 0.000 0.437 52 Q N 0.151 119.851 119.800 -0.166 0.000 2.084 52 Q HA -0.002 4.243 4.340 -0.157 0.000 0.202 52 Q C 2.436 178.341 176.000 -0.158 0.000 0.978 52 Q CA 1.536 57.255 55.803 -0.141 0.000 0.844 52 Q CB -0.251 28.409 28.738 -0.131 0.000 0.898 52 Q HN 0.566 nan 8.270 nan 0.000 0.426 53 L N 0.386 121.465 121.223 -0.238 0.000 2.046 53 L HA -0.209 4.036 4.340 -0.157 0.000 0.208 53 L C 2.262 179.037 176.870 -0.158 0.000 1.077 53 L CA 1.004 55.708 54.840 -0.227 0.000 0.747 53 L CB -0.365 41.474 42.059 -0.366 0.000 0.896 53 L HN 0.252 nan 8.230 nan 0.000 0.432 54 L N -0.790 120.341 121.223 -0.153 0.000 2.156 54 L HA -0.130 4.116 4.340 -0.157 0.000 0.208 54 L C 2.775 179.599 176.870 -0.077 0.000 1.095 54 L CA 0.933 55.711 54.840 -0.103 0.000 0.770 54 L CB -0.713 41.295 42.059 -0.084 0.000 0.914 54 L HN 0.233 nan 8.230 nan 0.000 0.439 55 A N -0.245 122.531 122.820 -0.074 0.000 1.968 55 A HA -0.202 4.024 4.320 -0.157 0.000 0.217 55 A C 2.240 179.799 177.584 -0.042 0.000 1.169 55 A CA 1.309 53.318 52.037 -0.048 0.000 0.638 55 A CB -0.344 18.629 19.000 -0.045 0.000 0.812 55 A HN 0.435 nan 8.150 nan 0.000 0.446 56 E N 0.065 120.229 120.200 -0.059 0.000 2.077 56 E HA -0.225 4.030 4.350 -0.157 0.000 0.193 56 E C 2.190 178.767 176.600 -0.038 0.000 0.989 56 E CA 1.182 57.553 56.400 -0.048 0.000 0.800 56 E CB -0.089 29.573 29.700 -0.064 0.000 0.746 56 E HN 0.615 nan 8.360 nan 0.000 0.452 57 R N 0.451 120.911 120.500 -0.067 0.000 2.083 57 R HA -0.153 4.092 4.340 -0.157 0.000 0.237 57 R C 2.025 178.313 176.300 -0.020 0.000 1.137 57 R CA 1.705 57.756 56.100 -0.081 0.000 0.951 57 R CB -0.250 29.942 30.300 -0.179 0.000 0.851 57 R HN 0.230 nan 8.270 nan 0.000 0.434 58 D N -0.019 120.373 120.400 -0.013 0.000 2.117 58 D HA -0.144 4.402 4.640 -0.157 0.000 0.197 58 D C 1.845 178.166 176.300 0.035 0.000 0.987 58 D CA 0.993 55.005 54.000 0.019 0.000 0.829 58 D CB -0.212 40.597 40.800 0.015 0.000 0.961 58 D HN 0.132 nan 8.370 nan 0.000 0.460 59 R N 0.356 120.869 120.500 0.021 0.000 2.083 59 R HA -0.086 4.159 4.340 -0.157 0.000 0.237 59 R C 2.401 178.731 176.300 0.050 0.000 1.137 59 R CA 1.040 57.158 56.100 0.030 0.000 0.951 59 R CB -0.304 30.003 30.300 0.012 0.000 0.851 59 R HN 0.164 nan 8.270 nan 0.000 0.434 60 I N 0.296 120.897 120.570 0.052 0.000 2.226 60 I HA -0.266 3.809 4.170 -0.157 0.000 0.245 60 I C 2.466 178.648 176.117 0.109 0.000 1.100 60 I CA 1.180 62.529 61.300 0.081 0.000 1.374 60 I CB -0.281 37.788 38.000 0.115 0.000 1.057 60 I HN 0.312 nan 8.210 nan 0.000 0.413 61 Q N 1.321 121.187 119.800 0.110 0.000 2.119 61 Q HA -0.128 4.118 4.340 -0.157 0.000 0.201 61 Q C 2.113 178.179 176.000 0.109 0.000 0.972 61 Q CA 2.049 57.924 55.803 0.120 0.000 0.847 61 Q CB -0.259 28.557 28.738 0.131 0.000 0.903 61 Q HN 0.475 nan 8.270 nan 0.000 0.433 62 A N 0.160 123.038 122.820 0.097 0.000 1.933 62 A HA -0.017 4.208 4.320 -0.157 0.000 0.218 62 A C 2.266 179.931 177.584 0.134 0.000 1.175 62 A CA 1.754 53.848 52.037 0.095 0.000 0.628 62 A CB -1.068 17.977 19.000 0.075 0.000 0.814 62 A HN 0.502 nan 8.150 nan 0.000 0.444 63 A N -0.353 122.562 122.820 0.159 0.000 1.898 63 A HA -0.007 4.219 4.320 -0.157 0.000 0.216 63 A C 2.175 180.005 177.584 0.409 0.000 1.181 63 A CA 1.360 53.554 52.037 0.262 0.000 0.620 63 A CB -0.567 18.560 19.000 0.211 0.000 0.819 63 A HN 0.458 nan 8.150 nan 0.000 0.442 64 L N -0.420 120.993 121.223 0.317 0.000 2.042 64 L HA -0.225 4.021 4.340 -0.157 0.000 0.210 64 L C 2.162 179.255 176.870 0.371 0.000 1.076 64 L CA 1.747 56.807 54.840 0.367 0.000 0.749 64 L CB -0.665 41.516 42.059 0.203 0.000 0.893 64 L HN 0.371 nan 8.230 nan 0.000 0.432 65 D N -0.633 119.903 120.400 0.228 0.000 2.104 65 D HA -0.208 4.337 4.640 -0.157 0.000 0.194 65 D C 2.102 178.500 176.300 0.164 0.000 0.994 65 D CA 1.346 55.445 54.000 0.166 0.000 0.830 65 D CB -0.187 40.659 40.800 0.077 0.000 0.959 65 D HN 0.150 nan 8.370 nan 0.000 0.452 66 E N -0.491 119.798 120.200 0.149 0.000 2.077 66 E HA -0.173 4.082 4.350 -0.157 0.000 0.193 66 E C 1.847 178.477 176.600 0.049 0.000 0.989 66 E CA 1.329 57.781 56.400 0.087 0.000 0.800 66 E CB -0.681 29.063 29.700 0.074 0.000 0.746 66 E HN 0.617 nan 8.360 nan 0.000 0.452 67 W N 0.357 121.553 121.300 -0.174 0.000 2.355 67 W HA -0.189 4.378 4.660 -0.155 0.000 0.309 67 W C 2.511 178.817 176.519 -0.355 0.000 1.206 67 W CA 2.003 59.090 57.345 -0.431 0.000 1.284 67 W CB -0.331 28.584 29.460 -0.908 0.000 1.145 67 W HN 0.414 nan 8.180 nan 0.000 0.502 68 H N -0.517 118.754 119.070 0.334 0.000 2.423 68 H HA -0.087 4.374 4.556 -0.158 0.000 0.297 68 H C 2.194 177.502 175.328 -0.033 0.000 1.075 68 H CA 1.799 57.968 56.048 0.200 0.000 1.342 68 H CB -0.326 29.547 29.762 0.185 0.000 1.395 68 H HN 0.223 nan 8.280 nan 0.000 0.530 69 R N 0.638 121.183 120.500 0.076 0.000 2.115 69 R HA -0.074 4.172 4.340 -0.157 0.000 0.230 69 R C 2.138 178.374 176.300 -0.107 0.000 1.111 69 R CA 1.372 57.474 56.100 0.003 0.000 0.976 69 R CB 0.252 30.560 30.300 0.013 0.000 0.870 69 R HN 0.132 nan 8.270 nan 0.000 0.445 70 S N 0.154 115.724 115.700 -0.218 0.000 2.470 70 S HA 0.088 4.463 4.470 -0.157 0.000 0.225 70 S C 0.414 174.751 174.600 -0.438 0.000 1.006 70 S CA 0.286 58.302 58.200 -0.307 0.000 0.934 70 S CB 0.261 63.250 63.200 -0.353 0.000 0.778 70 S HN 0.314 nan 8.310 nan 0.000 0.517 71 N N 2.119 120.454 118.700 -0.609 0.000 2.818 71 N HA 0.272 4.918 4.740 -0.157 0.000 0.301 71 N C -3.109 172.171 175.510 -0.382 0.000 1.821 71 N CA -1.112 51.517 53.050 -0.701 0.000 0.930 71 N CB 0.899 38.445 38.487 -1.569 0.000 1.263 71 N HN 0.228 nan 8.380 nan 0.000 0.487 72 P HA 0.038 nan 4.420 nan 0.000 0.269 72 P C 0.997 178.260 177.300 -0.062 0.000 1.211 72 P CA 0.741 63.792 63.100 -0.082 0.000 0.781 72 P CB 0.555 32.216 31.700 -0.065 0.000 0.877 73 G N 1.672 110.455 108.800 -0.029 0.000 2.697 73 G HA2 -0.151 3.715 3.960 -0.157 0.000 0.240 73 G HA3 -0.151 3.715 3.960 -0.157 0.000 0.240 73 G C -2.676 172.228 174.900 0.006 0.000 1.346 73 G CA -0.683 44.400 45.100 -0.029 0.000 0.887 73 G HN 0.572 nan 8.290 nan 0.000 0.569 74 P HA 0.299 nan 4.420 nan 0.000 0.266 74 P C 0.393 177.703 177.300 0.017 0.000 1.186 74 P CA -0.276 62.833 63.100 0.015 0.000 0.767 74 P CB 0.389 32.096 31.700 0.011 0.000 0.820 75 V N 2.196 122.122 119.914 0.021 0.000 2.403 75 V HA 0.115 4.140 4.120 -0.157 0.000 0.265 75 V C 1.865 177.988 176.094 0.048 0.000 1.034 75 V CA 1.091 63.402 62.300 0.018 0.000 1.036 75 V CB -0.682 31.102 31.823 -0.066 0.000 1.032 75 V HN 0.724 nan 8.190 nan 0.000 0.478 76 K N 3.366 123.791 120.400 0.041 0.000 2.137 76 K HA -0.019 4.207 4.320 -0.157 0.000 0.202 76 K C 0.932 177.570 176.600 0.062 0.000 1.052 76 K CA 1.135 57.443 56.287 0.034 0.000 0.961 76 K CB 0.051 32.552 32.500 0.002 0.000 0.741 76 K HN 0.654 nan 8.250 nan 0.000 0.452 77 D N -0.084 120.375 120.400 0.099 0.000 2.477 77 D HA 0.256 4.802 4.640 -0.157 0.000 0.239 77 D C 0.450 176.859 176.300 0.181 0.000 1.102 77 D CA -0.274 53.800 54.000 0.124 0.000 0.901 77 D CB 1.233 42.105 40.800 0.120 0.000 1.026 77 D HN 0.239 nan 8.370 nan 0.000 0.515 78 K N 1.876 122.369 120.400 0.154 0.000 2.063 78 K HA -0.167 4.059 4.320 -0.157 0.000 0.208 78 K C 1.809 178.519 176.600 0.183 0.000 1.048 78 K CA 1.427 57.828 56.287 0.190 0.000 0.928 78 K CB 0.192 32.787 32.500 0.159 0.000 0.713 78 K HN 0.410 nan 8.250 nan 0.000 0.442 79 A N 0.865 123.766 122.820 0.134 0.000 1.883 79 A HA -0.168 4.057 4.320 -0.157 0.000 0.217 79 A C 2.301 179.963 177.584 0.130 0.000 1.186 79 A CA 2.058 54.160 52.037 0.108 0.000 0.624 79 A CB -0.873 18.178 19.000 0.085 0.000 0.822 79 A HN 0.425 nan 8.150 nan 0.000 0.444 80 A N -1.796 121.127 122.820 0.172 0.000 1.930 80 A HA -0.075 4.151 4.320 -0.157 0.000 0.217 80 A C 2.140 179.900 177.584 0.293 0.000 1.175 80 A CA 1.669 53.836 52.037 0.216 0.000 0.627 80 A CB -0.752 18.389 19.000 0.234 0.000 0.815 80 A HN 0.681 nan 8.150 nan 0.000 0.443 81 Y N 1.211 121.583 120.300 0.119 0.000 2.145 81 Y HA -0.176 4.278 4.550 -0.159 0.000 0.286 81 Y C 2.134 177.991 175.900 -0.073 0.000 1.145 81 Y CA 2.032 60.084 58.100 -0.080 0.000 1.148 81 Y CB -0.305 38.055 38.460 -0.167 0.000 0.981 81 Y HN 0.322 nan 8.280 nan 0.000 0.507 82 K N -0.494 119.876 120.400 -0.050 0.000 2.148 82 K HA -0.094 4.132 4.320 -0.157 0.000 0.204 82 K C 2.073 178.620 176.600 -0.088 0.000 1.050 82 K CA 1.429 57.624 56.287 -0.154 0.000 0.942 82 K CB -0.244 32.220 32.500 -0.060 0.000 0.724 82 K HN 0.265 nan 8.250 nan 0.000 0.446 83 S N 1.528 117.238 115.700 0.016 0.000 2.383 83 S HA -0.149 4.226 4.470 -0.157 0.000 0.227 83 S C 1.722 176.344 174.600 0.036 0.000 1.026 83 S CA 1.008 59.228 58.200 0.034 0.000 0.981 83 S CB -0.450 62.798 63.200 0.080 0.000 0.818 83 S HN 0.345 nan 8.310 nan 0.000 0.472 84 F N 3.073 122.971 119.950 -0.087 0.000 2.095 84 F HA -0.054 4.378 4.527 -0.158 0.000 0.298 84 F C 1.769 177.456 175.800 -0.188 0.000 1.104 84 F CA 1.131 59.065 58.000 -0.110 0.000 1.232 84 F CB -0.624 38.275 39.000 -0.167 0.000 0.987 84 F HN 0.070 nan 8.300 nan 0.000 0.475 85 L N -0.004 120.906 121.223 -0.522 0.000 2.083 85 L HA -0.195 4.050 4.340 -0.157 0.000 0.209 85 L C 2.679 179.359 176.870 -0.317 0.000 1.083 85 L CA 1.549 56.024 54.840 -0.607 0.000 0.752 85 L CB -0.706 41.045 42.059 -0.513 0.000 0.899 85 L HN 0.091 nan 8.230 nan 0.000 0.433 86 R N 0.051 120.429 120.500 -0.204 0.000 2.075 86 R HA -0.140 4.105 4.340 -0.157 0.000 0.232 86 R C 2.667 178.895 176.300 -0.120 0.000 1.126 86 R CA 1.554 57.583 56.100 -0.119 0.000 0.963 86 R CB -0.548 29.709 30.300 -0.070 0.000 0.858 86 R HN 0.458 nan 8.270 nan 0.000 0.435 87 E N 1.161 121.283 120.200 -0.130 0.000 2.110 87 E HA -0.152 4.104 4.350 -0.157 0.000 0.193 87 E C 1.782 178.296 176.600 -0.143 0.000 0.988 87 E CA 1.400 57.743 56.400 -0.095 0.000 0.804 87 E CB -0.658 29.024 29.700 -0.030 0.000 0.745 87 E HN 0.256 nan 8.360 nan 0.000 0.458 88 L N -0.335 120.711 121.223 -0.295 0.000 2.362 88 L HA 0.250 4.495 4.340 -0.157 0.000 0.219 88 L C 2.026 178.812 176.870 -0.140 0.000 1.134 88 L CA 1.972 56.634 54.840 -0.295 0.000 0.807 88 L CB -0.066 41.605 42.059 -0.647 0.000 0.927 88 L HN 0.614 nan 8.230 nan 0.000 0.447 89 G N -2.085 106.649 108.800 -0.111 0.000 2.136 89 G HA2 -0.422 3.444 3.960 -0.157 0.000 0.242 89 G HA3 -0.422 3.444 3.960 -0.157 0.000 0.242 89 G C 0.664 175.542 174.900 -0.037 0.000 0.989 89 G CA 0.548 45.610 45.100 -0.063 0.000 0.682 89 G HN 0.498 nan 8.290 nan 0.000 0.522 90 Y N -0.027 120.155 120.300 -0.197 0.000 2.231 90 Y HA 0.503 4.958 4.550 -0.157 0.000 0.294 90 Y C 1.557 177.369 175.900 -0.146 0.000 1.120 90 Y CA 0.918 58.913 58.100 -0.176 0.000 1.141 90 Y CB 0.207 38.511 38.460 -0.260 0.000 1.022 90 Y HN 0.221 nan 8.280 nan 0.000 0.523 91 L N 2.063 123.307 121.223 0.034 0.000 2.276 91 L HA 0.388 4.633 4.340 -0.157 0.000 0.286 91 L C -0.746 176.087 176.870 -0.061 0.000 1.061 91 L CA -0.912 53.906 54.840 -0.036 0.000 0.807 91 L CB 1.357 43.394 42.059 -0.038 0.000 1.177 91 L HN -0.001 nan 8.230 nan 0.000 0.429 92 V N 1.905 121.777 119.914 -0.070 0.000 2.864 92 V HA 0.648 4.674 4.120 -0.157 0.000 0.314 92 V C -2.506 173.553 176.094 -0.058 0.000 1.073 92 V CA -2.529 59.734 62.300 -0.060 0.000 0.956 92 V CB 1.460 33.247 31.823 -0.059 0.000 1.023 92 V HN 0.538 nan 8.190 nan 0.000 0.435 93 P HA 0.133 nan 4.420 nan 0.000 0.260 93 P C -0.759 176.506 177.300 -0.058 0.000 1.185 93 P CA 0.449 63.522 63.100 -0.046 0.000 0.763 93 P CB 0.237 31.918 31.700 -0.031 0.000 0.776 94 Q N 4.037 123.788 119.800 -0.081 0.000 2.259 94 Q HA 0.341 4.586 4.340 -0.157 0.000 0.249 94 Q C -1.801 174.148 176.000 -0.086 0.000 0.914 94 Q CA -1.740 53.992 55.803 -0.119 0.000 0.904 94 Q CB 0.029 28.638 28.738 -0.215 0.000 1.213 94 Q HN 0.414 nan 8.270 nan 0.000 0.428 95 P HA 0.116 nan 4.420 nan 0.000 0.269 95 P C 0.203 177.559 177.300 0.095 0.000 1.215 95 P CA 0.130 63.246 63.100 0.027 0.000 0.780 95 P CB 0.559 32.303 31.700 0.073 0.000 0.898 96 E N 0.017 120.295 120.200 0.129 0.000 2.340 96 E HA 0.256 4.511 4.350 -0.157 0.000 0.194 96 E C 1.238 177.994 176.600 0.259 0.000 0.996 96 E CA 1.042 57.559 56.400 0.196 0.000 0.869 96 E CB 0.002 29.758 29.700 0.093 0.000 0.835 96 E HN 0.810 nan 8.360 nan 0.000 0.493 97 R N -0.406 120.181 120.500 0.145 0.000 2.510 97 R HA 0.684 4.930 4.340 -0.157 0.000 0.287 97 R C -1.359 174.950 176.300 0.015 0.000 1.084 97 R CA -0.196 55.898 56.100 -0.010 0.000 0.934 97 R CB 0.919 31.182 30.300 -0.062 0.000 1.201 97 R HN 0.361 nan 8.270 nan 0.000 0.431 98 V N 1.832 121.712 119.914 -0.056 0.000 2.531 98 V HA 0.936 4.961 4.120 -0.157 0.000 0.301 98 V C 0.314 176.378 176.094 -0.051 0.000 1.034 98 V CA 0.028 62.338 62.300 0.017 0.000 0.865 98 V CB 1.758 33.673 31.823 0.155 0.000 0.995 98 V HN 1.232 nan 8.190 nan 0.000 0.424 99 T N 3.353 117.897 114.554 -0.016 0.000 2.892 99 T HA 0.642 4.898 4.350 -0.157 0.000 0.311 99 T C -0.393 174.315 174.700 0.013 0.000 1.033 99 T CA -0.444 61.645 62.100 -0.018 0.000 0.991 99 T CB 0.873 69.725 68.868 -0.028 0.000 0.981 99 T HN 0.340 nan 8.240 nan 0.000 0.457 100 V N 2.323 122.255 119.914 0.030 0.000 2.763 100 V HA 0.570 4.595 4.120 -0.157 0.000 0.306 100 V C 0.831 176.943 176.094 0.030 0.000 1.059 100 V CA 0.549 62.874 62.300 0.041 0.000 1.138 100 V CB 0.856 32.715 31.823 0.061 0.000 0.940 100 V HN 1.027 nan 8.190 nan 0.000 0.489 101 E N 2.496 122.713 120.200 0.028 0.000 2.731 101 E HA 0.557 4.813 4.350 -0.157 0.000 0.248 101 E C -0.253 176.360 176.600 0.021 0.000 1.084 101 E CA -0.208 56.204 56.400 0.021 0.000 0.776 101 E CB 1.422 31.129 29.700 0.013 0.000 1.404 101 E HN 0.884 nan 8.360 nan 0.000 0.395 102 T N -1.922 112.648 114.554 0.026 0.000 2.942 102 T HA 0.880 5.135 4.350 -0.157 0.000 0.289 102 T C 0.476 175.187 174.700 0.018 0.000 1.044 102 T CA -0.095 62.019 62.100 0.023 0.000 1.023 102 T CB 1.838 70.728 68.868 0.037 0.000 1.123 102 T HN 0.916 nan 8.240 nan 0.000 0.512 103 T N -3.347 111.212 114.554 0.007 0.000 2.883 103 T HA 0.654 4.910 4.350 -0.157 0.000 0.296 103 T C 0.815 175.513 174.700 -0.005 0.000 1.117 103 T CA -0.132 61.971 62.100 0.005 0.000 1.006 103 T CB 1.100 69.966 68.868 -0.003 0.000 1.191 103 T HN 2.178 nan 8.240 nan 0.000 0.508 104 G N 0.994 109.795 108.800 0.003 0.000 2.160 104 G HA2 -0.157 3.708 3.960 -0.157 0.000 0.244 104 G HA3 -0.157 3.708 3.960 -0.157 0.000 0.244 104 G C 0.016 174.934 174.900 0.030 0.000 1.022 104 G CA -0.054 45.044 45.100 -0.003 0.000 0.741 104 G HN 0.835 nan 8.290 nan 0.000 0.508 105 I N 0.995 121.608 120.570 0.072 0.000 2.474 105 I HA 0.237 4.313 4.170 -0.157 0.000 0.287 105 I C 0.765 176.971 176.117 0.148 0.000 1.048 105 I CA -0.667 60.727 61.300 0.155 0.000 1.383 105 I CB 0.565 38.647 38.000 0.138 0.000 1.412 105 I HN 0.110 nan 8.210 nan 0.000 0.531 106 D N 2.512 123.038 120.400 0.210 0.000 2.357 106 D HA 0.054 4.599 4.640 -0.157 0.000 0.242 106 D C 1.348 177.685 176.300 0.062 0.000 1.153 106 D CA 0.112 54.179 54.000 0.112 0.000 0.918 106 D CB 0.883 41.741 40.800 0.096 0.000 1.181 106 D HN 0.616 nan 8.370 nan 0.000 0.435 107 S N 0.611 116.329 115.700 0.030 0.000 2.419 107 S HA -0.209 4.166 4.470 -0.157 0.000 0.233 107 S C 1.478 176.088 174.600 0.017 0.000 1.016 107 S CA 0.899 59.114 58.200 0.025 0.000 0.974 107 S CB -0.221 62.992 63.200 0.022 0.000 0.786 107 S HN 0.408 nan 8.310 nan 0.000 0.492 108 E N 1.204 121.405 120.200 0.002 0.000 2.209 108 E HA 0.036 4.291 4.350 -0.157 0.000 0.196 108 E C 1.699 178.302 176.600 0.006 0.000 0.993 108 E CA 1.254 57.647 56.400 -0.012 0.000 0.819 108 E CB -0.340 29.345 29.700 -0.026 0.000 0.745 108 E HN 0.702 nan 8.360 nan 0.000 0.477 109 I N -0.684 119.909 120.570 0.037 0.000 2.927 109 I HA -0.088 3.987 4.170 -0.157 0.000 0.268 109 I C 1.997 178.153 176.117 0.064 0.000 1.153 109 I CA 1.231 62.573 61.300 0.070 0.000 1.459 109 I CB 0.111 38.178 38.000 0.112 0.000 1.149 109 I HN 0.126 nan 8.210 nan 0.000 0.443 110 T N -3.340 111.248 114.554 0.056 0.000 3.060 110 T HA 0.241 4.496 4.350 -0.157 0.000 0.249 110 T C 1.360 176.081 174.700 0.035 0.000 1.079 110 T CA 0.815 62.945 62.100 0.050 0.000 1.013 110 T CB 0.330 69.230 68.868 0.052 0.000 0.975 110 T HN 0.283 nan 8.240 nan 0.000 0.518 111 S N -0.121 115.594 115.700 0.026 0.000 2.679 111 S HA 0.444 4.820 4.470 -0.157 0.000 0.258 111 S C 0.617 175.218 174.600 0.001 0.000 1.068 111 S CA -0.524 57.687 58.200 0.018 0.000 1.115 111 S CB 0.471 63.686 63.200 0.025 0.000 1.078 111 S HN 0.508 nan 8.310 nan 0.000 0.603 112 Q N -0.698 119.097 119.800 -0.009 0.000 2.668 112 Q HA 0.855 5.101 4.340 -0.157 0.000 0.298 112 Q C -1.426 174.543 176.000 -0.050 0.000 1.071 112 Q CA -1.265 54.511 55.803 -0.045 0.000 0.789 112 Q CB 2.235 30.929 28.738 -0.073 0.000 1.497 112 Q HN 0.434 nan 8.270 nan 0.000 0.460 113 A N -0.224 122.532 122.820 -0.106 0.000 2.540 113 A HA 0.878 5.103 4.320 -0.157 0.000 0.297 113 A C -0.877 176.445 177.584 -0.436 0.000 1.056 113 A CA 0.137 52.107 52.037 -0.112 0.000 0.700 113 A CB 1.818 20.850 19.000 0.054 0.000 1.280 113 A HN 0.788 nan 8.150 nan 0.000 0.398 114 G N 0.781 109.135 108.800 -0.743 0.000 2.342 114 G HA2 0.653 4.518 3.960 -0.157 0.000 0.297 114 G HA3 0.653 4.518 3.960 -0.157 0.000 0.297 114 G C -3.545 170.791 174.900 -0.941 0.000 1.313 114 G CA -0.718 43.425 45.100 -1.594 0.000 0.830 114 G HN 0.566 nan 8.290 nan 0.000 0.506 115 P HA 0.164 nan 4.420 nan 0.000 0.267 115 P C -0.716 176.538 177.300 -0.078 0.000 1.195 115 P CA 0.361 63.377 63.100 -0.139 0.000 0.773 115 P CB 0.535 32.217 31.700 -0.030 0.000 0.837 116 Q N 1.561 121.411 119.800 0.083 0.000 2.320 116 Q HA 0.454 4.700 4.340 -0.157 0.000 0.268 116 Q C -1.526 174.408 176.000 -0.109 0.000 1.023 116 Q CA -0.923 54.862 55.803 -0.031 0.000 0.744 116 Q CB 0.797 29.579 28.738 0.075 0.000 1.246 116 Q HN 0.244 nan 8.270 nan 0.000 0.462 117 L N 4.491 125.605 121.223 -0.181 0.000 2.326 117 L HA 0.482 4.727 4.340 -0.157 0.000 0.278 117 L C -1.324 175.361 176.870 -0.309 0.000 1.092 117 L CA -0.111 54.624 54.840 -0.175 0.000 0.810 117 L CB 1.585 43.580 42.059 -0.107 0.000 1.153 117 L HN 0.449 nan 8.230 nan 0.000 0.439 118 V N 6.089 125.823 119.914 -0.300 0.000 2.409 118 V HA 0.609 4.634 4.120 -0.157 0.000 0.291 118 V C -0.503 175.503 176.094 -0.146 0.000 1.020 118 V CA -0.599 61.490 62.300 -0.352 0.000 0.848 118 V CB 1.616 33.117 31.823 -0.538 0.000 0.990 118 V HN 0.601 nan 8.190 nan 0.000 0.430 119 V N 7.572 127.432 119.914 -0.089 0.000 2.841 119 V HA 0.676 4.702 4.120 -0.157 0.000 0.310 119 V C -2.505 173.612 176.094 0.038 0.000 1.090 119 V CA -2.358 59.942 62.300 -0.001 0.000 0.930 119 V CB 3.438 35.270 31.823 0.016 0.000 1.014 119 V HN 0.755 nan 8.190 nan 0.000 0.425 120 P HA 0.323 nan 4.420 nan 0.000 0.276 120 P C -0.356 176.979 177.300 0.058 0.000 1.235 120 P CA 0.175 63.320 63.100 0.075 0.000 0.772 120 P CB 0.990 32.743 31.700 0.089 0.000 0.871 124 A N 3.255 126.003 122.820 -0.120 0.000 1.933 124 A HA -0.115 4.110 4.320 -0.157 0.000 0.218 124 A C 2.326 179.880 177.584 -0.049 0.000 1.175 124 A CA 2.424 54.422 52.037 -0.065 0.000 0.628 124 A CB -0.416 18.553 19.000 -0.052 0.000 0.814 124 A HN 0.823 nan 8.150 nan 0.000 0.444 125 R N -0.872 119.565 120.500 -0.104 0.000 2.070 125 R HA -0.164 4.081 4.340 -0.157 0.000 0.233 125 R C 2.143 178.528 176.300 0.142 0.000 1.137 125 R CA 1.837 57.928 56.100 -0.015 0.000 0.945 125 R CB -1.827 28.456 30.300 -0.029 0.000 0.845 125 R HN 0.806 nan 8.270 nan 0.000 0.430 126 Y N 0.433 120.731 120.300 -0.004 0.000 2.165 126 Y HA -0.191 4.265 4.550 -0.157 0.000 0.286 126 Y C 3.202 179.099 175.900 -0.005 0.000 1.155 126 Y CA 0.516 58.614 58.100 -0.003 0.000 1.164 126 Y CB -0.308 38.151 38.460 -0.003 0.000 0.978 126 Y HN 0.469 nan 8.280 nan 0.000 0.513 127 A N 0.464 123.374 122.820 0.150 0.000 1.902 127 A HA -0.168 4.057 4.320 -0.157 0.000 0.217 127 A C 2.211 179.833 177.584 0.062 0.000 1.181 127 A CA 1.379 53.465 52.037 0.082 0.000 0.623 127 A CB -1.028 18.002 19.000 0.050 0.000 0.818 127 A HN 0.455 nan 8.150 nan 0.000 0.443 128 L N -0.552 120.705 121.223 0.057 0.000 2.056 128 L HA -0.213 4.033 4.340 -0.157 0.000 0.207 128 L C 2.304 179.204 176.870 0.050 0.000 1.078 128 L CA 1.709 56.575 54.840 0.044 0.000 0.749 128 L CB -0.605 41.474 42.059 0.034 0.000 0.901 128 L HN 0.510 nan 8.230 nan 0.000 0.433 129 N N -0.333 118.411 118.700 0.073 0.000 2.244 129 N HA -0.141 4.505 4.740 -0.157 0.000 0.183 129 N C 1.910 177.442 175.510 0.037 0.000 1.016 129 N CA 0.852 53.937 53.050 0.059 0.000 0.866 129 N CB -0.116 38.413 38.487 0.071 0.000 0.980 129 N HN 0.314 nan 8.380 nan 0.000 0.430 130 A N 1.410 124.252 122.820 0.038 0.000 1.877 130 A HA -0.012 4.214 4.320 -0.157 0.000 0.216 130 A C 2.366 179.951 177.584 0.002 0.000 1.186 130 A CA 1.622 53.664 52.037 0.008 0.000 0.620 130 A CB -0.887 18.113 19.000 0.001 0.000 0.822 130 A HN 0.322 nan 8.150 nan 0.000 0.443 131 A N 0.115 122.946 122.820 0.018 0.000 1.940 131 A HA -0.179 4.046 4.320 -0.157 0.000 0.219 131 A C 1.695 179.294 177.584 0.024 0.000 1.176 131 A CA 1.759 53.809 52.037 0.022 0.000 0.631 131 A CB -0.527 18.492 19.000 0.032 0.000 0.814 131 A HN 0.535 nan 8.150 nan 0.000 0.446 132 N N -0.108 118.610 118.700 0.030 0.000 2.398 132 N HA 0.151 4.797 4.740 -0.157 0.000 0.188 132 N C 1.271 176.814 175.510 0.054 0.000 1.122 132 N CA 0.822 53.900 53.050 0.047 0.000 0.866 132 N CB -0.111 38.402 38.487 0.043 0.000 0.970 132 N HN 0.460 nan 8.380 nan 0.000 0.462 133 A N 0.625 123.456 122.820 0.018 0.000 2.239 133 A HA -0.031 4.194 4.320 -0.157 0.000 0.209 133 A C 2.154 179.706 177.584 -0.054 0.000 1.171 133 A CA 0.406 52.440 52.037 -0.006 0.000 0.768 133 A CB -0.227 18.757 19.000 -0.026 0.000 0.790 133 A HN 0.039 nan 8.150 nan 0.000 0.478 134 R N -0.797 119.661 120.500 -0.069 0.000 2.139 134 R HA -0.141 4.105 4.340 -0.157 0.000 0.243 134 R C -0.633 175.353 176.300 -0.524 0.000 1.145 134 R CA 1.114 57.051 56.100 -0.272 0.000 0.976 134 R CB -0.260 29.931 30.300 -0.182 0.000 0.866 134 R HN 0.594 nan 8.270 nan 0.000 0.449 135 W N -1.287 120.004 121.300 -0.015 0.000 2.683 135 W HA 0.621 5.190 4.660 -0.151 0.000 0.329 135 W C -0.227 176.282 176.519 -0.017 0.000 1.037 135 W CA -0.693 56.646 57.345 -0.010 0.000 1.232 135 W CB 1.943 31.396 29.460 -0.012 0.000 1.390 135 W HN 0.089 nan 8.180 nan 0.000 0.465 136 G N 0.695 109.588 108.800 0.155 0.000 2.612 136 G HA2 0.461 4.327 3.960 -0.157 0.000 0.298 136 G HA3 0.461 4.327 3.960 -0.157 0.000 0.298 136 G C -1.269 173.669 174.900 0.064 0.000 1.336 136 G CA -0.860 44.290 45.100 0.082 0.000 0.953 136 G HN 0.298 nan 8.290 nan 0.000 0.482 137 S N 0.721 116.442 115.700 0.035 0.000 2.455 137 S HA 0.096 4.471 4.470 -0.157 0.000 0.278 137 S C 1.367 175.970 174.600 0.005 0.000 1.216 137 S CA -0.629 57.575 58.200 0.007 0.000 1.055 137 S CB 0.769 63.976 63.200 0.011 0.000 0.939 137 S HN 0.599 nan 8.310 nan 0.000 0.494 138 L N 7.218 128.428 121.223 -0.022 0.000 2.156 138 L HA 0.092 4.337 4.340 -0.157 0.000 0.208 138 L C 1.486 178.431 176.870 0.125 0.000 1.095 138 L CA 1.746 56.581 54.840 -0.008 0.000 0.770 138 L CB -0.836 41.196 42.059 -0.046 0.000 0.914 138 L HN 0.797 nan 8.230 nan 0.000 0.439 139 Y N 0.216 120.505 120.300 -0.019 0.000 2.114 139 Y HA -0.211 4.245 4.550 -0.158 0.000 0.284 139 Y C 2.516 178.420 175.900 0.007 0.000 1.143 139 Y CA 1.216 59.319 58.100 0.006 0.000 1.135 139 Y CB -1.054 37.419 38.460 0.021 0.000 0.980 139 Y HN 0.277 nan 8.280 nan 0.000 0.499 140 D N -0.355 120.144 120.400 0.165 0.000 2.104 140 D HA -0.152 4.393 4.640 -0.157 0.000 0.194 140 D C 2.314 178.652 176.300 0.062 0.000 0.994 140 D CA 1.516 55.567 54.000 0.085 0.000 0.830 140 D CB -0.610 40.215 40.800 0.041 0.000 0.959 140 D HN 0.260 nan 8.370 nan 0.000 0.452 141 A N 0.609 123.440 122.820 0.018 0.000 1.908 141 A HA -0.146 4.080 4.320 -0.157 0.000 0.218 141 A C 2.408 179.938 177.584 -0.090 0.000 1.181 141 A CA 1.070 53.084 52.037 -0.039 0.000 0.627 141 A CB -0.806 18.149 19.000 -0.075 0.000 0.818 141 A HN 0.212 nan 8.150 nan 0.000 0.445 142 L N -2.563 118.586 121.223 -0.124 0.000 2.027 142 L HA -0.163 4.083 4.340 -0.157 0.000 0.206 142 L C 2.581 179.377 176.870 -0.123 0.000 1.074 142 L CA 1.671 56.361 54.840 -0.250 0.000 0.745 142 L CB -0.632 41.205 42.059 -0.370 0.000 0.898 142 L HN 0.553 nan 8.230 nan 0.000 0.433 143 Y N 0.909 121.130 120.300 -0.133 0.000 2.165 143 Y HA -0.195 4.260 4.550 -0.158 0.000 0.286 143 Y C 2.223 178.074 175.900 -0.081 0.000 1.155 143 Y CA 1.646 59.690 58.100 -0.093 0.000 1.164 143 Y CB -0.409 38.040 38.460 -0.019 0.000 0.978 143 Y HN 0.086 nan 8.280 nan 0.000 0.513 144 G N -0.716 108.189 108.800 0.176 0.000 3.026 144 G HA2 0.092 3.958 3.960 -0.157 0.000 0.208 144 G HA3 0.092 3.958 3.960 -0.157 0.000 0.208 144 G C 0.335 175.224 174.900 -0.019 0.000 1.169 144 G CA 0.458 45.613 45.100 0.091 0.000 0.788 144 G HN 0.430 nan 8.290 nan 0.000 0.533 145 S N -0.434 115.216 115.700 -0.084 0.000 2.767 145 S HA 0.387 4.762 4.470 -0.157 0.000 0.300 145 S C 0.673 175.196 174.600 -0.128 0.000 1.123 145 S CA 0.016 58.151 58.200 -0.108 0.000 0.992 145 S CB 1.833 64.935 63.200 -0.163 0.000 1.138 145 S HN 0.102 nan 8.310 nan 0.000 0.550 146 D N -0.391 119.949 120.400 -0.100 0.000 2.340 146 D HA 0.117 4.662 4.640 -0.157 0.000 0.217 146 D C 1.332 177.573 176.300 -0.099 0.000 1.081 146 D CA -0.102 53.848 54.000 -0.083 0.000 0.842 146 D CB -0.453 40.328 40.800 -0.031 0.000 0.934 146 D HN 0.537 nan 8.370 nan 0.000 0.511 147 I N 0.170 120.639 120.570 -0.168 0.000 2.286 147 I HA -0.128 3.947 4.170 -0.157 0.000 0.248 147 I C 0.577 176.591 176.117 -0.171 0.000 1.115 147 I CA 0.783 61.963 61.300 -0.201 0.000 1.392 147 I CB 0.158 37.902 38.000 -0.426 0.000 1.065 147 I HN -0.020 nan 8.210 nan 0.000 0.418 148 I N 2.598 123.036 120.570 -0.220 0.000 2.371 148 I HA 0.262 4.337 4.170 -0.157 0.000 0.282 148 I C -2.267 173.764 176.117 -0.144 0.000 1.031 148 I CA -2.714 58.481 61.300 -0.176 0.000 1.180 148 I CB 0.182 38.038 38.000 -0.240 0.000 1.336 148 I HN -0.202 nan 8.210 nan 0.000 0.467 149 P HA 0.075 nan 4.420 nan 0.000 0.261 149 P C 0.003 177.243 177.300 -0.101 0.000 1.183 149 P CA 0.276 63.331 63.100 -0.075 0.000 0.761 149 P CB 0.178 31.854 31.700 -0.040 0.000 0.785 150 Q N 1.132 120.874 119.800 -0.098 0.000 2.296 150 Q HA 0.497 4.742 4.340 -0.157 0.000 0.263 150 Q C 0.442 176.395 176.000 -0.078 0.000 1.026 150 Q CA -0.116 55.622 55.803 -0.109 0.000 0.912 150 Q CB -0.459 28.220 28.738 -0.097 0.000 1.198 150 Q HN 0.663 nan 8.270 nan 0.000 0.407 151 E N 1.054 121.203 120.200 -0.085 0.000 2.518 151 E HA 0.559 4.815 4.350 -0.157 0.000 0.240 151 E C 0.620 177.183 176.600 -0.062 0.000 0.996 151 E CA -0.321 56.042 56.400 -0.061 0.000 0.768 151 E CB 0.503 30.172 29.700 -0.053 0.000 1.329 151 E HN 2.307 nan 8.360 nan 0.000 0.408 152 G N 0.516 109.286 108.800 -0.051 0.000 2.291 152 G HA2 0.215 4.081 3.960 -0.157 0.000 0.271 152 G HA3 0.215 4.081 3.960 -0.157 0.000 0.271 152 G C 0.623 175.490 174.900 -0.055 0.000 1.099 152 G CA 0.363 45.437 45.100 -0.045 0.000 0.919 152 G HN 1.834 nan 8.290 nan 0.000 0.496 156 S N -0.189 115.540 115.700 0.048 0.000 2.593 156 S HA 0.951 5.327 4.470 -0.157 0.000 0.297 156 S C 0.731 175.374 174.600 0.071 0.000 1.112 156 S CA 0.081 58.316 58.200 0.057 0.000 1.043 156 S CB 1.362 64.587 63.200 0.042 0.000 1.054 156 S HN 2.666 nan 8.310 nan 0.000 0.516 157 G N -0.508 108.341 108.800 0.082 0.000 2.685 157 G HA2 0.113 3.978 3.960 -0.157 0.000 0.387 157 G HA3 0.113 3.978 3.960 -0.157 0.000 0.387 157 G C -0.855 174.143 174.900 0.163 0.000 1.324 157 G CA -0.211 44.950 45.100 0.102 0.000 0.878 157 G HN 1.803 nan 8.290 nan 0.000 0.527 158 Y N 1.466 121.785 120.300 0.030 0.000 2.369 158 Y HA 0.568 5.023 4.550 -0.158 0.000 0.337 158 Y C -0.010 175.960 175.900 0.117 0.000 0.961 158 Y CA -0.645 57.481 58.100 0.043 0.000 1.186 158 Y CB 1.466 39.896 38.460 -0.050 0.000 1.139 158 Y HN 0.716 nan 8.280 nan 0.000 0.494 159 D N 8.269 128.545 120.400 -0.207 0.000 2.295 159 D HA 0.290 4.836 4.640 -0.157 0.000 0.248 159 D C -2.150 173.766 176.300 -0.640 0.000 1.154 159 D CA -2.501 51.334 54.000 -0.276 0.000 0.857 159 D CB 1.871 42.580 40.800 -0.152 0.000 1.117 159 D HN 0.320 nan 8.370 nan 0.000 0.468 160 P HA -0.041 nan 4.420 nan 0.000 0.231 160 P C 1.032 178.235 177.300 -0.162 0.000 1.168 160 P CA 0.553 63.452 63.100 -0.335 0.000 0.779 160 P CB 0.300 32.014 31.700 0.024 0.000 0.844 161 Q N 0.059 119.769 119.800 -0.150 0.000 2.083 161 Q HA -0.114 4.131 4.340 -0.157 0.000 0.198 161 Q C 2.442 178.369 176.000 -0.123 0.000 0.969 161 Q CA 1.078 56.822 55.803 -0.097 0.000 0.838 161 Q CB -0.137 28.555 28.738 -0.077 0.000 0.900 161 Q HN -0.018 nan 8.270 nan 0.000 0.436 162 R N -0.536 119.846 120.500 -0.197 0.000 2.066 162 R HA -0.103 4.143 4.340 -0.157 0.000 0.232 162 R C 2.192 178.417 176.300 -0.123 0.000 1.131 162 R CA 1.469 57.419 56.100 -0.250 0.000 0.955 162 R CB -0.660 29.325 30.300 -0.525 0.000 0.851 162 R HN 0.401 nan 8.270 nan 0.000 0.432 163 G N -0.052 108.720 108.800 -0.047 0.000 2.599 163 G HA2 -0.432 3.433 3.960 -0.157 0.000 0.219 163 G HA3 -0.432 3.433 3.960 -0.157 0.000 0.219 163 G C 1.574 176.510 174.900 0.060 0.000 1.193 163 G CA 1.734 46.929 45.100 0.158 0.000 0.778 163 G HN 0.603 nan 8.290 nan 0.000 0.589 164 E N 0.306 120.520 120.200 0.024 0.000 2.097 164 E HA -0.274 3.981 4.350 -0.157 0.000 0.196 164 E C 2.337 178.944 176.600 0.011 0.000 1.000 164 E CA 1.993 58.405 56.400 0.019 0.000 0.804 164 E CB -0.777 28.934 29.700 0.019 0.000 0.740 164 E HN 0.734 nan 8.360 nan 0.000 0.454 165 Q N -0.475 119.320 119.800 -0.008 0.000 2.079 165 Q HA -0.054 4.192 4.340 -0.157 0.000 0.200 165 Q C 2.559 178.590 176.000 0.052 0.000 0.974 165 Q CA 1.415 57.228 55.803 0.017 0.000 0.840 165 Q CB -0.164 28.557 28.738 -0.028 0.000 0.898 165 Q HN 0.498 nan 8.270 nan 0.000 0.430 166 V N 1.173 121.077 119.914 -0.017 0.000 2.255 166 V HA -0.280 3.746 4.120 -0.157 0.000 0.247 166 V C 2.160 178.240 176.094 -0.024 0.000 1.051 166 V CA 1.437 63.708 62.300 -0.047 0.000 1.018 166 V CB -0.506 31.273 31.823 -0.074 0.000 0.641 166 V HN 0.353 nan 8.190 nan 0.000 0.445 167 I N 0.831 121.315 120.570 -0.143 0.000 2.194 167 I HA -0.251 3.825 4.170 -0.157 0.000 0.246 167 I C 2.643 178.831 176.117 0.118 0.000 1.093 167 I CA 1.975 63.217 61.300 -0.095 0.000 1.355 167 I CB -1.866 36.103 38.000 -0.052 0.000 1.046 167 I HN 0.308 nan 8.210 nan 0.000 0.413 168 A N -0.678 122.214 122.820 0.120 0.000 1.898 168 A HA -0.242 3.984 4.320 -0.157 0.000 0.216 168 A C 2.292 179.982 177.584 0.177 0.000 1.181 168 A CA 1.266 53.381 52.037 0.131 0.000 0.620 168 A CB -1.231 17.828 19.000 0.098 0.000 0.819 168 A HN 0.540 nan 8.150 nan 0.000 0.442 169 W N 0.656 121.965 121.300 0.015 0.000 2.333 169 W HA -0.231 4.333 4.660 -0.161 0.000 0.316 169 W C 2.118 178.679 176.519 0.071 0.000 1.215 169 W CA 2.630 59.989 57.345 0.023 0.000 1.278 169 W CB -0.276 29.171 29.460 -0.022 0.000 1.154 169 W HN 0.126 nan 8.180 nan 0.000 0.486 170 V N 1.313 121.538 119.914 0.517 0.000 2.343 170 V HA -0.329 3.697 4.120 -0.157 0.000 0.247 170 V C 2.582 178.824 176.094 0.247 0.000 1.051 170 V CA 1.975 64.542 62.300 0.446 0.000 1.036 170 V CB -0.925 31.213 31.823 0.526 0.000 0.654 170 V HN 0.135 nan 8.190 nan 0.000 0.451 171 R N 0.238 120.850 120.500 0.187 0.000 2.091 171 R HA -0.116 4.129 4.340 -0.157 0.000 0.238 171 R C 2.394 178.721 176.300 0.045 0.000 1.136 171 R CA 1.433 57.603 56.100 0.117 0.000 0.959 171 R CB -0.683 29.705 30.300 0.146 0.000 0.856 171 R HN 0.513 nan 8.270 nan 0.000 0.437 172 R N -0.538 119.962 120.500 -0.000 0.000 2.081 172 R HA -0.130 4.116 4.340 -0.157 0.000 0.235 172 R C 2.216 178.453 176.300 -0.106 0.000 1.131 172 R CA 1.521 57.572 56.100 -0.082 0.000 0.960 172 R CB -0.466 29.710 30.300 -0.207 0.000 0.856 172 R HN 0.185 nan 8.270 nan 0.000 0.436 173 F N 1.436 121.228 119.950 -0.263 0.000 2.134 173 F HA -0.146 4.285 4.527 -0.160 0.000 0.299 173 F C 1.802 177.495 175.800 -0.178 0.000 1.097 173 F CA 1.355 59.213 58.000 -0.236 0.000 1.264 173 F CB -0.167 38.713 39.000 -0.200 0.000 1.001 173 F HN -0.104 nan 8.300 nan 0.000 0.479 174 L N 0.001 121.047 121.223 -0.295 0.000 2.027 174 L HA -0.214 4.032 4.340 -0.157 0.000 0.206 174 L C 2.196 178.831 176.870 -0.392 0.000 1.074 174 L CA 1.492 55.988 54.840 -0.573 0.000 0.745 174 L CB -0.920 40.549 42.059 -0.983 0.000 0.898 174 L HN 0.039 nan 8.230 nan 0.000 0.433 175 D N 0.093 120.401 120.400 -0.153 0.000 2.190 175 D HA -0.199 4.347 4.640 -0.157 0.000 0.200 175 D C 2.078 178.349 176.300 -0.048 0.000 0.992 175 D CA 1.247 55.296 54.000 0.081 0.000 0.854 175 D CB 0.074 40.932 40.800 0.097 0.000 0.936 175 D HN 0.429 nan 8.370 nan 0.000 0.462 176 E N -0.814 119.268 120.200 -0.197 0.000 2.190 176 E HA 0.082 4.338 4.350 -0.157 0.000 0.191 176 E C 1.751 178.214 176.600 -0.230 0.000 0.978 176 E CA 0.516 56.803 56.400 -0.189 0.000 0.839 176 E CB 0.309 29.904 29.700 -0.174 0.000 0.787 176 E HN -0.020 nan 8.360 nan 0.000 0.473 177 S N -0.148 115.298 115.700 -0.424 0.000 2.512 177 S HA 0.202 4.578 4.470 -0.157 0.000 0.216 177 S C 0.403 174.869 174.600 -0.223 0.000 1.006 177 S CA 0.035 58.021 58.200 -0.357 0.000 0.915 177 S CB 0.648 63.501 63.200 -0.579 0.000 0.824 177 S HN -0.002 nan 8.310 nan 0.000 0.497 178 L N 2.206 123.313 121.223 -0.194 0.000 2.913 178 L HA 0.352 4.598 4.340 -0.157 0.000 0.283 178 L C -2.736 174.242 176.870 0.180 0.000 1.336 178 L CA -1.523 53.308 54.840 -0.015 0.000 0.815 178 L CB 0.581 42.611 42.059 -0.047 0.000 1.188 178 L HN -0.092 nan 8.230 nan 0.000 0.551 179 P HA -0.042 nan 4.420 nan 0.000 0.265 179 P C -0.118 177.230 177.300 0.079 0.000 1.187 179 P CA 0.439 63.612 63.100 0.121 0.000 0.766 179 P CB 0.685 32.407 31.700 0.038 0.000 0.820 180 L N 1.952 123.172 121.223 -0.005 0.000 2.418 180 L HA 0.147 4.392 4.340 -0.157 0.000 0.265 180 L C 2.103 178.935 176.870 -0.063 0.000 1.143 180 L CA -0.343 54.431 54.840 -0.109 0.000 0.809 180 L CB 0.225 42.126 42.059 -0.264 0.000 1.124 180 L HN 0.327 nan 8.230 nan 0.000 0.456 181 E N 1.890 122.053 120.200 -0.061 0.000 2.118 181 E HA -0.148 4.107 4.350 -0.157 0.000 0.195 181 E C -0.285 176.285 176.600 -0.050 0.000 0.992 181 E CA 1.517 57.890 56.400 -0.044 0.000 0.804 181 E CB 0.159 29.832 29.700 -0.044 0.000 0.741 181 E HN 0.659 nan 8.360 nan 0.000 0.458 182 N N -1.590 117.067 118.700 -0.072 0.000 2.406 182 N HA 0.527 5.172 4.740 -0.157 0.000 0.283 182 N C -1.257 174.197 175.510 -0.094 0.000 1.074 182 N CA 0.098 53.107 53.050 -0.068 0.000 0.916 182 N CB 2.045 40.496 38.487 -0.060 0.000 1.639 182 N HN 0.288 nan 8.380 nan 0.000 0.485 183 G N 0.466 109.218 108.800 -0.080 0.000 2.541 183 G HA2 0.109 3.974 3.960 -0.157 0.000 0.686 183 G HA3 0.109 3.974 3.960 -0.157 0.000 0.686 183 G C -1.220 173.623 174.900 -0.095 0.000 1.286 183 G CA -0.386 44.659 45.100 -0.092 0.000 0.894 183 G HN 0.716 nan 8.290 nan 0.000 0.575 184 S N -1.456 114.198 115.700 -0.078 0.000 2.566 184 S HA 0.697 5.072 4.470 -0.157 0.000 0.298 184 S C 0.897 175.478 174.600 -0.031 0.000 1.083 184 S CA -0.172 58.018 58.200 -0.016 0.000 0.978 184 S CB 1.447 64.662 63.200 0.025 0.000 1.073 184 S HN 0.896 nan 8.310 nan 0.000 0.491 185 Y N 1.524 121.829 120.300 0.008 0.000 2.483 185 Y HA -0.017 4.439 4.550 -0.157 0.000 0.291 185 Y C 3.046 178.963 175.900 0.029 0.000 1.143 185 Y CA 1.736 59.856 58.100 0.033 0.000 1.289 185 Y CB -0.769 37.744 38.460 0.088 0.000 0.983 185 Y HN 0.902 nan 8.280 nan 0.000 0.556 186 Q N 0.144 120.043 119.800 0.164 0.000 2.364 186 Q HA -0.126 4.119 4.340 -0.157 0.000 0.209 186 Q C 0.991 177.016 176.000 0.042 0.000 0.977 186 Q CA 1.842 57.704 55.803 0.098 0.000 0.885 186 Q CB -0.396 28.383 28.738 0.068 0.000 0.941 186 Q HN 0.458 nan 8.270 nan 0.000 0.464 187 D N -0.985 119.418 120.400 0.004 0.000 2.440 187 D HA 0.217 4.763 4.640 -0.157 0.000 0.216 187 D C -0.416 175.836 176.300 -0.081 0.000 1.150 187 D CA -0.069 53.909 54.000 -0.037 0.000 0.832 187 D CB 0.730 41.501 40.800 -0.048 0.000 0.992 187 D HN 0.326 nan 8.370 nan 0.000 0.502 188 V N 1.775 121.634 119.914 -0.091 0.000 2.715 188 V HA 0.029 4.054 4.120 -0.157 0.000 0.299 188 V C 1.700 177.696 176.094 -0.162 0.000 1.054 188 V CA 0.025 62.208 62.300 -0.196 0.000 1.077 188 V CB 1.812 33.494 31.823 -0.235 0.000 0.972 188 V HN 0.098 nan 8.190 nan 0.000 0.484 189 V N 0.988 120.781 119.914 -0.202 0.000 3.612 189 V HA 0.828 4.854 4.120 -0.157 0.000 0.268 189 V C 0.404 176.428 176.094 -0.116 0.000 1.365 189 V CA 0.705 62.926 62.300 -0.130 0.000 1.044 189 V CB 0.218 31.988 31.823 -0.089 0.000 0.820 189 V HN 1.113 nan 8.190 nan 0.000 0.444 190 A N -0.330 122.345 122.820 -0.241 0.000 2.586 190 A HA 0.819 5.045 4.320 -0.157 0.000 0.291 190 A C -1.844 175.495 177.584 -0.409 0.000 1.062 190 A CA -0.464 51.470 52.037 -0.172 0.000 0.666 190 A CB 1.101 20.065 19.000 -0.060 0.000 1.281 190 A HN 0.314 nan 8.150 nan 0.000 0.421 191 F N 1.032 120.975 119.950 -0.012 0.000 2.565 191 F HA 0.742 5.175 4.527 -0.157 0.000 0.313 191 F C 0.270 176.023 175.800 -0.078 0.000 1.091 191 F CA -0.421 57.547 58.000 -0.054 0.000 0.915 191 F CB 2.659 41.641 39.000 -0.029 0.000 1.208 191 F HN 0.619 nan 8.300 nan 0.000 0.453 192 K N 1.073 121.499 120.400 0.043 0.000 2.546 192 K HA 0.642 4.867 4.320 -0.157 0.000 0.264 192 K C -2.022 174.479 176.600 -0.165 0.000 0.937 192 K CA -0.729 55.526 56.287 -0.052 0.000 0.833 192 K CB 1.621 34.093 32.500 -0.047 0.000 1.378 192 K HN 0.390 nan 8.250 nan 0.000 0.432 193 V N 1.345 121.116 119.914 -0.240 0.000 2.348 193 V HA 0.590 4.615 4.120 -0.157 0.000 0.270 193 V C 0.086 176.085 176.094 -0.158 0.000 1.037 193 V CA -0.696 61.420 62.300 -0.306 0.000 0.872 193 V CB 0.864 32.383 31.823 -0.505 0.000 1.002 193 V HN 0.702 nan 8.190 nan 0.000 0.464 194 V N 2.252 122.095 119.914 -0.120 0.000 2.443 194 V HA 0.707 4.733 4.120 -0.157 0.000 0.293 194 V C 0.518 176.601 176.094 -0.018 0.000 1.021 194 V CA -0.141 62.126 62.300 -0.056 0.000 0.848 194 V CB 1.195 32.985 31.823 -0.054 0.000 0.998 194 V HN 1.092 nan 8.190 nan 0.000 0.424 195 D N 2.824 123.231 120.400 0.013 0.000 2.689 195 D HA 0.049 4.595 4.640 -0.157 0.000 0.237 195 D C 0.770 177.107 176.300 0.061 0.000 1.148 195 D CA 1.868 55.889 54.000 0.034 0.000 0.656 195 D CB -2.189 38.624 40.800 0.021 0.000 1.050 195 D HN 2.197 nan 8.370 nan 0.000 0.426 196 K N -2.546 117.912 120.400 0.097 0.000 3.341 196 K HA -0.183 4.042 4.320 -0.157 0.000 0.305 196 K C 0.278 177.025 176.600 0.243 0.000 1.270 196 K CA 1.868 58.265 56.287 0.182 0.000 0.897 196 K CB -1.966 30.625 32.500 0.151 0.000 1.264 196 K HN 1.303 nan 8.250 nan 0.000 0.468 197 Q N -1.002 118.855 119.800 0.095 0.000 2.413 197 Q HA 0.598 4.844 4.340 -0.157 0.000 0.276 197 Q C -0.475 175.320 176.000 -0.342 0.000 1.099 197 Q CA -1.153 54.651 55.803 0.000 0.000 0.814 197 Q CB 1.777 30.514 28.738 -0.002 0.000 1.379 197 Q HN 0.232 nan 8.270 nan 0.000 0.436 198 L N 2.334 123.184 121.223 -0.622 0.000 2.313 198 L HA 0.241 4.487 4.340 -0.157 0.000 0.282 198 L C -0.468 176.232 176.870 -0.283 0.000 1.092 198 L CA 0.522 54.933 54.840 -0.715 0.000 0.831 198 L CB 0.269 41.836 42.059 -0.820 0.000 1.159 198 L HN 0.358 nan 8.230 nan 0.000 0.442 199 R N 6.204 126.575 120.500 -0.216 0.000 2.343 199 R HA 0.506 4.751 4.340 -0.157 0.000 0.320 199 R C -1.239 174.983 176.300 -0.131 0.000 0.956 199 R CA -0.823 55.192 56.100 -0.142 0.000 0.836 199 R CB 1.292 31.520 30.300 -0.120 0.000 1.151 199 R HN 0.483 nan 8.270 nan 0.000 0.450 200 I N 2.068 122.536 120.570 -0.170 0.000 2.354 200 I HA 0.188 4.263 4.170 -0.157 0.000 0.292 200 I C 0.288 176.232 176.117 -0.289 0.000 0.989 200 I CA -0.343 60.774 61.300 -0.306 0.000 1.188 200 I CB 1.619 39.424 38.000 -0.324 0.000 1.342 200 I HN 0.362 nan 8.210 nan 0.000 0.457 201 Q N 6.326 125.929 119.800 -0.328 0.000 2.256 201 Q HA 0.645 4.891 4.340 -0.157 0.000 0.257 201 Q C -1.418 174.440 176.000 -0.236 0.000 0.936 201 Q CA -0.651 55.014 55.803 -0.229 0.000 0.903 201 Q CB 1.484 30.123 28.738 -0.165 0.000 1.263 201 Q HN 0.629 nan 8.270 nan 0.000 0.440 202 L N 2.449 123.569 121.223 -0.172 0.000 2.365 202 L HA 0.424 4.670 4.340 -0.157 0.000 0.267 202 L C 1.652 178.460 176.870 -0.103 0.000 1.033 202 L CA -0.259 54.494 54.840 -0.145 0.000 0.802 202 L CB 0.523 42.506 42.059 -0.126 0.000 1.267 202 L HN 0.818 nan 8.230 nan 0.000 0.457 203 K N 1.155 121.504 120.400 -0.085 0.000 2.074 203 K HA -0.209 4.016 4.320 -0.157 0.000 0.209 203 K C 1.416 177.986 176.600 -0.050 0.000 1.048 203 K CA 2.123 58.374 56.287 -0.061 0.000 0.926 203 K CB -1.346 31.125 32.500 -0.048 0.000 0.713 203 K HN 0.896 nan 8.250 nan 0.000 0.444 204 N N -0.943 117.727 118.700 -0.051 0.000 2.520 204 N HA 0.100 4.745 4.740 -0.157 0.000 0.185 204 N C 1.417 176.901 175.510 -0.044 0.000 1.068 204 N CA 1.554 54.578 53.050 -0.043 0.000 0.911 204 N CB 0.077 38.538 38.487 -0.042 0.000 0.961 204 N HN 0.855 nan 8.380 nan 0.000 0.446 205 G N -2.229 106.540 108.800 -0.053 0.000 2.238 205 G HA2 -0.192 3.673 3.960 -0.157 0.000 0.217 205 G HA3 -0.192 3.673 3.960 -0.157 0.000 0.217 205 G C 0.338 175.203 174.900 -0.058 0.000 0.996 205 G CA 0.344 45.414 45.100 -0.051 0.000 0.632 205 G HN 0.811 nan 8.290 nan 0.000 0.503 206 K N 0.779 121.141 120.400 -0.063 0.000 2.258 206 K HA 0.698 4.924 4.320 -0.157 0.000 0.264 206 K C 0.184 176.732 176.600 -0.087 0.000 1.007 206 K CA 0.633 56.880 56.287 -0.067 0.000 0.941 206 K CB 0.558 33.021 32.500 -0.062 0.000 0.966 206 K HN 0.594 nan 8.250 nan 0.000 0.480 207 E N 0.653 120.803 120.200 -0.084 0.000 2.210 207 E HA 0.453 4.709 4.350 -0.157 0.000 0.266 207 E C -0.832 175.707 176.600 -0.102 0.000 0.883 207 E CA -0.472 55.867 56.400 -0.102 0.000 0.761 207 E CB 1.982 31.628 29.700 -0.089 0.000 1.156 207 E HN 0.707 nan 8.360 nan 0.000 0.412 208 T N 1.271 115.750 114.554 -0.126 0.000 2.633 208 T HA 0.649 4.905 4.350 -0.157 0.000 0.262 208 T C -0.605 174.029 174.700 -0.111 0.000 0.920 208 T CA 0.051 62.084 62.100 -0.112 0.000 1.062 208 T CB 1.417 70.214 68.868 -0.119 0.000 1.390 208 T HN 0.654 nan 8.240 nan 0.000 0.549 209 T N -0.738 113.760 114.554 -0.094 0.000 2.696 209 T HA 0.686 4.942 4.350 -0.157 0.000 0.291 209 T C -0.771 173.894 174.700 -0.058 0.000 1.095 209 T CA -0.902 61.153 62.100 -0.075 0.000 1.026 209 T CB 0.378 69.216 68.868 -0.051 0.000 1.390 209 T HN 0.521 nan 8.240 nan 0.000 0.513 210 L N 1.119 122.331 121.223 -0.017 0.000 2.371 210 L HA 0.570 4.815 4.340 -0.157 0.000 0.272 210 L C 2.475 179.355 176.870 0.017 0.000 1.124 210 L CA -0.677 54.175 54.840 0.020 0.000 0.816 210 L CB 0.437 42.541 42.059 0.075 0.000 1.129 210 L HN 1.056 nan 8.230 nan 0.000 0.448 211 R N 1.785 122.296 120.500 0.018 0.000 2.159 211 R HA -0.053 4.192 4.340 -0.157 0.000 0.237 211 R C 0.875 177.189 176.300 0.024 0.000 1.131 211 R CA 1.585 57.693 56.100 0.013 0.000 0.982 211 R CB -1.112 29.193 30.300 0.007 0.000 0.868 211 R HN 0.693 nan 8.270 nan 0.000 0.453 212 T N 0.450 115.028 114.554 0.040 0.000 3.068 212 T HA 0.330 4.586 4.350 -0.157 0.000 0.364 212 T C -2.346 172.398 174.700 0.073 0.000 1.161 212 T CA -1.084 61.045 62.100 0.048 0.000 1.155 212 T CB 2.067 70.961 68.868 0.043 0.000 1.060 212 T HN 0.062 nan 8.240 nan 0.000 0.513 213 P HA -0.093 nan 4.420 nan 0.000 0.217 213 P C 1.467 178.855 177.300 0.146 0.000 1.148 213 P CA 0.620 63.785 63.100 0.108 0.000 0.828 213 P CB 0.143 31.894 31.700 0.085 0.000 0.783 214 A N -0.521 122.361 122.820 0.102 0.000 2.172 214 A HA -0.203 4.023 4.320 -0.157 0.000 0.216 214 A C 2.086 179.723 177.584 0.089 0.000 1.154 214 A CA 1.087 53.177 52.037 0.088 0.000 0.701 214 A CB -1.040 17.992 19.000 0.053 0.000 0.789 214 A HN 0.247 nan 8.150 nan 0.000 0.465 215 Q N -1.749 118.120 119.800 0.116 0.000 2.364 215 Q HA -0.027 4.218 4.340 -0.157 0.000 0.207 215 Q C -0.041 176.061 176.000 0.170 0.000 0.970 215 Q CA 0.209 56.080 55.803 0.114 0.000 0.888 215 Q CB -0.065 28.739 28.738 0.111 0.000 0.951 215 Q HN 0.680 nan 8.270 nan 0.000 0.469 216 F N 0.280 120.260 119.950 0.050 0.000 2.421 216 F HA 0.126 4.558 4.527 -0.158 0.000 0.358 216 F C 0.445 176.282 175.800 0.062 0.000 1.115 216 F CA -0.336 57.698 58.000 0.057 0.000 1.160 216 F CB 0.742 39.778 39.000 0.059 0.000 1.123 216 F HN -0.340 nan 8.300 nan 0.000 0.508 217 V N 5.028 124.642 119.914 -0.499 0.000 3.048 217 V HA 0.481 4.507 4.120 -0.157 0.000 0.241 217 V C 1.040 176.745 176.094 -0.648 0.000 1.129 217 V CA 0.816 62.836 62.300 -0.467 0.000 1.128 217 V CB 0.063 31.798 31.823 -0.146 0.000 0.849 217 V HN 0.984 nan 8.190 nan 0.000 0.475 218 G N -0.923 107.479 108.800 -0.662 0.000 2.427 218 G HA2 0.544 4.409 3.960 -0.157 0.000 0.306 218 G HA3 0.544 4.409 3.960 -0.157 0.000 0.306 218 G C -1.813 173.204 174.900 0.195 0.000 1.280 218 G CA 0.136 45.077 45.100 -0.265 0.000 0.837 218 G HN 0.334 nan 8.290 nan 0.000 0.482 219 Y N -2.400 117.951 120.300 0.086 0.000 2.852 219 Y HA 0.850 5.305 4.550 -0.158 0.000 0.350 219 Y C -1.041 174.982 175.900 0.206 0.000 1.272 219 Y CA -1.651 56.563 58.100 0.191 0.000 1.086 219 Y CB 0.725 39.328 38.460 0.239 0.000 1.408 219 Y HN 0.727 nan 8.280 nan 0.000 0.447 220 R N 0.676 121.305 120.500 0.214 0.000 2.795 220 R HA 0.669 4.914 4.340 -0.157 0.000 0.275 220 R C -0.075 176.335 176.300 0.184 0.000 0.981 220 R CA -0.446 55.691 56.100 0.061 0.000 0.917 220 R CB 2.019 32.330 30.300 0.019 0.000 1.202 220 R HN 1.514 nan 8.270 nan 0.000 0.469 221 G N 1.557 110.417 108.800 0.100 0.000 2.642 221 G HA2 -0.255 3.610 3.960 -0.157 0.000 0.231 221 G HA3 -0.255 3.610 3.960 -0.157 0.000 0.231 221 G C -0.895 174.140 174.900 0.226 0.000 1.338 221 G CA -0.290 44.887 45.100 0.129 0.000 0.883 221 G HN 0.640 nan 8.290 nan 0.000 0.570 222 D N 1.089 121.591 120.400 0.170 0.000 2.458 222 D HA 0.421 4.966 4.640 -0.157 0.000 0.243 222 D C 1.676 178.085 176.300 0.182 0.000 1.146 222 D CA 0.829 54.929 54.000 0.166 0.000 0.877 222 D CB 1.103 41.959 40.800 0.093 0.000 1.176 222 D HN 1.012 nan 8.370 nan 0.000 0.461 223 A N 3.884 126.809 122.820 0.176 0.000 2.076 223 A HA -0.112 4.113 4.320 -0.157 0.000 0.220 223 A C 1.958 179.511 177.584 -0.051 0.000 1.160 223 A CA 1.853 53.863 52.037 -0.046 0.000 0.653 223 A CB -0.245 18.720 19.000 -0.058 0.000 0.801 223 A HN 0.628 nan 8.150 nan 0.000 0.455 224 A N -1.635 121.194 122.820 0.016 0.000 2.123 224 A HA 0.537 4.762 4.320 -0.157 0.000 0.214 224 A C 1.160 178.758 177.584 0.023 0.000 1.152 224 A CA 1.195 53.236 52.037 0.007 0.000 0.728 224 A CB -0.236 18.773 19.000 0.015 0.000 0.814 224 A HN 1.433 nan 8.150 nan 0.000 0.464 225 A N 0.047 122.896 122.820 0.049 0.000 3.330 225 A HA 0.551 4.777 4.320 -0.157 0.000 0.256 225 A C -3.113 174.532 177.584 0.102 0.000 1.185 225 A CA -0.943 51.138 52.037 0.073 0.000 0.940 225 A CB 0.097 19.134 19.000 0.060 0.000 1.397 225 A HN 0.122 nan 8.150 nan 0.000 0.678 226 P HA 0.229 nan 4.420 nan 0.000 0.269 226 P C 0.927 178.317 177.300 0.149 0.000 1.209 226 P CA 0.390 63.598 63.100 0.180 0.000 0.776 226 P CB 0.838 32.666 31.700 0.213 0.000 0.876 227 T N -0.195 114.445 114.554 0.143 0.000 3.043 227 T HA 0.074 4.329 4.350 -0.157 0.000 0.263 227 T C 0.597 175.348 174.700 0.085 0.000 1.094 227 T CA 0.690 62.846 62.100 0.093 0.000 1.127 227 T CB -0.251 68.657 68.868 0.068 0.000 0.905 227 T HN 0.738 nan 8.240 nan 0.000 0.490 228 C N 0.929 120.302 119.300 0.122 0.000 3.171 228 C HA 0.714 5.079 4.460 -0.157 0.000 0.336 228 C C -2.162 172.920 174.990 0.153 0.000 1.198 228 C CA -1.415 57.664 59.018 0.101 0.000 1.319 228 C CB 0.423 28.213 27.740 0.082 0.000 1.682 228 C HN 0.099 nan 8.230 nan 0.000 0.497 229 I N 4.350 124.953 120.570 0.055 0.000 2.389 229 I HA 0.531 4.606 4.170 -0.157 0.000 0.288 229 I C -0.274 175.886 176.117 0.071 0.000 0.999 229 I CA -0.879 60.464 61.300 0.072 0.000 1.129 229 I CB 1.258 39.133 38.000 -0.209 0.000 1.288 229 I HN 0.749 nan 8.210 nan 0.000 0.444 230 L N 7.841 129.122 121.223 0.096 0.000 2.272 230 L HA 0.607 4.852 4.340 -0.157 0.000 0.289 230 L C -0.856 176.046 176.870 0.053 0.000 1.032 230 L CA 0.108 54.923 54.840 -0.041 0.000 0.810 230 L CB 0.633 42.441 42.059 -0.419 0.000 1.205 230 L HN 0.438 nan 8.230 nan 0.000 0.422 231 L N 3.826 125.110 121.223 0.102 0.000 2.271 231 L HA 0.787 5.033 4.340 -0.157 0.000 0.265 231 L C -0.601 176.330 176.870 0.101 0.000 1.013 231 L CA -1.043 53.870 54.840 0.122 0.000 0.820 231 L CB 1.979 44.110 42.059 0.120 0.000 1.352 231 L HN 0.425 nan 8.230 nan 0.000 0.443 232 K N 0.966 121.389 120.400 0.038 0.000 2.543 232 K HA 0.545 4.771 4.320 -0.157 0.000 0.255 232 K C -2.034 174.563 176.600 -0.005 0.000 0.934 232 K CA -0.735 55.501 56.287 -0.085 0.000 0.810 232 K CB 1.951 34.296 32.500 -0.258 0.000 1.315 232 K HN 0.840 nan 8.250 nan 0.000 0.433 233 N N 1.913 120.655 118.700 0.070 0.000 2.308 233 N HA 0.400 5.045 4.740 -0.157 0.000 0.283 233 N C -0.816 174.729 175.510 0.057 0.000 1.105 233 N CA -0.275 52.848 53.050 0.121 0.000 0.840 233 N CB 1.422 40.045 38.487 0.226 0.000 1.633 233 N HN 0.730 nan 8.380 nan 0.000 0.476 234 N N 1.927 120.633 118.700 0.010 0.000 2.696 234 N HA -0.186 4.459 4.740 -0.157 0.000 0.249 234 N C 0.770 176.224 175.510 -0.093 0.000 1.090 234 N CA 1.903 54.927 53.050 -0.043 0.000 0.716 234 N CB -1.348 37.109 38.487 -0.051 0.000 1.020 234 N HN 1.100 nan 8.380 nan 0.000 0.548 235 G N -2.101 106.638 108.800 -0.102 0.000 2.205 235 G HA2 -0.319 3.547 3.960 -0.157 0.000 0.261 235 G HA3 -0.319 3.547 3.960 -0.157 0.000 0.261 235 G C -0.027 174.742 174.900 -0.219 0.000 0.980 235 G CA 0.543 45.561 45.100 -0.137 0.000 0.632 235 G HN 0.419 nan 8.290 nan 0.000 0.533 236 L N 0.666 121.756 121.223 -0.221 0.000 2.325 236 L HA 0.652 4.898 4.340 -0.157 0.000 0.278 236 L C 0.600 177.399 176.870 -0.118 0.000 1.023 236 L CA -1.281 53.450 54.840 -0.183 0.000 0.811 236 L CB 1.271 43.194 42.059 -0.227 0.000 1.249 236 L HN 0.180 nan 8.230 nan 0.000 0.431 237 H N 2.323 121.443 119.070 0.082 0.000 2.505 237 H HA 0.618 5.080 4.556 -0.157 0.000 0.355 237 H C -0.642 174.823 175.328 0.228 0.000 1.179 237 H CA -0.116 56.041 56.048 0.182 0.000 1.343 237 H CB 1.319 31.275 29.762 0.323 0.000 1.501 237 H HN 0.348 nan 8.280 nan 0.000 0.569 238 I N 1.221 121.987 120.570 0.327 0.000 2.607 238 I HA 0.232 4.307 4.170 -0.157 0.000 0.290 238 I C -0.833 175.386 176.117 0.170 0.000 1.129 238 I CA -0.567 60.865 61.300 0.220 0.000 1.042 238 I CB 2.119 40.184 38.000 0.109 0.000 1.242 238 I HN 0.561 nan 8.210 nan 0.000 0.421 239 E N 6.606 126.890 120.200 0.140 0.000 2.238 239 E HA 0.605 4.860 4.350 -0.157 0.000 0.267 239 E C -1.357 175.241 176.600 -0.003 0.000 0.887 239 E CA -0.901 55.539 56.400 0.066 0.000 0.769 239 E CB 2.814 32.557 29.700 0.072 0.000 1.187 239 E HN 0.396 nan 8.360 nan 0.000 0.416 240 L N 2.545 123.742 121.223 -0.044 0.000 2.272 240 L HA 0.315 4.561 4.340 -0.157 0.000 0.289 240 L C -0.084 176.754 176.870 -0.053 0.000 1.032 240 L CA -0.632 54.157 54.840 -0.084 0.000 0.810 240 L CB 0.717 42.667 42.059 -0.180 0.000 1.205 240 L HN 0.363 nan 8.230 nan 0.000 0.422 241 Q N 4.497 124.273 119.800 -0.041 0.000 2.340 241 Q HA 0.478 4.724 4.340 -0.157 0.000 0.259 241 Q C -0.899 175.123 176.000 0.037 0.000 0.964 241 Q CA -0.766 55.034 55.803 -0.006 0.000 0.900 241 Q CB 2.514 31.238 28.738 -0.024 0.000 1.228 241 Q HN 0.436 nan 8.270 nan 0.000 0.449 242 I N 2.470 123.078 120.570 0.065 0.000 2.307 242 I HA 0.313 4.388 4.170 -0.157 0.000 0.289 242 I C -0.382 175.788 176.117 0.089 0.000 1.021 242 I CA -0.469 60.903 61.300 0.119 0.000 1.224 242 I CB 0.693 38.780 38.000 0.146 0.000 1.376 242 I HN 0.549 nan 8.210 nan 0.000 0.470 243 D N 4.827 125.287 120.400 0.100 0.000 2.470 243 D HA 0.443 4.988 4.640 -0.157 0.000 0.233 243 D C 0.491 176.816 176.300 0.041 0.000 1.372 243 D CA -0.380 53.645 54.000 0.042 0.000 0.994 243 D CB 2.041 42.855 40.800 0.023 0.000 1.377 243 D HN 0.523 nan 8.370 nan 0.000 0.586 244 A N 3.615 126.373 122.820 -0.103 0.000 2.119 244 A HA -0.082 4.143 4.320 -0.157 0.000 0.217 244 A C 1.315 178.857 177.584 -0.070 0.000 1.153 244 A CA 0.723 52.600 52.037 -0.265 0.000 0.692 244 A CB -0.039 18.444 19.000 -0.862 0.000 0.799 244 A HN 0.531 nan 8.150 nan 0.000 0.458 245 N N 0.174 118.848 118.700 -0.043 0.000 2.280 245 N HA 0.077 4.722 4.740 -0.157 0.000 0.192 245 N C 0.822 176.329 175.510 -0.005 0.000 1.109 245 N CA 0.649 53.687 53.050 -0.020 0.000 0.855 245 N CB 0.274 38.744 38.487 -0.028 0.000 0.974 245 N HN 0.385 nan 8.380 nan 0.000 0.482 246 G N 0.005 108.811 108.800 0.009 0.000 2.539 246 G HA2 0.325 4.191 3.960 -0.157 0.000 0.258 246 G HA3 0.325 4.191 3.960 -0.157 0.000 0.258 246 G C 1.199 176.089 174.900 -0.016 0.000 1.202 246 G CA -0.048 45.050 45.100 -0.004 0.000 0.851 246 G HN 0.272 nan 8.290 nan 0.000 0.556 247 R N 0.414 120.877 120.500 -0.063 0.000 2.127 247 R HA -0.001 4.245 4.340 -0.157 0.000 0.238 247 R C 2.167 178.379 176.300 -0.147 0.000 1.134 247 R CA 1.955 57.986 56.100 -0.115 0.000 0.975 247 R CB -0.906 29.278 30.300 -0.193 0.000 0.865 247 R HN 0.674 nan 8.270 nan 0.000 0.447 248 I N -0.881 119.615 120.570 -0.123 0.000 2.628 248 I HA 0.093 4.169 4.170 -0.157 0.000 0.255 248 I C 2.924 179.073 176.117 0.052 0.000 1.119 248 I CA 0.781 62.036 61.300 -0.074 0.000 1.448 248 I CB -0.238 37.739 38.000 -0.038 0.000 1.133 248 I HN 0.421 nan 8.210 nan 0.000 0.438 249 G N 1.393 110.244 108.800 0.086 0.000 2.469 249 G HA2 -0.398 3.468 3.960 -0.157 0.000 0.219 249 G HA3 -0.398 3.468 3.960 -0.157 0.000 0.219 249 G C 1.905 176.947 174.900 0.236 0.000 1.150 249 G CA 1.624 46.824 45.100 0.166 0.000 0.763 249 G HN 0.389 nan 8.290 nan 0.000 0.561 250 K N 0.491 120.985 120.400 0.155 0.000 2.127 250 K HA -0.161 4.064 4.320 -0.157 0.000 0.208 250 K C 1.986 178.686 176.600 0.167 0.000 1.047 250 K CA 2.095 58.480 56.287 0.164 0.000 0.927 250 K CB -0.644 31.903 32.500 0.079 0.000 0.716 250 K HN 0.428 nan 8.250 nan 0.000 0.450 251 D N -0.230 120.235 120.400 0.108 0.000 2.369 251 D HA 0.017 4.563 4.640 -0.157 0.000 0.211 251 D C -0.502 175.819 176.300 0.035 0.000 1.077 251 D CA -0.177 53.867 54.000 0.074 0.000 0.842 251 D CB 0.164 41.008 40.800 0.075 0.000 0.947 251 D HN 0.570 nan 8.370 nan 0.000 0.509 252 D N 1.205 121.620 120.400 0.024 0.000 2.304 252 D HA 0.053 4.599 4.640 -0.157 0.000 0.250 252 D C -1.591 174.595 176.300 -0.190 0.000 1.107 252 D CA -1.884 52.106 54.000 -0.018 0.000 0.885 252 D CB 2.671 43.508 40.800 0.062 0.000 1.192 252 D HN -0.152 nan 8.370 nan 0.000 0.436 253 P HA -0.075 nan 4.420 nan 0.000 0.219 253 P C 0.423 177.589 177.300 -0.223 0.000 1.146 253 P CA 0.886 63.889 63.100 -0.162 0.000 0.808 253 P CB 0.231 31.892 31.700 -0.065 0.000 0.779 254 A N -2.246 120.498 122.820 -0.127 0.000 2.348 254 A HA 0.113 4.338 4.320 -0.157 0.000 0.224 254 A C 0.249 177.854 177.584 0.036 0.000 1.227 254 A CA -0.102 51.919 52.037 -0.026 0.000 0.885 254 A CB -0.797 18.269 19.000 0.111 0.000 0.933 254 A HN 0.139 nan 8.150 nan 0.000 0.506 255 H N -1.540 117.605 119.070 0.124 0.000 3.047 255 H HA -0.149 4.312 4.556 -0.158 0.000 0.263 255 H C -0.067 175.341 175.328 0.133 0.000 1.168 255 H CA 1.006 57.121 56.048 0.112 0.000 1.152 255 H CB -2.020 27.797 29.762 0.093 0.000 1.278 255 H HN 0.559 nan 8.280 nan 0.000 0.339 256 I N 1.703 122.406 120.570 0.221 0.000 2.671 256 I HA -0.113 3.962 4.170 -0.157 0.000 0.285 256 I C 1.664 177.909 176.117 0.213 0.000 1.148 256 I CA 0.645 62.075 61.300 0.217 0.000 1.386 256 I CB 0.370 38.519 38.000 0.248 0.000 1.406 256 I HN 0.142 nan 8.210 nan 0.000 0.540 257 N N 3.721 122.510 118.700 0.150 0.000 2.402 257 N HA 0.006 4.652 4.740 -0.157 0.000 0.174 257 N C -0.230 175.350 175.510 0.116 0.000 1.027 257 N CA 0.645 53.776 53.050 0.135 0.000 0.891 257 N CB 0.445 38.977 38.487 0.076 0.000 1.016 257 N HN 0.630 nan 8.380 nan 0.000 0.439 258 D N -1.435 118.932 120.400 -0.056 0.000 2.622 258 D HA 0.315 4.861 4.640 -0.157 0.000 0.255 258 D C -1.765 174.233 176.300 -0.504 0.000 1.246 258 D CA -0.435 53.361 54.000 -0.340 0.000 0.795 258 D CB 1.990 42.699 40.800 -0.151 0.000 1.369 258 D HN -0.242 nan 8.370 nan 0.000 0.425 259 V N 2.363 121.825 119.914 -0.753 0.000 2.443 259 V HA 0.462 4.487 4.120 -0.157 0.000 0.293 259 V C -0.564 175.397 176.094 -0.222 0.000 1.021 259 V CA -0.688 61.354 62.300 -0.431 0.000 0.848 259 V CB 1.278 32.851 31.823 -0.416 0.000 0.998 259 V HN 0.375 nan 8.190 nan 0.000 0.424 260 I N 5.987 126.519 120.570 -0.064 0.000 2.377 260 I HA 0.589 4.665 4.170 -0.157 0.000 0.293 260 I C 0.083 176.295 176.117 0.158 0.000 0.987 260 I CA -0.734 60.601 61.300 0.058 0.000 1.185 260 I CB 1.930 40.003 38.000 0.121 0.000 1.341 260 I HN 0.501 nan 8.210 nan 0.000 0.455 261 V N 2.395 122.398 119.914 0.149 0.000 2.628 261 V HA 0.594 4.620 4.120 -0.157 0.000 0.306 261 V C -0.071 176.067 176.094 0.074 0.000 1.045 261 V CA -0.923 61.462 62.300 0.143 0.000 0.905 261 V CB 1.683 33.540 31.823 0.056 0.000 0.997 261 V HN 0.800 nan 8.190 nan 0.000 0.436 262 E N 2.253 122.389 120.200 -0.107 0.000 2.265 262 E HA 0.524 4.780 4.350 -0.157 0.000 0.272 262 E C 0.463 176.846 176.600 -0.361 0.000 1.067 262 E CA 0.512 56.507 56.400 -0.677 0.000 0.900 262 E CB 1.200 30.459 29.700 -0.735 0.000 1.017 262 E HN 0.979 nan 8.360 nan 0.000 0.431 263 A N 4.250 126.856 122.820 -0.357 0.000 2.113 263 A HA 0.491 4.716 4.320 -0.157 0.000 0.211 263 A C 0.543 177.979 177.584 -0.246 0.000 2.359 263 A CA 0.398 52.300 52.037 -0.224 0.000 1.274 263 A CB -0.359 18.566 19.000 -0.126 0.000 1.160 263 A HN 0.624 nan 8.150 nan 0.000 0.585 264 A N 0.888 123.589 122.820 -0.199 0.000 2.666 264 A HA 0.470 4.696 4.320 -0.157 0.000 0.301 264 A C 0.905 178.360 177.584 -0.214 0.000 1.470 264 A CA -0.411 51.519 52.037 -0.178 0.000 1.159 264 A CB -0.655 18.274 19.000 -0.119 0.000 1.116 264 A HN 0.417 nan 8.150 nan 0.000 0.548 265 I N 1.314 121.736 120.570 -0.247 0.000 2.264 265 I HA -0.135 3.941 4.170 -0.157 0.000 0.248 265 I C 1.391 177.404 176.117 -0.173 0.000 1.111 265 I CA 1.876 63.041 61.300 -0.224 0.000 1.382 265 I CB -1.335 36.513 38.000 -0.253 0.000 1.060 265 I HN 0.708 nan 8.210 nan 0.000 0.418 266 S N -1.384 114.186 115.700 -0.217 0.000 2.607 266 S HA 0.669 5.044 4.470 -0.157 0.000 0.273 266 S C -0.401 174.011 174.600 -0.313 0.000 1.148 266 S CA -0.659 57.367 58.200 -0.290 0.000 0.833 266 S CB 3.019 65.906 63.200 -0.523 0.000 1.130 266 S HN 0.045 nan 8.310 nan 0.000 0.470 267 T N 1.227 115.583 114.554 -0.329 0.000 2.933 267 T HA 0.515 4.771 4.350 -0.157 0.000 0.305 267 T C -0.976 173.570 174.700 -0.256 0.000 1.092 267 T CA -0.525 61.417 62.100 -0.262 0.000 1.008 267 T CB 0.940 69.733 68.868 -0.125 0.000 1.102 267 T HN 0.645 nan 8.240 nan 0.000 0.469 268 I N 3.386 123.803 120.570 -0.255 0.000 2.307 268 I HA 0.311 4.386 4.170 -0.157 0.000 0.289 268 I C -0.209 175.874 176.117 -0.056 0.000 1.021 268 I CA -0.668 60.557 61.300 -0.126 0.000 1.224 268 I CB 0.902 38.777 38.000 -0.207 0.000 1.376 268 I HN 0.372 nan 8.210 nan 0.000 0.470 269 L N 6.040 127.281 121.223 0.030 0.000 2.407 269 L HA 0.152 4.398 4.340 -0.157 0.000 0.282 269 L C 0.117 177.020 176.870 0.054 0.000 1.110 269 L CA -0.072 54.794 54.840 0.042 0.000 0.863 269 L CB -0.070 42.034 42.059 0.074 0.000 1.207 269 L HN 0.531 nan 8.230 nan 0.000 0.454 270 D N 1.854 122.276 120.400 0.037 0.000 2.256 270 D HA 0.154 4.699 4.640 -0.157 0.000 0.250 270 D C 0.195 176.543 176.300 0.079 0.000 1.093 270 D CA -0.350 53.687 54.000 0.060 0.000 0.882 270 D CB 1.563 42.391 40.800 0.046 0.000 1.185 270 D HN 0.502 nan 8.370 nan 0.000 0.437 271 C N 3.274 122.635 119.300 0.102 0.000 3.070 271 C HA 0.194 4.559 4.460 -0.157 0.000 0.280 271 C C 1.420 176.482 174.990 0.119 0.000 1.264 271 C CA -0.412 58.666 59.018 0.100 0.000 1.690 271 C CB -0.508 27.311 27.740 0.132 0.000 2.049 271 C HN 0.662 nan 8.230 nan 0.000 0.636 272 E N 1.463 121.745 120.200 0.136 0.000 3.388 272 E HA -0.019 4.237 4.350 -0.157 0.000 0.402 272 E C 0.729 177.447 176.600 0.198 0.000 0.387 272 E CA 0.187 56.683 56.400 0.160 0.000 2.276 272 E CB -0.026 29.765 29.700 0.152 0.000 2.207 272 E HN 0.110 nan 8.360 nan 0.000 0.469 273 D N 0.341 120.862 120.400 0.202 0.000 2.265 273 D HA -0.116 4.429 4.640 -0.157 0.000 0.208 273 D C 1.633 178.105 176.300 0.286 0.000 0.977 273 D CA 1.299 55.443 54.000 0.239 0.000 0.871 273 D CB -0.089 40.823 40.800 0.187 0.000 0.925 273 D HN 0.153 nan 8.370 nan 0.000 0.485 274 S N -1.170 114.664 115.700 0.223 0.000 2.577 274 S HA 0.209 4.584 4.470 -0.157 0.000 0.219 274 S C 0.484 175.183 174.600 0.165 0.000 0.962 274 S CA -0.541 57.792 58.200 0.222 0.000 0.921 274 S CB 0.558 63.855 63.200 0.160 0.000 0.789 274 S HN -0.106 nan 8.310 nan 0.000 0.497 275 V N 1.283 121.284 119.914 0.145 0.000 2.815 275 V HA 0.814 4.840 4.120 -0.157 0.000 0.314 275 V C -0.374 175.687 176.094 -0.056 0.000 1.064 275 V CA -0.742 61.566 62.300 0.012 0.000 0.952 275 V CB 1.784 33.623 31.823 0.028 0.000 1.020 275 V HN 0.456 nan 8.190 nan 0.000 0.439 276 A N 3.460 126.036 122.820 -0.408 0.000 2.277 276 A HA 0.893 5.119 4.320 -0.157 0.000 0.318 276 A C -0.232 177.021 177.584 -0.552 0.000 1.339 276 A CA -0.098 51.385 52.037 -0.923 0.000 0.875 276 A CB 0.758 18.588 19.000 -1.949 0.000 1.158 276 A HN 1.439 nan 8.150 nan 0.000 0.514 277 A N 2.184 124.799 122.820 -0.343 0.000 2.476 277 A HA 0.564 4.789 4.320 -0.157 0.000 0.280 277 A C 0.079 177.552 177.584 -0.184 0.000 1.081 277 A CA 0.163 52.063 52.037 -0.228 0.000 0.753 277 A CB 0.762 19.668 19.000 -0.157 0.000 1.248 277 A HN 1.880 nan 8.150 nan 0.000 0.424 278 V N -1.100 118.700 119.914 -0.191 0.000 3.432 278 V HA 0.462 4.488 4.120 -0.157 0.000 0.298 278 V C -0.195 175.893 176.094 -0.009 0.000 1.464 278 V CA 0.803 63.032 62.300 -0.118 0.000 1.046 278 V CB -0.541 31.174 31.823 -0.181 0.000 0.887 278 V HN 0.820 nan 8.190 nan 0.000 0.441 279 D N -1.333 119.041 120.400 -0.042 0.000 2.677 279 D HA 0.637 5.183 4.640 -0.157 0.000 0.298 279 D C 1.018 177.295 176.300 -0.037 0.000 1.250 279 D CA 0.074 54.062 54.000 -0.020 0.000 0.888 279 D CB 1.194 41.995 40.800 0.002 0.000 1.397 279 D HN 0.077 nan 8.370 nan 0.000 0.461 280 A N -0.184 122.633 122.820 -0.005 0.000 1.940 280 A HA -0.211 4.014 4.320 -0.157 0.000 0.219 280 A C 1.877 179.489 177.584 0.047 0.000 1.176 280 A CA 2.378 54.435 52.037 0.033 0.000 0.631 280 A CB -1.096 17.959 19.000 0.092 0.000 0.814 280 A HN 0.755 nan 8.150 nan 0.000 0.446 281 E N -0.142 120.066 120.200 0.014 0.000 2.047 281 E HA -0.242 4.014 4.350 -0.157 0.000 0.191 281 E C 1.195 177.747 176.600 -0.080 0.000 0.987 281 E CA 1.400 57.789 56.400 -0.018 0.000 0.799 281 E CB -0.356 29.335 29.700 -0.015 0.000 0.752 281 E HN 0.486 nan 8.360 nan 0.000 0.449 282 D N 1.047 121.387 120.400 -0.101 0.000 2.092 282 D HA -0.158 4.387 4.640 -0.157 0.000 0.193 282 D C 1.866 178.038 176.300 -0.214 0.000 0.994 282 D CA 1.160 55.068 54.000 -0.154 0.000 0.828 282 D CB -0.166 40.536 40.800 -0.164 0.000 0.963 282 D HN 0.134 nan 8.370 nan 0.000 0.450 283 K N 0.489 120.750 120.400 -0.230 0.000 2.209 283 K HA -0.046 4.180 4.320 -0.157 0.000 0.204 283 K C 2.342 178.639 176.600 -0.503 0.000 1.048 283 K CA 0.258 56.278 56.287 -0.446 0.000 0.940 283 K CB -0.362 31.920 32.500 -0.363 0.000 0.729 283 K HN 0.306 nan 8.250 nan 0.000 0.451 284 I N 0.846 121.257 120.570 -0.265 0.000 2.202 284 I HA -0.263 3.813 4.170 -0.157 0.000 0.242 284 I C 2.158 178.005 176.117 -0.449 0.000 1.091 284 I CA 0.892 61.933 61.300 -0.433 0.000 1.368 284 I CB -0.278 37.521 38.000 -0.335 0.000 1.058 284 I HN -0.009 nan 8.210 nan 0.000 0.410 285 L N -0.089 120.970 121.223 -0.274 0.000 2.012 285 L HA -0.258 3.988 4.340 -0.157 0.000 0.210 285 L C 2.557 179.324 176.870 -0.172 0.000 1.073 285 L CA 1.364 56.088 54.840 -0.193 0.000 0.748 285 L CB -0.749 41.218 42.059 -0.152 0.000 0.891 285 L HN 0.253 nan 8.230 nan 0.000 0.431 286 L N -1.366 119.726 121.223 -0.219 0.000 1.970 286 L HA -0.286 3.960 4.340 -0.157 0.000 0.212 286 L C 2.681 179.526 176.870 -0.043 0.000 1.071 286 L CA 1.664 56.399 54.840 -0.176 0.000 0.751 286 L CB -0.390 41.502 42.059 -0.279 0.000 0.889 286 L HN 0.117 nan 8.230 nan 0.000 0.432 287 Y N -0.377 119.887 120.300 -0.059 0.000 2.274 287 Y HA -0.229 4.226 4.550 -0.159 0.000 0.290 287 Y C 2.760 178.706 175.900 0.077 0.000 1.145 287 Y CA 1.290 59.410 58.100 0.032 0.000 1.203 287 Y CB -0.761 37.754 38.460 0.091 0.000 0.984 287 Y HN 0.222 nan 8.280 nan 0.000 0.533 288 R N 0.307 120.862 120.500 0.093 0.000 2.092 288 R HA -0.150 4.095 4.340 -0.157 0.000 0.231 288 R C 1.880 178.233 176.300 0.089 0.000 1.119 288 R CA 1.373 57.558 56.100 0.141 0.000 0.970 288 R CB -0.054 30.266 30.300 0.033 0.000 0.864 288 R HN 0.249 nan 8.270 nan 0.000 0.440 289 N N 0.751 119.477 118.700 0.044 0.000 2.084 289 N HA -0.154 4.491 4.740 -0.157 0.000 0.190 289 N C 1.821 177.363 175.510 0.054 0.000 1.030 289 N CA 1.293 54.362 53.050 0.031 0.000 0.849 289 N CB -0.292 38.200 38.487 0.008 0.000 1.012 289 N HN 0.237 nan 8.380 nan 0.000 0.423 290 L N 0.123 121.403 121.223 0.096 0.000 2.042 290 L HA -0.167 4.078 4.340 -0.157 0.000 0.210 290 L C 2.230 179.127 176.870 0.046 0.000 1.076 290 L CA 0.700 55.596 54.840 0.093 0.000 0.749 290 L CB -0.573 41.573 42.059 0.144 0.000 0.893 290 L HN 0.146 nan 8.230 nan 0.000 0.432 291 L N 0.761 122.011 121.223 0.045 0.000 1.989 291 L HA -0.126 4.119 4.340 -0.157 0.000 0.211 291 L C 2.503 179.321 176.870 -0.087 0.000 1.071 291 L CA 2.284 57.083 54.840 -0.068 0.000 0.749 291 L CB -1.380 40.661 42.059 -0.030 0.000 0.890 291 L HN 0.180 nan 8.230 nan 0.000 0.431 292 G N -0.487 108.297 108.800 -0.027 0.000 2.469 292 G HA2 -0.205 3.661 3.960 -0.157 0.000 0.219 292 G HA3 -0.205 3.661 3.960 -0.157 0.000 0.219 292 G C 1.062 175.954 174.900 -0.013 0.000 1.150 292 G CA 0.813 45.898 45.100 -0.024 0.000 0.763 292 G HN 0.333 nan 8.290 nan 0.000 0.561 296 G N 1.717 110.530 108.800 0.021 0.000 2.162 296 G HA2 -0.372 3.493 3.960 -0.157 0.000 0.260 296 G HA3 -0.372 3.493 3.960 -0.157 0.000 0.260 296 G C 0.859 175.766 174.900 0.010 0.000 0.976 296 G CA 1.421 46.534 45.100 0.023 0.000 0.655 296 G HN 0.491 nan 8.290 nan 0.000 0.533 297 T N -1.990 112.564 114.554 0.000 0.000 3.054 297 T HA 0.403 4.659 4.350 -0.157 0.000 0.259 297 T C 1.375 176.072 174.700 -0.005 0.000 1.092 297 T CA 0.681 62.778 62.100 -0.005 0.000 1.121 297 T CB 0.250 69.109 68.868 -0.014 0.000 0.912 297 T HN 0.937 nan 8.240 nan 0.000 0.489 298 L N 3.140 124.361 121.223 -0.004 0.000 2.640 298 L HA 0.177 4.422 4.340 -0.157 0.000 0.280 298 L C 0.084 176.953 176.870 -0.002 0.000 1.229 298 L CA 0.980 55.819 54.840 -0.002 0.000 0.919 298 L CB -0.035 42.025 42.059 0.003 0.000 1.168 298 L HN 0.716 nan 8.230 nan 0.000 0.496 312 K N 2.217 122.617 120.400 0.001 0.000 2.439 312 K HA 0.514 4.740 4.320 -0.157 0.000 0.260 312 K C -0.589 176.012 176.600 0.001 0.000 1.032 312 K CA -1.016 55.271 56.287 -0.000 0.000 0.882 312 K CB 1.216 33.714 32.500 -0.004 0.000 1.420 312 K HN 0.054 nan 8.250 nan 0.000 0.455 313 L N 2.012 123.235 121.223 -0.000 0.000 2.456 313 L HA 0.117 4.363 4.340 -0.157 0.000 0.272 313 L C -0.022 176.839 176.870 -0.014 0.000 1.189 313 L CA -0.428 54.410 54.840 -0.002 0.000 0.846 313 L CB 0.071 42.130 42.059 -0.001 0.000 1.111 313 L HN 0.561 nan 8.230 nan 0.000 0.475 314 N N 1.558 120.248 118.700 -0.017 0.000 2.467 314 N HA 0.117 4.763 4.740 -0.157 0.000 0.262 314 N C -0.539 174.935 175.510 -0.059 0.000 1.234 314 N CA -0.389 52.642 53.050 -0.033 0.000 0.952 314 N CB 0.559 39.034 38.487 -0.019 0.000 1.158 314 N HN 0.414 nan 8.380 nan 0.000 0.463 315 D N -0.121 120.237 120.400 -0.071 0.000 2.423 315 D HA 0.209 4.755 4.640 -0.157 0.000 0.255 315 D C -0.135 176.081 176.300 -0.140 0.000 1.174 315 D CA -0.103 53.851 54.000 -0.078 0.000 1.008 315 D CB 0.515 41.287 40.800 -0.048 0.000 1.101 315 D HN 0.296 nan 8.370 nan 0.000 0.516 316 D N -0.330 119.975 120.400 -0.158 0.000 2.377 316 D HA 0.237 4.783 4.640 -0.157 0.000 0.245 316 D C 0.063 176.057 176.300 -0.508 0.000 1.196 316 D CA -0.020 53.810 54.000 -0.284 0.000 0.962 316 D CB 0.652 41.307 40.800 -0.242 0.000 1.127 316 D HN 0.082 nan 8.370 nan 0.000 0.471 317 R N 0.537 120.668 120.500 -0.614 0.000 2.445 317 R HA 0.460 4.705 4.340 -0.157 0.000 0.308 317 R C -0.653 175.102 176.300 -0.909 0.000 0.961 317 R CA -0.648 55.003 56.100 -0.748 0.000 0.862 317 R CB 1.116 30.974 30.300 -0.736 0.000 1.144 317 R HN 0.431 nan 8.270 nan 0.000 0.447 318 H N 1.280 119.991 119.070 -0.599 0.000 2.529 318 H HA 0.474 4.936 4.556 -0.157 0.000 0.348 318 H C -0.898 174.033 175.328 -0.662 0.000 1.152 318 H CA -0.331 55.458 56.048 -0.432 0.000 1.202 318 H CB 1.245 30.847 29.762 -0.267 0.000 1.562 318 H HN 0.460 nan 8.280 nan 0.000 0.515 319 Y N -0.857 119.409 120.300 -0.056 0.000 2.728 319 Y HA 0.381 4.837 4.550 -0.157 0.000 0.330 319 Y C -0.250 175.538 175.900 -0.187 0.000 1.234 319 Y CA -1.142 56.872 58.100 -0.143 0.000 1.070 319 Y CB 1.388 39.746 38.460 -0.170 0.000 1.300 319 Y HN 0.452 nan 8.280 nan 0.000 0.467 320 T N 1.728 116.192 114.554 -0.150 0.000 2.767 320 T HA 0.670 4.926 4.350 -0.157 0.000 0.284 320 T C 0.024 174.566 174.700 -0.263 0.000 0.973 320 T CA -0.603 61.311 62.100 -0.309 0.000 0.996 320 T CB 0.665 69.111 68.868 -0.704 0.000 0.927 320 T HN 0.762 nan 8.240 nan 0.000 0.456 321 A N 2.553 125.309 122.820 -0.106 0.000 2.386 321 A HA 0.619 4.844 4.320 -0.157 0.000 0.246 321 A C 1.821 179.414 177.584 0.014 0.000 1.089 321 A CA 0.083 52.075 52.037 -0.075 0.000 0.790 321 A CB -0.290 18.689 19.000 -0.035 0.000 1.042 321 A HN 1.027 nan 8.150 nan 0.000 0.497 322 A N 0.748 123.513 122.820 -0.092 0.000 1.927 322 A HA -0.207 4.019 4.320 -0.157 0.000 0.220 322 A C 1.413 179.127 177.584 0.216 0.000 1.185 322 A CA 2.265 54.326 52.037 0.041 0.000 0.639 322 A CB -0.758 18.115 19.000 -0.211 0.000 0.820 322 A HN 0.964 nan 8.150 nan 0.000 0.451 323 D N -2.180 118.287 120.400 0.112 0.000 2.323 323 D HA 0.308 4.853 4.640 -0.157 0.000 0.239 323 D C 1.101 177.470 176.300 0.114 0.000 1.129 323 D CA 0.997 55.065 54.000 0.114 0.000 0.865 323 D CB -0.570 40.271 40.800 0.070 0.000 0.913 323 D HN 0.839 nan 8.370 nan 0.000 0.517 324 G N -0.238 108.647 108.800 0.142 0.000 2.234 324 G HA2 -0.298 3.567 3.960 -0.157 0.000 0.235 324 G HA3 -0.298 3.567 3.960 -0.157 0.000 0.235 324 G C 0.567 175.491 174.900 0.040 0.000 0.997 324 G CA 0.295 45.459 45.100 0.107 0.000 0.623 324 G HN 0.707 nan 8.290 nan 0.000 0.514 325 S N 0.188 115.904 115.700 0.027 0.000 2.634 325 S HA 0.649 5.025 4.470 -0.157 0.000 0.261 325 S C 0.288 174.881 174.600 -0.012 0.000 1.271 325 S CA 0.635 58.840 58.200 0.008 0.000 0.985 325 S CB 1.156 64.364 63.200 0.013 0.000 0.968 325 S HN 1.711 nan 8.310 nan 0.000 0.568 326 E N 0.485 120.682 120.200 -0.005 0.000 2.167 326 E HA 0.600 4.856 4.350 -0.157 0.000 0.284 326 E C -0.099 176.520 176.600 0.031 0.000 1.016 326 E CA -0.917 55.483 56.400 -0.000 0.000 0.817 326 E CB 0.070 29.765 29.700 -0.008 0.000 1.080 326 E HN 0.764 nan 8.360 nan 0.000 0.397 327 I N -2.679 117.926 120.570 0.059 0.000 2.892 327 I HA 0.951 5.027 4.170 -0.157 0.000 0.306 327 I C -0.022 176.180 176.117 0.142 0.000 1.078 327 I CA -0.894 60.456 61.300 0.083 0.000 1.032 327 I CB 2.179 40.207 38.000 0.047 0.000 1.229 327 I HN 0.565 nan 8.210 nan 0.000 0.435 328 S N 4.979 120.740 115.700 0.103 0.000 2.548 328 S HA 0.848 5.224 4.470 -0.157 0.000 0.286 328 S C -0.916 173.683 174.600 -0.002 0.000 1.098 328 S CA -0.847 57.347 58.200 -0.011 0.000 0.930 328 S CB 1.664 64.853 63.200 -0.018 0.000 1.070 328 S HN 0.640 nan 8.310 nan 0.000 0.480 329 L N 2.427 123.623 121.223 -0.044 0.000 2.365 329 L HA 0.405 4.650 4.340 -0.157 0.000 0.273 329 L C -0.418 176.522 176.870 0.117 0.000 1.000 329 L CA -1.109 53.776 54.840 0.074 0.000 0.819 329 L CB 1.965 44.087 42.059 0.106 0.000 1.284 329 L HN 0.880 nan 8.230 nan 0.000 0.418 330 H N 1.287 120.430 119.070 0.122 0.000 3.125 330 H HA -0.008 4.453 4.556 -0.157 0.000 0.310 330 H C 1.080 176.571 175.328 0.272 0.000 0.980 330 H CA 1.046 57.176 56.048 0.136 0.000 1.422 330 H CB 1.359 31.193 29.762 0.119 0.000 1.432 330 H HN 0.706 nan 8.280 nan 0.000 0.577 331 G N 4.683 113.383 108.800 -0.168 0.000 2.551 331 G HA2 -0.026 3.839 3.960 -0.157 0.000 0.216 331 G HA3 -0.026 3.839 3.960 -0.157 0.000 0.216 331 G C 0.353 175.294 174.900 0.068 0.000 1.137 331 G CA -0.022 45.065 45.100 -0.021 0.000 0.798 331 G HN 0.494 nan 8.290 nan 0.000 0.536 332 R N -0.295 120.108 120.500 -0.162 0.000 2.873 332 R HA 0.547 4.792 4.340 -0.157 0.000 0.264 332 R C -0.137 176.219 176.300 0.093 0.000 1.026 332 R CA -0.501 55.584 56.100 -0.025 0.000 1.002 332 R CB 1.524 31.785 30.300 -0.065 0.000 1.174 332 R HN 0.087 nan 8.270 nan 0.000 0.488 333 S N 1.023 116.754 115.700 0.053 0.000 2.572 333 S HA 0.094 4.470 4.470 -0.157 0.000 0.279 333 S C -0.106 174.548 174.600 0.090 0.000 1.341 333 S CA -0.661 57.554 58.200 0.025 0.000 1.043 333 S CB 0.402 63.576 63.200 -0.044 0.000 0.887 333 S HN 0.399 nan 8.310 nan 0.000 0.516 334 L N 5.766 127.024 121.223 0.059 0.000 2.500 334 L HA 0.327 4.573 4.340 -0.157 0.000 0.272 334 L C -0.660 176.272 176.870 0.103 0.000 1.149 334 L CA 0.491 55.387 54.840 0.093 0.000 0.897 334 L CB -0.279 41.809 42.059 0.048 0.000 1.178 334 L HN 0.618 nan 8.230 nan 0.000 0.473 335 L N 6.207 127.547 121.223 0.194 0.000 2.290 335 L HA 0.365 4.611 4.340 -0.157 0.000 0.284 335 L C -0.504 176.628 176.870 0.436 0.000 1.078 335 L CA -0.302 54.669 54.840 0.218 0.000 0.815 335 L CB 0.281 42.440 42.059 0.167 0.000 1.162 335 L HN 0.411 nan 8.230 nan 0.000 0.435 336 F N 3.392 123.352 119.950 0.016 0.000 2.575 336 F HA 0.606 5.035 4.527 -0.164 0.000 0.330 336 F C 0.225 176.047 175.800 0.036 0.000 1.056 336 F CA -1.386 56.637 58.000 0.039 0.000 0.964 336 F CB 1.706 40.702 39.000 -0.006 0.000 1.258 336 F HN 0.101 nan 8.300 nan 0.000 0.484 337 I N 1.572 122.288 120.570 0.243 0.000 2.466 337 I HA 0.337 4.413 4.170 -0.157 0.000 0.289 337 I C -0.210 175.991 176.117 0.140 0.000 1.026 337 I CA -0.656 60.737 61.300 0.154 0.000 1.078 337 I CB 1.768 39.834 38.000 0.111 0.000 1.249 337 I HN 0.502 nan 8.210 nan 0.000 0.429 338 R N 4.678 125.260 120.500 0.137 0.000 2.230 338 R HA 0.318 4.564 4.340 -0.157 0.000 0.337 338 R C -0.337 176.049 176.300 0.143 0.000 1.063 338 R CA -0.422 55.765 56.100 0.145 0.000 0.935 338 R CB 0.383 30.778 30.300 0.159 0.000 1.121 338 R HN 0.515 nan 8.270 nan 0.000 0.486 339 N N 1.628 120.415 118.700 0.145 0.000 2.408 339 N HA 0.084 4.729 4.740 -0.157 0.000 0.260 339 N C -0.060 175.535 175.510 0.140 0.000 1.242 339 N CA -0.432 52.709 53.050 0.153 0.000 0.959 339 N CB 0.942 39.526 38.487 0.161 0.000 1.201 339 N HN 0.370 nan 8.380 nan 0.000 0.511 340 V N -1.741 118.256 119.914 0.138 0.000 3.133 340 V HA 0.682 4.707 4.120 -0.157 0.000 0.305 340 V C 1.055 177.195 176.094 0.077 0.000 1.084 340 V CA -0.518 61.845 62.300 0.105 0.000 1.089 340 V CB 0.227 32.112 31.823 0.103 0.000 1.073 340 V HN 0.572 nan 8.190 nan 0.000 0.477 341 G N -0.203 108.607 108.800 0.016 0.000 2.510 341 G HA2 0.301 4.166 3.960 -0.157 0.000 0.280 341 G HA3 0.301 4.166 3.960 -0.157 0.000 0.280 341 G C 0.437 175.368 174.900 0.053 0.000 1.386 341 G CA -0.203 44.868 45.100 -0.048 0.000 1.047 341 G HN 0.907 nan 8.290 nan 0.000 0.527 342 H N -1.253 117.850 119.070 0.056 0.000 2.521 342 H HA 0.037 4.499 4.556 -0.156 0.000 0.286 342 H C 1.429 176.748 175.328 -0.015 0.000 1.034 342 H CA -0.117 55.967 56.048 0.061 0.000 1.278 342 H CB -0.344 29.464 29.762 0.076 0.000 1.386 342 H HN 0.128 nan 8.280 nan 0.000 0.567 346 I N 1.348 121.834 120.570 -0.141 0.000 2.722 346 I HA 0.603 4.679 4.170 -0.157 0.000 0.295 346 I C -2.666 173.225 176.117 -0.376 0.000 1.161 346 I CA -2.872 58.334 61.300 -0.158 0.000 1.032 346 I CB 3.055 41.005 38.000 -0.084 0.000 1.244 346 I HN 0.504 nan 8.210 nan 0.000 0.421 347 P HA 0.152 nan 4.420 nan 0.000 0.231 347 P C -0.208 176.756 177.300 -0.561 0.000 1.811 347 P CA 0.178 62.936 63.100 -0.571 0.000 1.051 347 P CB 0.654 32.387 31.700 0.054 0.000 1.951 348 V N 2.044 121.478 119.914 -0.801 0.000 3.165 348 V HA 0.267 4.293 4.120 -0.157 0.000 0.231 348 V C 0.864 176.624 176.094 -0.555 0.000 1.365 348 V CA 0.580 62.572 62.300 -0.514 0.000 1.286 348 V CB 0.432 31.928 31.823 -0.546 0.000 1.081 348 V HN 0.183 nan 8.190 nan 0.000 0.477 349 I N -0.163 119.952 120.570 -0.759 0.000 2.582 349 I HA 0.373 4.448 4.170 -0.157 0.000 0.292 349 I C -1.372 174.371 176.117 -0.623 0.000 1.066 349 I CA -0.402 60.626 61.300 -0.454 0.000 1.053 349 I CB 2.337 40.146 38.000 -0.318 0.000 1.241 349 I HN 0.161 nan 8.210 nan 0.000 0.421 350 W N 4.231 125.491 121.300 -0.067 0.000 2.573 350 W HA 0.268 4.835 4.660 -0.156 0.000 0.326 350 W C -0.277 176.218 176.519 -0.040 0.000 1.049 350 W CA -0.593 56.726 57.345 -0.044 0.000 1.220 350 W CB 1.996 31.437 29.460 -0.033 0.000 1.373 350 W HN 0.523 nan 8.180 nan 0.000 0.507 351 D N -0.346 120.150 120.400 0.159 0.000 2.440 351 D HA 0.078 4.624 4.640 -0.157 0.000 0.269 351 D C 1.213 177.584 176.300 0.119 0.000 1.249 351 D CA -0.314 53.748 54.000 0.105 0.000 1.055 351 D CB -0.062 40.781 40.800 0.072 0.000 1.104 351 D HN 0.179 nan 8.370 nan 0.000 0.561 352 S N -0.477 115.291 115.700 0.113 0.000 2.380 352 S HA -0.216 4.160 4.470 -0.157 0.000 0.229 352 S C 1.217 175.873 174.600 0.092 0.000 1.043 352 S CA 1.364 59.631 58.200 0.112 0.000 1.038 352 S CB -0.455 62.853 63.200 0.180 0.000 0.872 352 S HN 0.605 nan 8.310 nan 0.000 0.456 353 E N 0.395 120.649 120.200 0.090 0.000 2.474 353 E HA 0.267 4.523 4.350 -0.157 0.000 0.195 353 E C 1.327 177.973 176.600 0.077 0.000 1.039 353 E CA 0.565 57.007 56.400 0.070 0.000 0.881 353 E CB 0.008 29.740 29.700 0.052 0.000 0.970 353 E HN 0.645 nan 8.360 nan 0.000 0.486 354 G N 1.755 110.623 108.800 0.112 0.000 2.141 354 G HA2 -0.259 3.607 3.960 -0.157 0.000 0.242 354 G HA3 -0.259 3.607 3.960 -0.157 0.000 0.242 354 G C 0.000 175.049 174.900 0.248 0.000 0.982 354 G CA 0.067 45.259 45.100 0.154 0.000 0.662 354 G HN 0.317 nan 8.290 nan 0.000 0.527 355 N N 0.798 119.604 118.700 0.178 0.000 2.508 355 N HA 0.495 5.140 4.740 -0.157 0.000 0.285 355 N C 0.169 175.721 175.510 0.071 0.000 1.144 355 N CA -0.567 52.571 53.050 0.147 0.000 0.978 355 N CB 0.748 39.268 38.487 0.056 0.000 1.180 355 N HN 0.437 nan 8.380 nan 0.000 0.484 356 E N 0.729 120.888 120.200 -0.069 0.000 2.418 356 E HA 0.022 4.278 4.350 -0.157 0.000 0.261 356 E C -0.070 176.370 176.600 -0.266 0.000 1.070 356 E CA -0.058 56.075 56.400 -0.446 0.000 0.931 356 E CB 1.090 30.554 29.700 -0.394 0.000 0.954 356 E HN 0.428 nan 8.360 nan 0.000 0.439 357 I N 2.761 123.131 120.570 -0.333 0.000 2.696 357 I HA 0.070 4.146 4.170 -0.157 0.000 0.284 357 I C -2.197 173.865 176.117 -0.093 0.000 1.129 357 I CA -2.046 59.153 61.300 -0.169 0.000 1.410 357 I CB 0.869 38.754 38.000 -0.190 0.000 1.399 357 I HN 0.223 nan 8.210 nan 0.000 0.579 358 P HA 0.064 nan 4.420 nan 0.000 0.276 358 P C -0.027 177.313 177.300 0.067 0.000 1.243 358 P CA 0.060 63.180 63.100 0.033 0.000 0.768 358 P CB 0.758 32.509 31.700 0.086 0.000 0.856 359 E N 3.142 123.374 120.200 0.053 0.000 2.118 359 E HA -0.181 4.075 4.350 -0.157 0.000 0.195 359 E C 1.924 178.613 176.600 0.147 0.000 0.992 359 E CA 1.681 58.132 56.400 0.084 0.000 0.804 359 E CB -0.552 29.186 29.700 0.063 0.000 0.741 359 E HN 0.624 nan 8.360 nan 0.000 0.458 360 G N 0.816 109.714 108.800 0.165 0.000 2.443 360 G HA2 -0.178 3.687 3.960 -0.157 0.000 0.219 360 G HA3 -0.178 3.687 3.960 -0.157 0.000 0.219 360 G C 1.538 176.567 174.900 0.215 0.000 1.131 360 G CA 0.511 45.734 45.100 0.204 0.000 0.775 360 G HN 0.243 nan 8.290 nan 0.000 0.547 361 I N -0.179 120.517 120.570 0.211 0.000 2.286 361 I HA -0.046 4.030 4.170 -0.157 0.000 0.245 361 I C 2.507 178.760 176.117 0.226 0.000 1.104 361 I CA 0.320 61.742 61.300 0.203 0.000 1.397 361 I CB -0.109 38.017 38.000 0.210 0.000 1.072 361 I HN 0.155 nan 8.210 nan 0.000 0.417 362 L N 1.033 122.413 121.223 0.262 0.000 2.046 362 L HA -0.247 3.999 4.340 -0.157 0.000 0.208 362 L C 1.890 178.915 176.870 0.259 0.000 1.077 362 L CA 2.062 57.112 54.840 0.350 0.000 0.747 362 L CB -0.741 41.484 42.059 0.277 0.000 0.896 362 L HN 0.136 nan 8.230 nan 0.000 0.432 363 D N -0.490 120.055 120.400 0.243 0.000 2.104 363 D HA -0.140 4.405 4.640 -0.157 0.000 0.194 363 D C 2.122 178.471 176.300 0.082 0.000 0.994 363 D CA 1.517 55.650 54.000 0.222 0.000 0.830 363 D CB -0.608 40.331 40.800 0.232 0.000 0.959 363 D HN 0.487 nan 8.370 nan 0.000 0.452 364 G N 0.464 109.308 108.800 0.073 0.000 2.421 364 G HA2 -0.134 3.732 3.960 -0.157 0.000 0.216 364 G HA3 -0.134 3.732 3.960 -0.157 0.000 0.216 364 G C 1.013 175.842 174.900 -0.118 0.000 1.171 364 G CA 0.537 45.623 45.100 -0.024 0.000 0.775 364 G HN 0.194 nan 8.290 nan 0.000 0.543 368 G N 1.480 110.181 108.800 -0.165 0.000 2.421 368 G HA2 0.073 3.939 3.960 -0.157 0.000 0.216 368 G HA3 0.073 3.939 3.960 -0.157 0.000 0.216 368 G C 1.724 176.556 174.900 -0.113 0.000 1.171 368 G CA 1.418 46.422 45.100 -0.161 0.000 0.775 368 G HN 0.664 nan 8.290 nan 0.000 0.543 369 A N 0.732 123.482 122.820 -0.116 0.000 1.883 369 A HA -0.007 4.218 4.320 -0.157 0.000 0.217 369 A C 2.407 179.975 177.584 -0.026 0.000 1.186 369 A CA 1.471 53.441 52.037 -0.113 0.000 0.624 369 A CB -0.413 18.469 19.000 -0.195 0.000 0.822 369 A HN 0.365 nan 8.150 nan 0.000 0.444 370 I N -0.361 120.180 120.570 -0.049 0.000 2.315 370 I HA -0.219 3.857 4.170 -0.157 0.000 0.248 370 I C 2.743 178.926 176.117 0.110 0.000 1.117 370 I CA 1.002 62.302 61.300 -0.000 0.000 1.404 370 I CB -0.108 37.856 38.000 -0.059 0.000 1.071 370 I HN 0.335 nan 8.210 nan 0.000 0.419 371 A N 0.213 123.056 122.820 0.038 0.000 2.168 371 A HA -0.042 4.184 4.320 -0.157 0.000 0.215 371 A C 2.189 179.800 177.584 0.045 0.000 1.152 371 A CA 0.761 52.819 52.037 0.035 0.000 0.716 371 A CB -0.664 18.313 19.000 -0.038 0.000 0.794 371 A HN 0.393 nan 8.150 nan 0.000 0.465 372 L N -1.779 119.466 121.223 0.037 0.000 2.187 372 L HA -0.231 4.014 4.340 -0.157 0.000 0.213 372 L C 2.335 179.134 176.870 -0.119 0.000 1.100 372 L CA 1.152 55.947 54.840 -0.074 0.000 0.765 372 L CB -0.628 41.335 42.059 -0.161 0.000 0.904 372 L HN 0.477 nan 8.230 nan 0.000 0.437 373 Y N -0.144 120.112 120.300 -0.074 0.000 2.114 373 Y HA -0.312 4.143 4.550 -0.158 0.000 0.284 373 Y C 2.450 178.330 175.900 -0.034 0.000 1.143 373 Y CA 1.811 59.879 58.100 -0.054 0.000 1.135 373 Y CB -0.612 37.818 38.460 -0.049 0.000 0.980 373 Y HN 0.196 nan 8.280 nan 0.000 0.499 374 D N -0.087 120.398 120.400 0.141 0.000 2.218 374 D HA -0.151 4.394 4.640 -0.157 0.000 0.204 374 D C 1.748 178.064 176.300 0.026 0.000 0.976 374 D CA 0.899 54.947 54.000 0.080 0.000 0.853 374 D CB -0.265 40.582 40.800 0.078 0.000 0.939 374 D HN 0.274 nan 8.370 nan 0.000 0.481 375 L N -0.638 120.578 121.223 -0.012 0.000 2.362 375 L HA -0.024 4.222 4.340 -0.157 0.000 0.219 375 L C 2.705 179.549 176.870 -0.042 0.000 1.134 375 L CA 1.376 56.193 54.840 -0.039 0.000 0.807 375 L CB -0.399 41.618 42.059 -0.070 0.000 0.927 375 L HN 0.085 nan 8.230 nan 0.000 0.447 376 K N -0.044 120.326 120.400 -0.050 0.000 2.067 376 K HA 0.187 4.412 4.320 -0.157 0.000 0.203 376 K C 2.111 178.700 176.600 -0.017 0.000 1.048 376 K CA 1.312 57.566 56.287 -0.055 0.000 0.954 376 K CB -1.435 31.004 32.500 -0.101 0.000 0.737 376 K HN 0.177 nan 8.250 nan 0.000 0.444 377 V N 0.339 120.259 119.914 0.010 0.000 2.323 377 V HA -0.091 3.935 4.120 -0.157 0.000 0.244 377 V C 1.165 177.286 176.094 0.045 0.000 1.041 377 V CA 2.254 64.575 62.300 0.035 0.000 1.025 377 V CB -0.792 31.067 31.823 0.060 0.000 0.656 377 V HN 0.662 nan 8.190 nan 0.000 0.451 378 Q N -0.561 119.270 119.800 0.052 0.000 2.470 378 Q HA -0.203 4.042 4.340 -0.157 0.000 0.294 378 Q C 0.893 176.956 176.000 0.105 0.000 1.356 378 Q CA 0.709 56.550 55.803 0.063 0.000 0.805 378 Q CB -2.102 26.661 28.738 0.043 0.000 1.157 378 Q HN 0.620 nan 8.270 nan 0.000 0.431 379 K N -0.672 119.803 120.400 0.126 0.000 2.314 379 K HA 0.046 4.271 4.320 -0.157 0.000 0.198 379 K C 1.185 177.947 176.600 0.269 0.000 1.045 379 K CA 1.215 57.605 56.287 0.172 0.000 0.988 379 K CB 0.104 32.670 32.500 0.110 0.000 0.783 379 K HN 0.507 nan 8.250 nan 0.000 0.484 380 N N -0.036 118.786 118.700 0.203 0.000 2.531 380 N HA 0.076 4.721 4.740 -0.157 0.000 0.223 380 N C 0.423 176.008 175.510 0.125 0.000 1.023 380 N CA 0.716 53.899 53.050 0.221 0.000 1.124 380 N CB 0.248 38.845 38.487 0.184 0.000 1.427 380 N HN 0.108 nan 8.380 nan 0.000 0.558 381 S N -0.725 115.048 115.700 0.121 0.000 2.562 381 S HA 0.367 4.742 4.470 -0.157 0.000 0.275 381 S C 0.375 174.999 174.600 0.041 0.000 1.281 381 S CA -0.379 57.885 58.200 0.107 0.000 1.045 381 S CB 0.791 64.074 63.200 0.139 0.000 0.962 381 S HN 0.329 nan 8.310 nan 0.000 0.503 382 R N 1.264 121.770 120.500 0.009 0.000 2.397 382 R HA 0.187 4.433 4.340 -0.157 0.000 0.241 382 R C 1.506 177.812 176.300 0.011 0.000 0.914 382 R CA 0.691 56.794 56.100 0.005 0.000 1.071 382 R CB 0.275 30.566 30.300 -0.014 0.000 1.116 382 R HN 0.754 nan 8.270 nan 0.000 0.524 383 T N -3.920 110.645 114.554 0.019 0.000 3.054 383 T HA 0.268 4.524 4.350 -0.157 0.000 0.255 383 T C 1.253 175.940 174.700 -0.020 0.000 1.035 383 T CA 0.207 62.313 62.100 0.009 0.000 0.941 383 T CB 0.821 69.709 68.868 0.034 0.000 1.026 383 T HN 0.209 nan 8.240 nan 0.000 0.533 384 G N 0.843 109.625 108.800 -0.031 0.000 2.160 384 G HA2 -0.218 3.648 3.960 -0.157 0.000 0.244 384 G HA3 -0.218 3.648 3.960 -0.157 0.000 0.244 384 G C 0.041 174.864 174.900 -0.127 0.000 1.022 384 G CA 0.103 45.165 45.100 -0.064 0.000 0.741 384 G HN 0.682 nan 8.290 nan 0.000 0.508 385 S N -1.568 114.021 115.700 -0.185 0.000 2.638 385 S HA 0.803 5.178 4.470 -0.157 0.000 0.298 385 S C 0.088 174.385 174.600 -0.505 0.000 1.111 385 S CA -0.500 57.445 58.200 -0.425 0.000 1.027 385 S CB 2.590 65.360 63.200 -0.717 0.000 1.064 385 S HN 0.727 nan 8.310 nan 0.000 0.525 386 V N 2.259 121.804 119.914 -0.614 0.000 2.656 386 V HA 0.464 4.489 4.120 -0.157 0.000 0.307 386 V C -1.763 173.972 176.094 -0.599 0.000 1.051 386 V CA -0.667 61.375 62.300 -0.430 0.000 0.893 386 V CB 1.412 33.073 31.823 -0.270 0.000 0.999 386 V HN 0.858 nan 8.190 nan 0.000 0.426 387 Y N 4.435 124.579 120.300 -0.260 0.000 2.345 387 Y HA 0.660 5.116 4.550 -0.157 0.000 0.331 387 Y C -0.008 175.714 175.900 -0.296 0.000 0.959 387 Y CA -0.509 57.339 58.100 -0.419 0.000 1.204 387 Y CB 1.511 39.415 38.460 -0.928 0.000 1.135 387 Y HN 0.422 nan 8.280 nan 0.000 0.477 388 I N 3.997 124.508 120.570 -0.098 0.000 2.433 388 I HA 0.377 4.453 4.170 -0.157 0.000 0.292 388 I C -0.735 175.406 176.117 0.039 0.000 1.001 388 I CA -1.135 60.155 61.300 -0.015 0.000 1.119 388 I CB 1.693 39.644 38.000 -0.082 0.000 1.289 388 I HN 0.244 nan 8.210 nan 0.000 0.438 389 V N 6.827 126.767 119.914 0.043 0.000 2.461 389 V HA 0.263 4.289 4.120 -0.157 0.000 0.275 389 V C 0.150 176.316 176.094 0.121 0.000 1.047 389 V CA -0.594 61.715 62.300 0.016 0.000 0.955 389 V CB 0.983 32.836 31.823 0.049 0.000 0.988 389 V HN 0.514 nan 8.190 nan 0.000 0.471 390 K N 6.753 127.220 120.400 0.112 0.000 2.316 390 K HA 0.493 4.719 4.320 -0.157 0.000 0.267 390 K C -2.541 174.106 176.600 0.078 0.000 1.025 390 K CA -1.668 54.671 56.287 0.086 0.000 0.896 390 K CB 2.107 34.617 32.500 0.016 0.000 1.124 390 K HN 0.426 nan 8.250 nan 0.000 0.451 391 P HA 0.349 nan 4.420 nan 0.000 0.283 391 P C -0.637 176.673 177.300 0.016 0.000 1.278 391 P CA -0.544 62.610 63.100 0.090 0.000 0.834 391 P CB 1.037 32.811 31.700 0.124 0.000 1.150 395 G N 3.208 112.034 108.800 0.043 0.000 2.746 395 G HA2 -0.198 3.667 3.960 -0.157 0.000 0.685 395 G HA3 -0.198 3.667 3.960 -0.157 0.000 0.685 395 G C -2.195 172.724 174.900 0.031 0.000 1.350 395 G CA -0.472 44.628 45.100 -0.001 0.000 0.837 395 G HN 0.341 nan 8.290 nan 0.000 0.564 396 P HA -0.070 nan 4.420 nan 0.000 0.217 396 P C 1.639 178.961 177.300 0.037 0.000 1.151 396 P CA 1.711 64.821 63.100 0.018 0.000 0.828 396 P CB 0.013 31.712 31.700 -0.002 0.000 0.788 397 Q N 0.331 120.148 119.800 0.028 0.000 2.124 397 Q HA -0.148 4.098 4.340 -0.157 0.000 0.202 397 Q C 2.153 178.205 176.000 0.086 0.000 0.977 397 Q CA 1.382 57.208 55.803 0.038 0.000 0.850 397 Q CB -0.762 27.978 28.738 0.003 0.000 0.901 397 Q HN 0.436 nan 8.270 nan 0.000 0.429 398 E N -0.026 120.240 120.200 0.111 0.000 2.152 398 E HA -0.109 4.147 4.350 -0.157 0.000 0.192 398 E C 1.976 178.768 176.600 0.319 0.000 0.983 398 E CA 1.165 57.702 56.400 0.228 0.000 0.818 398 E CB 0.082 29.957 29.700 0.293 0.000 0.758 398 E HN 0.188 nan 8.360 nan 0.000 0.467 399 V N 1.579 121.594 119.914 0.169 0.000 2.358 399 V HA -0.218 3.808 4.120 -0.157 0.000 0.246 399 V C 2.437 178.564 176.094 0.057 0.000 1.047 399 V CA 1.684 64.042 62.300 0.097 0.000 1.035 399 V CB -0.728 31.119 31.823 0.040 0.000 0.658 399 V HN 0.261 nan 8.190 nan 0.000 0.452 400 A N -0.143 122.719 122.820 0.069 0.000 1.940 400 A HA -0.277 3.949 4.320 -0.157 0.000 0.219 400 A C 2.113 179.727 177.584 0.050 0.000 1.176 400 A CA 2.159 54.221 52.037 0.042 0.000 0.631 400 A CB -0.775 18.256 19.000 0.052 0.000 0.814 400 A HN 0.522 nan 8.150 nan 0.000 0.446 401 F N 1.029 120.960 119.950 -0.033 0.000 2.095 401 F HA -0.149 4.282 4.527 -0.159 0.000 0.298 401 F C 2.543 178.318 175.800 -0.042 0.000 1.104 401 F CA 1.350 59.313 58.000 -0.061 0.000 1.232 401 F CB -0.584 38.325 39.000 -0.152 0.000 0.987 401 F HN 0.253 nan 8.300 nan 0.000 0.475 402 A N -0.023 122.765 122.820 -0.053 0.000 1.902 402 A HA -0.270 3.956 4.320 -0.157 0.000 0.217 402 A C 2.027 179.294 177.584 -0.528 0.000 1.181 402 A CA 1.977 53.845 52.037 -0.281 0.000 0.623 402 A CB -1.325 17.503 19.000 -0.288 0.000 0.818 402 A HN 0.585 nan 8.150 nan 0.000 0.443 403 N N -0.380 118.106 118.700 -0.356 0.000 2.069 403 N HA -0.211 4.435 4.740 -0.157 0.000 0.191 403 N C 1.796 177.220 175.510 -0.143 0.000 1.031 403 N CA 2.107 55.008 53.050 -0.249 0.000 0.852 403 N CB -0.216 38.196 38.487 -0.125 0.000 1.018 403 N HN 0.528 nan 8.380 nan 0.000 0.423 404 K N -0.194 120.106 120.400 -0.167 0.000 1.985 404 K HA -0.167 4.058 4.320 -0.157 0.000 0.210 404 K C 1.993 178.502 176.600 -0.153 0.000 1.047 404 K CA 1.379 57.580 56.287 -0.144 0.000 0.932 404 K CB -0.442 31.950 32.500 -0.180 0.000 0.716 404 K HN 0.216 nan 8.250 nan 0.000 0.439 405 L N 0.830 121.878 121.223 -0.292 0.000 2.013 405 L HA -0.209 4.036 4.340 -0.157 0.000 0.212 405 L C 2.061 178.983 176.870 0.087 0.000 1.073 405 L CA 1.860 56.600 54.840 -0.168 0.000 0.753 405 L CB -0.723 41.204 42.059 -0.219 0.000 0.890 405 L HN 0.116 nan 8.230 nan 0.000 0.432 406 F N 0.039 119.903 119.950 -0.142 0.000 2.171 406 F HA -0.139 4.293 4.527 -0.159 0.000 0.300 406 F C 2.559 178.300 175.800 -0.098 0.000 1.090 406 F CA 1.513 59.449 58.000 -0.106 0.000 1.293 406 F CB -1.679 37.268 39.000 -0.087 0.000 1.013 406 F HN 0.108 nan 8.300 nan 0.000 0.486 407 T N 0.173 114.789 114.554 0.104 0.000 2.720 407 T HA -0.172 4.084 4.350 -0.157 0.000 0.268 407 T C 2.212 176.909 174.700 -0.005 0.000 1.037 407 T CA 1.153 63.270 62.100 0.030 0.000 1.144 407 T CB -0.106 68.766 68.868 0.005 0.000 0.864 407 T HN 0.097 nan 8.240 nan 0.000 0.444 408 R N 0.554 121.045 120.500 -0.015 0.000 2.092 408 R HA 0.103 4.349 4.340 -0.157 0.000 0.231 408 R C 2.430 178.696 176.300 -0.057 0.000 1.119 408 R CA 0.912 56.992 56.100 -0.033 0.000 0.970 408 R CB -0.752 29.528 30.300 -0.035 0.000 0.864 408 R HN 0.453 nan 8.270 nan 0.000 0.440 409 I N 0.890 121.422 120.570 -0.063 0.000 2.252 409 I HA -0.220 3.855 4.170 -0.157 0.000 0.245 409 I C 2.075 178.127 176.117 -0.108 0.000 1.102 409 I CA 1.280 62.511 61.300 -0.114 0.000 1.385 409 I CB -0.259 37.651 38.000 -0.150 0.000 1.064 409 I HN 0.156 nan 8.210 nan 0.000 0.414 410 E N 0.178 120.325 120.200 -0.088 0.000 2.085 410 E HA -0.125 4.131 4.350 -0.157 0.000 0.194 410 E C 1.032 177.590 176.600 -0.069 0.000 0.994 410 E CA 1.108 57.456 56.400 -0.085 0.000 0.801 410 E CB -0.139 29.520 29.700 -0.068 0.000 0.743 410 E HN 0.433 nan 8.360 nan 0.000 0.453 417 P HA 0.364 nan 4.420 nan 0.000 0.271 417 P C 0.086 177.365 177.300 -0.035 0.000 1.216 417 P CA 0.561 63.641 63.100 -0.034 0.000 0.776 417 P CB 0.091 31.777 31.700 -0.022 0.000 0.881 418 N N -0.960 117.724 118.700 -0.028 0.000 2.925 418 N HA -0.157 4.488 4.740 -0.157 0.000 0.244 418 N C 0.598 176.066 175.510 -0.070 0.000 1.000 418 N CA 0.949 53.983 53.050 -0.026 0.000 0.895 418 N CB -1.947 36.529 38.487 -0.017 0.000 1.119 418 N HN 0.389 nan 8.380 nan 0.000 0.569 419 T N 0.439 114.936 114.554 -0.095 0.000 2.833 419 T HA -0.040 4.216 4.350 -0.157 0.000 0.269 419 T C 0.786 175.355 174.700 -0.218 0.000 1.054 419 T CA 0.717 62.728 62.100 -0.149 0.000 1.135 419 T CB 0.087 68.872 68.868 -0.138 0.000 0.869 419 T HN 0.245 nan 8.240 nan 0.000 0.466 420 L N 2.710 123.820 121.223 -0.187 0.000 2.363 420 L HA 0.223 4.468 4.340 -0.157 0.000 0.286 420 L C 0.487 177.289 176.870 -0.113 0.000 1.106 420 L CA -0.550 54.136 54.840 -0.257 0.000 0.859 420 L CB 0.326 42.139 42.059 -0.410 0.000 1.223 420 L HN -0.008 nan 8.230 nan 0.000 0.446 427 E N 1.731 122.007 120.200 0.126 0.000 2.945 427 E HA 0.237 4.492 4.350 -0.157 0.000 0.196 427 E C -0.601 175.968 176.600 -0.051 0.000 0.965 427 E CA -0.606 55.843 56.400 0.083 0.000 1.270 427 E CB 0.685 30.436 29.700 0.085 0.000 1.045 427 E HN 0.092 nan 8.360 nan 0.000 0.474 428 E N 1.222 121.353 120.200 -0.115 0.000 2.275 428 E HA 0.231 4.487 4.350 -0.157 0.000 0.270 428 E C -0.089 176.408 176.600 -0.172 0.000 0.882 428 E CA -0.622 55.619 56.400 -0.264 0.000 0.758 428 E CB 2.344 31.628 29.700 -0.693 0.000 1.195 428 E HN 0.080 nan 8.360 nan 0.000 0.419 429 R N 2.026 122.441 120.500 -0.142 0.000 2.113 429 R HA -0.167 4.079 4.340 -0.157 0.000 0.244 429 R C 1.853 178.097 176.300 -0.093 0.000 1.142 429 R CA 1.777 57.829 56.100 -0.079 0.000 0.953 429 R CB 0.146 30.437 30.300 -0.015 0.000 0.860 429 R HN 0.334 nan 8.270 nan 0.000 0.438 430 R N -0.796 119.593 120.500 -0.185 0.000 2.152 430 R HA -0.083 4.162 4.340 -0.157 0.000 0.232 430 R C 1.797 177.986 176.300 -0.185 0.000 1.117 430 R CA 1.718 57.605 56.100 -0.355 0.000 0.981 430 R CB -0.057 30.002 30.300 -0.401 0.000 0.870 430 R HN 0.344 nan 8.270 nan 0.000 0.451 431 T N -0.190 114.297 114.554 -0.112 0.000 2.814 431 T HA -0.030 4.226 4.350 -0.157 0.000 0.254 431 T C 1.856 176.560 174.700 0.008 0.000 1.037 431 T CA 1.251 63.324 62.100 -0.044 0.000 1.143 431 T CB -0.018 68.838 68.868 -0.021 0.000 0.866 431 T HN 0.217 nan 8.240 nan 0.000 0.431 432 S N 1.974 117.711 115.700 0.062 0.000 2.372 432 S HA -0.084 4.291 4.470 -0.157 0.000 0.227 432 S C 2.006 176.662 174.600 0.093 0.000 1.044 432 S CA 1.136 59.427 58.200 0.151 0.000 1.050 432 S CB -0.642 62.728 63.200 0.283 0.000 0.901 432 S HN 0.354 nan 8.310 nan 0.000 0.447 433 L N 1.074 122.321 121.223 0.041 0.000 2.191 433 L HA -0.046 4.200 4.340 -0.157 0.000 0.212 433 L C 0.903 177.759 176.870 -0.023 0.000 1.103 433 L CA 0.866 55.719 54.840 0.022 0.000 0.769 433 L CB -0.351 41.705 42.059 -0.004 0.000 0.908 433 L HN 0.311 nan 8.230 nan 0.000 0.438 434 N N -0.451 118.220 118.700 -0.048 0.000 2.416 434 N HA 0.073 4.718 4.740 -0.157 0.000 0.267 434 N C 1.216 176.694 175.510 -0.053 0.000 1.294 434 N CA -0.090 52.918 53.050 -0.070 0.000 0.891 434 N CB 1.116 39.552 38.487 -0.086 0.000 1.238 434 N HN 0.088 nan 8.380 nan 0.000 0.508 435 L N 1.612 122.817 121.223 -0.030 0.000 1.997 435 L HA -0.164 4.082 4.340 -0.157 0.000 0.216 435 L C 2.196 179.055 176.870 -0.017 0.000 1.074 435 L CA 1.992 56.830 54.840 -0.002 0.000 0.763 435 L CB -0.181 41.902 42.059 0.039 0.000 0.890 435 L HN 0.068 nan 8.230 nan 0.000 0.434 436 R N -0.604 119.843 120.500 -0.089 0.000 2.091 436 R HA -0.159 4.087 4.340 -0.157 0.000 0.238 436 R C 2.322 178.612 176.300 -0.016 0.000 1.136 436 R CA 1.742 57.798 56.100 -0.072 0.000 0.959 436 R CB -0.614 29.523 30.300 -0.273 0.000 0.856 436 R HN 0.684 nan 8.270 nan 0.000 0.437 437 S N -0.042 115.630 115.700 -0.048 0.000 2.402 437 S HA -0.146 4.230 4.470 -0.157 0.000 0.229 437 S C 2.241 176.841 174.600 0.000 0.000 1.021 437 S CA 1.083 59.270 58.200 -0.021 0.000 0.974 437 S CB -0.543 62.634 63.200 -0.038 0.000 0.800 437 S HN 0.349 nan 8.310 nan 0.000 0.484 438 C N 1.786 121.086 119.300 0.001 0.000 2.432 438 C HA 0.115 4.480 4.460 -0.157 0.000 0.277 438 C C 2.630 177.640 174.990 0.034 0.000 1.249 438 C CA 0.423 59.452 59.018 0.018 0.000 1.725 438 C CB -1.368 26.386 27.740 0.023 0.000 2.028 438 C HN 0.588 nan 8.230 nan 0.000 0.477 439 I N 1.592 122.192 120.570 0.049 0.000 2.264 439 I HA -0.245 3.830 4.170 -0.157 0.000 0.248 439 I C 2.741 178.893 176.117 0.059 0.000 1.111 439 I CA 1.573 62.914 61.300 0.068 0.000 1.382 439 I CB -0.589 37.468 38.000 0.096 0.000 1.060 439 I HN 0.302 nan 8.210 nan 0.000 0.418 440 A N 0.550 123.403 122.820 0.055 0.000 1.908 440 A HA -0.235 3.990 4.320 -0.157 0.000 0.218 440 A C 2.168 179.770 177.584 0.030 0.000 1.181 440 A CA 1.417 53.482 52.037 0.047 0.000 0.627 440 A CB -0.484 18.543 19.000 0.045 0.000 0.818 440 A HN 0.451 nan 8.150 nan 0.000 0.445 441 Q N -0.655 119.158 119.800 0.023 0.000 2.439 441 Q HA 0.029 4.274 4.340 -0.157 0.000 0.211 441 Q C 1.021 177.020 176.000 -0.001 0.000 0.978 441 Q CA 1.156 56.966 55.803 0.012 0.000 0.897 441 Q CB -0.548 28.198 28.738 0.014 0.000 0.956 441 Q HN 0.680 nan 8.270 nan 0.000 0.483 442 A N -0.250 122.574 122.820 0.006 0.000 2.674 442 A HA 0.486 4.711 4.320 -0.157 0.000 0.286 442 A C 1.689 179.285 177.584 0.020 0.000 0.980 442 A CA 0.260 52.294 52.037 -0.004 0.000 1.028 442 A CB -0.232 18.751 19.000 -0.028 0.000 1.199 442 A HN 0.208 nan 8.150 nan 0.000 0.499 443 R N 0.922 121.437 120.500 0.025 0.000 2.154 443 R HA -0.213 4.033 4.340 -0.157 0.000 0.248 443 R C 1.071 177.389 176.300 0.030 0.000 1.155 443 R CA 2.397 58.516 56.100 0.032 0.000 0.979 443 R CB -1.460 28.857 30.300 0.028 0.000 0.869 443 R HN 0.762 nan 8.270 nan 0.000 0.452 444 N N -1.249 117.464 118.700 0.022 0.000 2.230 444 N HA 0.163 4.808 4.740 -0.157 0.000 0.202 444 N C 1.125 176.648 175.510 0.022 0.000 1.119 444 N CA 0.084 53.145 53.050 0.020 0.000 0.851 444 N CB 0.755 39.249 38.487 0.011 0.000 0.990 444 N HN 0.445 nan 8.380 nan 0.000 0.497 445 R N -0.388 120.131 120.500 0.032 0.000 2.568 445 R HA 0.166 4.412 4.340 -0.157 0.000 0.254 445 R C -0.090 176.244 176.300 0.058 0.000 0.925 445 R CA -0.085 56.040 56.100 0.042 0.000 1.025 445 R CB 0.763 31.102 30.300 0.066 0.000 1.428 445 R HN 0.025 nan 8.270 nan 0.000 0.573 446 V N 1.632 121.586 119.914 0.067 0.000 2.485 446 V HA 0.217 4.243 4.120 -0.157 0.000 0.287 446 V C 0.635 176.809 176.094 0.132 0.000 1.022 446 V CA 0.664 63.024 62.300 0.101 0.000 1.067 446 V CB 1.123 33.012 31.823 0.110 0.000 0.967 446 V HN 0.357 nan 8.190 nan 0.000 0.479 447 A N 7.054 129.974 122.820 0.166 0.000 2.419 447 A HA 0.592 4.818 4.320 -0.157 0.000 0.233 447 A C 0.099 177.907 177.584 0.373 0.000 1.217 447 A CA 0.200 52.369 52.037 0.220 0.000 0.944 447 A CB 0.289 19.417 19.000 0.212 0.000 1.025 447 A HN 1.485 nan 8.150 nan 0.000 0.524 448 F N -0.305 119.745 119.950 0.167 0.000 2.744 448 F HA 0.604 5.054 4.527 -0.128 0.000 0.311 448 F C -2.187 173.707 175.800 0.157 0.000 1.144 448 F CA -2.689 55.426 58.000 0.190 0.000 0.938 448 F CB 0.337 39.519 39.000 0.303 0.000 1.292 448 F HN 0.222 nan 8.300 nan 0.000 0.444 449 I N 1.903 122.655 120.570 0.303 0.000 2.769 449 I HA 0.679 4.755 4.170 -0.157 0.000 0.298 449 I C -1.719 174.281 176.117 -0.196 0.000 1.128 449 I CA -0.664 60.739 61.300 0.171 0.000 1.031 449 I CB 2.445 40.514 38.000 0.114 0.000 1.235 449 I HN 0.754 nan 8.210 nan 0.000 0.423 450 N N 2.621 121.213 118.700 -0.179 0.000 2.367 450 N HA 0.305 4.950 4.740 -0.157 0.000 0.278 450 N C -1.363 174.019 175.510 -0.214 0.000 1.117 450 N CA -0.262 52.567 53.050 -0.369 0.000 0.867 450 N CB 2.863 40.965 38.487 -0.641 0.000 1.649 450 N HN 0.834 nan 8.380 nan 0.000 0.479 451 T N -0.240 114.161 114.554 -0.255 0.000 2.739 451 T HA 0.440 4.695 4.350 -0.157 0.000 0.298 451 T C 0.801 175.503 174.700 0.003 0.000 0.929 451 T CA -0.700 61.333 62.100 -0.113 0.000 1.014 451 T CB 0.357 69.023 68.868 -0.337 0.000 0.914 451 T HN 0.481 nan 8.240 nan 0.000 0.509 452 G N 3.292 112.142 108.800 0.084 0.000 2.915 452 G HA2 0.381 4.247 3.960 -0.157 0.000 0.298 452 G HA3 0.381 4.247 3.960 -0.157 0.000 0.298 452 G C 0.439 175.403 174.900 0.108 0.000 0.837 452 G CA -1.025 44.078 45.100 0.005 0.000 1.752 452 G HN 0.876 nan 8.290 nan 0.000 0.526 453 F N 1.501 121.521 119.950 0.116 0.000 2.408 453 F HA 0.031 4.463 4.527 -0.158 0.000 0.300 453 F C 1.572 177.411 175.800 0.065 0.000 1.090 453 F CA 0.528 58.625 58.000 0.161 0.000 1.427 453 F CB -0.179 38.938 39.000 0.195 0.000 1.070 453 F HN 0.293 nan 8.300 nan 0.000 0.549 454 L N 0.166 120.929 121.223 -0.766 0.000 2.102 454 L HA -0.063 4.182 4.340 -0.157 0.000 0.202 454 L C 2.324 179.071 176.870 -0.205 0.000 1.076 454 L CA 1.057 55.584 54.840 -0.522 0.000 0.761 454 L CB -0.880 40.845 42.059 -0.557 0.000 0.921 454 L HN -0.001 nan 8.230 nan 0.000 0.444 455 D N 0.185 120.502 120.400 -0.138 0.000 2.149 455 D HA -0.201 4.344 4.640 -0.157 0.000 0.198 455 D C 2.271 178.530 176.300 -0.068 0.000 0.990 455 D CA 1.050 55.020 54.000 -0.052 0.000 0.839 455 D CB 0.023 40.836 40.800 0.022 0.000 0.948 455 D HN 0.018 nan 8.370 nan 0.000 0.460 456 R N 0.377 120.834 120.500 -0.071 0.000 2.096 456 R HA -0.067 4.179 4.340 -0.157 0.000 0.235 456 R C 2.044 178.283 176.300 -0.102 0.000 1.127 456 R CA 1.574 57.594 56.100 -0.133 0.000 0.968 456 R CB -0.818 29.310 30.300 -0.286 0.000 0.861 456 R HN 0.067 nan 8.270 nan 0.000 0.440 457 T N -1.113 113.465 114.554 0.039 0.000 2.812 457 T HA 0.004 4.260 4.350 -0.157 0.000 0.264 457 T C 1.703 176.390 174.700 -0.023 0.000 1.042 457 T CA 1.307 63.479 62.100 0.119 0.000 1.140 457 T CB -0.584 68.398 68.868 0.190 0.000 0.870 457 T HN 0.524 nan 8.240 nan 0.000 0.445 458 G N 1.063 109.829 108.800 -0.056 0.000 2.422 458 G HA2 -0.243 3.623 3.960 -0.157 0.000 0.218 458 G HA3 -0.243 3.623 3.960 -0.157 0.000 0.218 458 G C 1.346 176.185 174.900 -0.102 0.000 1.146 458 G CA 1.127 46.181 45.100 -0.077 0.000 0.769 458 G HN 0.469 nan 8.290 nan 0.000 0.547 459 D N 0.305 120.625 120.400 -0.135 0.000 2.117 459 D HA -0.021 4.524 4.640 -0.157 0.000 0.198 459 D C 1.542 177.761 176.300 -0.134 0.000 0.982 459 D CA 0.670 54.590 54.000 -0.132 0.000 0.828 459 D CB -0.096 40.618 40.800 -0.144 0.000 0.967 459 D HN 0.349 nan 8.370 nan 0.000 0.464 463 S N 0.398 116.081 115.700 -0.028 0.000 2.353 463 S HA -0.081 4.295 4.470 -0.157 0.000 0.222 463 S C 1.064 175.562 174.600 -0.170 0.000 1.035 463 S CA 1.428 59.597 58.200 -0.051 0.000 1.025 463 S CB -0.293 62.896 63.200 -0.017 0.000 0.902 463 S HN 0.385 nan 8.310 nan 0.000 0.440 467 A N 1.331 124.156 122.820 0.009 0.000 1.972 467 A HA 0.348 4.574 4.320 -0.157 0.000 0.219 467 A C 1.297 178.813 177.584 -0.113 0.000 1.169 467 A CA 2.131 54.171 52.037 0.004 0.000 0.635 467 A CB -0.028 18.934 19.000 -0.064 0.000 0.810 467 A HN 0.366 nan 8.150 nan 0.000 0.446 468 G N -2.821 105.747 108.800 -0.387 0.000 2.350 468 G HA2 0.356 4.222 3.960 -0.157 0.000 0.276 468 G HA3 0.356 4.222 3.960 -0.157 0.000 0.276 468 G C -3.396 170.956 174.900 -0.914 0.000 1.313 468 G CA -0.168 44.445 45.100 -0.811 0.000 0.903 468 G HN 0.115 nan 8.290 nan 0.000 0.490 472 R N 0.807 121.580 120.500 0.455 0.000 2.698 472 R HA 0.015 4.261 4.340 -0.157 0.000 0.266 472 R C 0.922 177.203 176.300 -0.033 0.000 1.026 472 R CA -0.009 56.135 56.100 0.074 0.000 1.102 472 R CB 0.569 30.873 30.300 0.007 0.000 0.978 472 R HN 0.500 nan 8.270 nan 0.000 0.436 473 K N 2.218 122.385 120.400 -0.388 0.000 2.059 473 K HA -0.310 3.915 4.320 -0.157 0.000 0.212 473 K C 1.615 178.152 176.600 -0.106 0.000 1.050 473 K CA 2.565 58.673 56.287 -0.298 0.000 0.927 473 K CB -0.163 32.045 32.500 -0.486 0.000 0.714 473 K HN 0.682 nan 8.250 nan 0.000 0.447 474 N N 0.168 118.809 118.700 -0.100 0.000 2.364 474 N HA -0.161 4.485 4.740 -0.157 0.000 0.183 474 N C 0.185 175.694 175.510 -0.001 0.000 1.022 474 N CA 0.816 53.840 53.050 -0.043 0.000 0.883 474 N CB 0.019 38.482 38.487 -0.041 0.000 0.965 474 N HN 0.295 nan 8.380 nan 0.000 0.438 478 S N 1.919 117.556 115.700 -0.103 0.000 2.540 478 S HA 0.054 4.430 4.470 -0.157 0.000 0.218 478 S C 0.539 175.081 174.600 -0.096 0.000 0.977 478 S CA 0.345 58.493 58.200 -0.087 0.000 0.918 478 S CB 0.573 63.751 63.200 -0.036 0.000 0.806 478 S HN 0.560 nan 8.310 nan 0.000 0.496 479 T N 0.808 115.272 114.554 -0.150 0.000 2.868 479 T HA 0.230 4.485 4.350 -0.157 0.000 0.292 479 T C -1.967 172.627 174.700 -0.177 0.000 1.028 479 T CA -1.424 60.598 62.100 -0.131 0.000 1.059 479 T CB 0.686 69.487 68.868 -0.111 0.000 0.991 479 T HN -0.134 nan 8.240 nan 0.000 0.531 480 P HA -0.077 nan 4.420 nan 0.000 0.216 480 P C 1.904 179.218 177.300 0.023 0.000 1.153 480 P CA 1.235 64.338 63.100 0.005 0.000 0.848 480 P CB -0.296 31.452 31.700 0.079 0.000 0.787 481 W N 0.670 122.007 121.300 0.062 0.000 2.338 481 W HA -0.128 4.439 4.660 -0.156 0.000 0.304 481 W C 1.750 178.331 176.519 0.104 0.000 1.212 481 W CA 0.595 57.986 57.345 0.076 0.000 1.264 481 W CB -1.661 27.837 29.460 0.063 0.000 1.142 481 W HN -0.116 nan 8.180 nan 0.000 0.512 482 I N 1.937 121.819 120.570 -1.147 0.000 2.315 482 I HA -0.278 3.798 4.170 -0.157 0.000 0.248 482 I C 2.640 178.568 176.117 -0.316 0.000 1.117 482 I CA 1.483 62.149 61.300 -1.057 0.000 1.404 482 I CB -0.120 37.144 38.000 -1.226 0.000 1.071 482 I HN -0.108 nan 8.210 nan 0.000 0.419 483 K N 0.679 120.930 120.400 -0.248 0.000 2.057 483 K HA -0.113 4.113 4.320 -0.157 0.000 0.206 483 K C 2.130 178.691 176.600 -0.064 0.000 1.050 483 K CA 1.434 57.638 56.287 -0.139 0.000 0.935 483 K CB -0.287 32.145 32.500 -0.114 0.000 0.715 483 K HN 0.337 nan 8.250 nan 0.000 0.439 484 A N 1.203 124.023 122.820 0.000 0.000 1.930 484 A HA -0.198 4.027 4.320 -0.157 0.000 0.217 484 A C 2.092 179.739 177.584 0.104 0.000 1.175 484 A CA 1.202 53.274 52.037 0.058 0.000 0.627 484 A CB -0.726 18.349 19.000 0.125 0.000 0.815 484 A HN 0.435 nan 8.150 nan 0.000 0.443 485 Y N 1.081 121.401 120.300 0.033 0.000 2.097 485 Y HA -0.232 4.259 4.550 -0.098 0.000 0.282 485 Y C 2.247 178.153 175.900 0.010 0.000 1.152 485 Y CA 2.231 60.380 58.100 0.082 0.000 1.136 485 Y CB -0.277 38.278 38.460 0.158 0.000 0.975 485 Y HN 0.362 nan 8.280 nan 0.000 0.498 486 E N 0.163 120.212 120.200 -0.251 0.000 2.051 486 E HA -0.245 4.011 4.350 -0.157 0.000 0.192 486 E C 2.310 178.755 176.600 -0.258 0.000 0.991 486 E CA 1.505 57.675 56.400 -0.383 0.000 0.799 486 E CB -0.395 29.143 29.700 -0.270 0.000 0.748 486 E HN 0.355 nan 8.360 nan 0.000 0.449 487 R N 1.724 122.124 120.500 -0.167 0.000 2.073 487 R HA -0.132 4.114 4.340 -0.157 0.000 0.234 487 R C 1.913 178.129 176.300 -0.140 0.000 1.134 487 R CA 1.931 57.939 56.100 -0.153 0.000 0.952 487 R CB -0.747 29.480 30.300 -0.123 0.000 0.850 487 R HN 0.100 nan 8.270 nan 0.000 0.433 488 N N 0.410 119.070 118.700 -0.065 0.000 2.149 488 N HA -0.201 4.445 4.740 -0.157 0.000 0.188 488 N C 1.618 177.143 175.510 0.026 0.000 1.019 488 N CA 1.717 54.784 53.050 0.029 0.000 0.857 488 N CB -0.410 38.147 38.487 0.116 0.000 0.997 488 N HN 0.388 nan 8.380 nan 0.000 0.426 489 N N 0.156 118.805 118.700 -0.084 0.000 2.058 489 N HA -0.137 4.509 4.740 -0.157 0.000 0.191 489 N C 1.558 177.025 175.510 -0.071 0.000 1.037 489 N CA 1.652 54.643 53.050 -0.098 0.000 0.848 489 N CB -0.234 38.098 38.487 -0.259 0.000 1.021 489 N HN 0.142 nan 8.380 nan 0.000 0.422 490 V N 2.205 122.040 119.914 -0.131 0.000 2.255 490 V HA -0.227 3.798 4.120 -0.157 0.000 0.247 490 V C 2.648 178.654 176.094 -0.147 0.000 1.051 490 V CA 1.395 63.610 62.300 -0.141 0.000 1.018 490 V CB -0.610 31.100 31.823 -0.189 0.000 0.641 490 V HN 0.304 nan 8.190 nan 0.000 0.445 491 L N -0.200 120.900 121.223 -0.205 0.000 2.083 491 L HA -0.151 4.094 4.340 -0.157 0.000 0.209 491 L C 2.631 179.639 176.870 0.230 0.000 1.083 491 L CA 1.597 56.248 54.840 -0.315 0.000 0.752 491 L CB -0.719 40.984 42.059 -0.592 0.000 0.899 491 L HN 0.318 nan 8.230 nan 0.000 0.433 492 S N 0.217 116.118 115.700 0.336 0.000 2.368 492 S HA -0.136 4.240 4.470 -0.157 0.000 0.225 492 S C 2.031 176.816 174.600 0.309 0.000 1.030 492 S CA 1.318 59.742 58.200 0.373 0.000 0.999 492 S CB -0.563 62.752 63.200 0.192 0.000 0.844 492 S HN 0.618 nan 8.310 nan 0.000 0.459 493 G N 1.538 110.443 108.800 0.176 0.000 2.402 493 G HA2 -0.085 3.780 3.960 -0.157 0.000 0.216 493 G HA3 -0.085 3.780 3.960 -0.157 0.000 0.216 493 G C 1.339 176.346 174.900 0.177 0.000 1.162 493 G CA 0.446 45.634 45.100 0.147 0.000 0.777 493 G HN 0.410 nan 8.290 nan 0.000 0.539 494 L N -0.700 120.612 121.223 0.149 0.000 2.017 494 L HA -0.013 4.232 4.340 -0.157 0.000 0.208 494 L C 2.574 179.678 176.870 0.389 0.000 1.073 494 L CA 1.182 56.127 54.840 0.175 0.000 0.745 494 L CB -0.530 41.517 42.059 -0.019 0.000 0.894 494 L HN 0.253 nan 8.230 nan 0.000 0.432 495 F N 0.530 120.742 119.950 0.437 0.000 2.120 495 F HA -0.287 4.137 4.527 -0.171 0.000 0.300 495 F C 2.268 178.199 175.800 0.218 0.000 1.095 495 F CA 1.628 59.901 58.000 0.455 0.000 1.249 495 F CB -0.262 39.078 39.000 0.567 0.000 0.995 495 F HN 0.070 nan 8.300 nan 0.000 0.480 496 C N 0.838 120.335 119.300 0.328 0.000 2.626 496 C HA 0.428 4.793 4.460 -0.157 0.000 0.266 496 C C 1.545 176.580 174.990 0.075 0.000 1.317 496 C CA 0.499 59.617 59.018 0.166 0.000 1.716 496 C CB -1.259 26.615 27.740 0.223 0.000 1.819 496 C HN 0.875 nan 8.230 nan 0.000 0.578 497 G N 1.181 110.031 108.800 0.082 0.000 2.248 497 G HA2 -0.224 3.641 3.960 -0.157 0.000 0.263 497 G HA3 -0.224 3.641 3.960 -0.157 0.000 0.263 497 G C 0.392 175.337 174.900 0.075 0.000 1.082 497 G CA 0.116 45.253 45.100 0.061 0.000 0.863 497 G HN 0.550 nan 8.290 nan 0.000 0.495 498 L N -0.887 120.394 121.223 0.096 0.000 2.375 498 L HA 0.199 4.444 4.340 -0.157 0.000 0.215 498 L C 1.951 178.868 176.870 0.079 0.000 1.108 498 L CA 0.020 54.916 54.840 0.093 0.000 0.830 498 L CB -0.062 42.060 42.059 0.107 0.000 0.959 498 L HN 0.399 nan 8.230 nan 0.000 0.457 499 R N 1.073 121.616 120.500 0.071 0.000 2.486 499 R HA -0.027 4.219 4.340 -0.157 0.000 0.304 499 R C 1.227 177.560 176.300 0.055 0.000 0.913 499 R CA 1.047 57.181 56.100 0.057 0.000 1.124 499 R CB 0.025 30.356 30.300 0.052 0.000 0.891 499 R HN 0.375 nan 8.270 nan 0.000 0.410 500 G N 1.759 110.591 108.800 0.053 0.000 2.257 500 G HA2 -0.428 3.437 3.960 -0.157 0.000 0.267 500 G HA3 -0.428 3.437 3.960 -0.157 0.000 0.267 500 G C 0.737 175.673 174.900 0.060 0.000 0.984 500 G CA 0.847 45.977 45.100 0.050 0.000 0.626 500 G HN 0.768 nan 8.290 nan 0.000 0.540 501 K N -1.174 119.268 120.400 0.071 0.000 2.391 501 K HA 0.878 5.104 4.320 -0.157 0.000 0.197 501 K C 0.969 177.633 176.600 0.108 0.000 1.087 501 K CA 1.881 58.216 56.287 0.080 0.000 1.012 501 K CB 0.545 33.087 32.500 0.071 0.000 0.925 501 K HN 2.124 nan 8.250 nan 0.000 0.547 502 A N -0.229 122.662 122.820 0.118 0.000 2.564 502 A HA 0.718 4.944 4.320 -0.157 0.000 0.288 502 A C -1.369 176.310 177.584 0.158 0.000 1.164 502 A CA -0.601 51.532 52.037 0.161 0.000 0.712 502 A CB 1.084 20.185 19.000 0.168 0.000 1.303 502 A HN 0.263 nan 8.150 nan 0.000 0.418 503 Q N -0.071 119.859 119.800 0.218 0.000 2.230 503 Q HA 0.622 4.867 4.340 -0.157 0.000 0.253 503 Q C -1.214 174.832 176.000 0.075 0.000 0.919 503 Q CA -0.116 55.783 55.803 0.160 0.000 0.908 503 Q CB 1.788 30.663 28.738 0.227 0.000 1.245 503 Q HN 0.565 nan 8.270 nan 0.000 0.437 504 I N 2.191 122.767 120.570 0.009 0.000 2.428 504 I HA 0.410 4.485 4.170 -0.157 0.000 0.279 504 I C 0.187 176.240 176.117 -0.106 0.000 1.040 504 I CA -0.505 60.763 61.300 -0.053 0.000 1.171 504 I CB 1.276 39.256 38.000 -0.034 0.000 1.312 504 I HN 0.570 nan 8.210 nan 0.000 0.470 505 G N 5.169 113.838 108.800 -0.219 0.000 2.537 505 G HA2 0.706 4.571 3.960 -0.157 0.000 0.323 505 G HA3 0.706 4.571 3.960 -0.157 0.000 0.323 505 G C -0.831 173.892 174.900 -0.295 0.000 1.207 505 G CA -0.573 44.385 45.100 -0.237 0.000 0.976 505 G HN 0.413 nan 8.290 nan 0.000 0.487 506 K N -0.518 119.726 120.400 -0.260 0.000 2.400 506 K HA 0.583 4.809 4.320 -0.157 0.000 0.246 506 K C 0.554 176.954 176.600 -0.334 0.000 0.995 506 K CA -0.753 55.378 56.287 -0.260 0.000 0.840 506 K CB 2.166 34.563 32.500 -0.171 0.000 1.293 506 K HN 0.627 nan 8.250 nan 0.000 0.445 513 D N 0.113 120.600 120.400 0.146 0.000 2.349 513 D HA 0.216 4.762 4.640 -0.157 0.000 0.214 513 D C 0.870 177.248 176.300 0.130 0.000 1.063 513 D CA 0.441 54.505 54.000 0.106 0.000 0.847 513 D CB 0.996 41.839 40.800 0.072 0.000 0.933 513 D HN 0.283 nan 8.370 nan 0.000 0.513 520 S N 0.969 116.629 115.700 -0.066 0.000 2.345 520 S HA -0.190 4.186 4.470 -0.157 0.000 0.219 520 S C 1.726 176.223 174.600 -0.173 0.000 1.031 520 S CA 1.943 60.075 58.200 -0.112 0.000 0.984 520 S CB -0.199 62.992 63.200 -0.016 0.000 0.874 520 S HN 0.731 nan 8.310 nan 0.000 0.451 521 Q N 0.731 120.428 119.800 -0.172 0.000 2.297 521 Q HA 0.211 4.456 4.340 -0.157 0.000 0.203 521 Q C 1.861 177.701 176.000 -0.267 0.000 0.931 521 Q CA 0.683 56.388 55.803 -0.163 0.000 0.885 521 Q CB -0.294 28.437 28.738 -0.012 0.000 0.991 521 Q HN 0.222 nan 8.270 nan 0.000 0.498 522 K N 0.715 120.893 120.400 -0.371 0.000 2.218 522 K HA -0.122 4.103 4.320 -0.157 0.000 0.205 522 K C 1.898 178.159 176.600 -0.566 0.000 1.046 522 K CA 1.330 57.362 56.287 -0.424 0.000 0.933 522 K CB -0.430 31.840 32.500 -0.383 0.000 0.728 522 K HN 0.483 nan 8.250 nan 0.000 0.454 523 G N 0.619 108.859 108.800 -0.932 0.000 2.535 523 G HA2 -0.214 3.652 3.960 -0.157 0.000 0.218 523 G HA3 -0.214 3.652 3.960 -0.157 0.000 0.218 523 G C 0.821 175.516 174.900 -0.342 0.000 1.122 523 G CA 0.644 45.359 45.100 -0.641 0.000 0.769 523 G HN 0.301 nan 8.290 nan 0.000 0.549 524 D N 0.635 120.865 120.400 -0.283 0.000 2.178 524 D HA -0.092 4.453 4.640 -0.157 0.000 0.201 524 D C 2.608 178.797 176.300 -0.185 0.000 0.980 524 D CA 0.742 54.621 54.000 -0.200 0.000 0.842 524 D CB -0.107 40.592 40.800 -0.167 0.000 0.948 524 D HN 0.431 nan 8.370 nan 0.000 0.472 525 Q N 0.115 119.802 119.800 -0.188 0.000 2.084 525 Q HA -0.076 4.170 4.340 -0.157 0.000 0.202 525 Q C 2.523 178.430 176.000 -0.156 0.000 0.978 525 Q CA 0.722 56.431 55.803 -0.157 0.000 0.844 525 Q CB -0.070 28.597 28.738 -0.118 0.000 0.898 525 Q HN 0.350 nan 8.270 nan 0.000 0.426 526 L N 0.116 121.223 121.223 -0.193 0.000 2.056 526 L HA -0.152 4.094 4.340 -0.157 0.000 0.207 526 L C 2.402 179.173 176.870 -0.165 0.000 1.078 526 L CA 1.211 55.925 54.840 -0.210 0.000 0.749 526 L CB -0.448 41.408 42.059 -0.338 0.000 0.901 526 L HN 0.157 nan 8.230 nan 0.000 0.433 527 R N 0.206 120.607 120.500 -0.165 0.000 2.193 527 R HA -0.075 4.171 4.340 -0.157 0.000 0.229 527 R C 2.175 178.400 176.300 -0.124 0.000 1.110 527 R CA 1.040 57.060 56.100 -0.133 0.000 0.988 527 R CB -0.304 29.919 30.300 -0.129 0.000 0.871 527 R HN 0.331 nan 8.270 nan 0.000 0.458 528 A N -0.178 122.560 122.820 -0.136 0.000 2.208 528 A HA 0.207 4.433 4.320 -0.157 0.000 0.209 528 A C 1.391 178.893 177.584 -0.136 0.000 1.161 528 A CA 0.835 52.790 52.037 -0.137 0.000 0.782 528 A CB -0.004 18.906 19.000 -0.150 0.000 0.816 528 A HN 0.421 nan 8.150 nan 0.000 0.477 529 G N -2.362 106.364 108.800 -0.124 0.000 2.148 529 G HA2 0.170 4.036 3.960 -0.157 0.000 0.203 529 G HA3 0.170 4.036 3.960 -0.157 0.000 0.203 529 G C 0.317 175.157 174.900 -0.100 0.000 0.993 529 G CA 0.148 45.180 45.100 -0.113 0.000 0.661 529 G HN 1.457 nan 8.290 nan 0.000 0.518 530 A N 0.211 122.972 122.820 -0.100 0.000 2.322 530 A HA 0.668 4.894 4.320 -0.157 0.000 0.269 530 A C 1.042 178.613 177.584 -0.021 0.000 1.094 530 A CA 0.480 52.474 52.037 -0.072 0.000 0.807 530 A CB 0.398 19.355 19.000 -0.072 0.000 1.047 530 A HN 0.994 nan 8.150 nan 0.000 0.487 531 N N -0.358 118.360 118.700 0.029 0.000 2.177 531 N HA 0.165 4.810 4.740 -0.157 0.000 0.218 531 N C -0.243 175.393 175.510 0.210 0.000 1.182 531 N CA 0.412 53.523 53.050 0.103 0.000 0.882 531 N CB 0.840 39.370 38.487 0.073 0.000 1.052 531 N HN 0.489 nan 8.380 nan 0.000 0.519 532 T N -0.839 113.822 114.554 0.179 0.000 2.885 532 T HA 0.761 5.017 4.350 -0.157 0.000 0.322 532 T C -2.191 172.648 174.700 0.231 0.000 1.387 532 T CA -0.358 61.882 62.100 0.233 0.000 1.041 532 T CB 1.400 70.342 68.868 0.122 0.000 1.287 532 T HN 0.357 nan 8.240 nan 0.000 0.491 533 A N 1.919 124.972 122.820 0.389 0.000 2.594 533 A HA 0.703 4.929 4.320 -0.157 0.000 0.295 533 A C -2.005 175.906 177.584 0.545 0.000 1.071 533 A CA -0.810 51.443 52.037 0.361 0.000 0.685 533 A CB 0.969 20.143 19.000 0.291 0.000 1.285 533 A HN 0.642 nan 8.150 nan 0.000 0.405 534 W N 1.145 122.526 121.300 0.134 0.000 2.272 534 W HA 0.502 5.082 4.660 -0.133 0.000 0.318 534 W C 0.092 176.689 176.519 0.131 0.000 1.255 534 W CA -0.578 56.842 57.345 0.125 0.000 1.200 534 W CB 1.037 30.564 29.460 0.112 0.000 1.170 534 W HN 0.833 nan 8.180 nan 0.000 0.549 535 V N 1.875 121.969 119.914 0.300 0.000 2.709 535 V HA 0.509 4.535 4.120 -0.157 0.000 0.308 535 V C -1.864 174.308 176.094 0.129 0.000 1.062 535 V CA -2.356 60.071 62.300 0.212 0.000 0.901 535 V CB 2.463 34.405 31.823 0.198 0.000 1.003 535 V HN 0.312 nan 8.190 nan 0.000 0.425 536 P HA 0.015 nan 4.420 nan 0.000 0.219 536 P C 0.533 177.840 177.300 0.013 0.000 1.150 536 P CA 1.486 64.638 63.100 0.086 0.000 0.814 536 P CB 0.264 32.042 31.700 0.130 0.000 0.787 537 S N -3.678 112.032 115.700 0.018 0.000 2.607 537 S HA 0.508 4.884 4.470 -0.157 0.000 0.273 537 S C -2.566 172.028 174.600 -0.009 0.000 1.148 537 S CA -1.497 56.689 58.200 -0.024 0.000 0.833 537 S CB 1.713 64.896 63.200 -0.029 0.000 1.130 537 S HN -0.303 nan 8.310 nan 0.000 0.470 538 P HA -0.055 nan 4.420 nan 0.000 0.216 538 P C 1.434 178.729 177.300 -0.009 0.000 1.153 538 P CA 1.695 64.785 63.100 -0.016 0.000 0.858 538 P CB -0.309 31.384 31.700 -0.013 0.000 0.789 539 T N -0.608 113.940 114.554 -0.010 0.000 2.746 539 T HA -0.123 4.132 4.350 -0.157 0.000 0.267 539 T C 1.873 176.568 174.700 -0.009 0.000 1.039 539 T CA 1.689 63.781 62.100 -0.013 0.000 1.142 539 T CB -0.873 67.986 68.868 -0.014 0.000 0.866 539 T HN 0.053 nan 8.240 nan 0.000 0.444 540 A N 1.188 124.016 122.820 0.014 0.000 1.972 540 A HA 0.192 4.418 4.320 -0.157 0.000 0.219 540 A C 2.585 180.215 177.584 0.077 0.000 1.169 540 A CA 1.724 53.783 52.037 0.037 0.000 0.635 540 A CB -0.918 18.127 19.000 0.075 0.000 0.810 540 A HN 0.502 nan 8.150 nan 0.000 0.446 541 A N -0.899 121.956 122.820 0.058 0.000 1.902 541 A HA -0.080 4.146 4.320 -0.157 0.000 0.217 541 A C 2.281 179.880 177.584 0.026 0.000 1.181 541 A CA 2.218 54.292 52.037 0.061 0.000 0.623 541 A CB -1.233 17.767 19.000 0.000 0.000 0.818 541 A HN 0.411 nan 8.150 nan 0.000 0.443 542 T N 0.476 115.026 114.554 -0.007 0.000 2.788 542 T HA -0.083 4.172 4.350 -0.157 0.000 0.268 542 T C 1.745 176.417 174.700 -0.047 0.000 1.044 542 T CA 1.566 63.646 62.100 -0.034 0.000 1.139 542 T CB -0.328 68.518 68.868 -0.037 0.000 0.867 542 T HN 0.390 nan 8.240 nan 0.000 0.454 543 L N -0.279 120.920 121.223 -0.041 0.000 2.127 543 L HA 0.042 4.288 4.340 -0.157 0.000 0.203 543 L C 2.584 179.448 176.870 -0.010 0.000 1.080 543 L CA 1.025 55.812 54.840 -0.087 0.000 0.768 543 L CB -0.562 41.411 42.059 -0.143 0.000 0.924 543 L HN 0.230 nan 8.230 nan 0.000 0.444 544 H N 0.899 119.951 119.070 -0.030 0.000 2.423 544 H HA -0.056 4.401 4.556 -0.166 0.000 0.297 544 H C 2.060 177.506 175.328 0.196 0.000 1.075 544 H CA 0.931 57.032 56.048 0.089 0.000 1.342 544 H CB 0.083 29.971 29.762 0.211 0.000 1.395 544 H HN 0.243 nan 8.280 nan 0.000 0.530 545 A N 0.740 123.596 122.820 0.061 0.000 1.986 545 A HA -0.143 4.082 4.320 -0.157 0.000 0.220 545 A C 2.484 180.189 177.584 0.201 0.000 1.171 545 A CA 1.607 53.663 52.037 0.032 0.000 0.640 545 A CB -0.939 18.043 19.000 -0.030 0.000 0.811 545 A HN 0.503 nan 8.150 nan 0.000 0.451 546 L N -1.811 119.493 121.223 0.135 0.000 2.275 546 L HA -0.175 4.070 4.340 -0.157 0.000 0.215 546 L C 2.300 179.371 176.870 0.334 0.000 1.119 546 L CA 1.373 56.361 54.840 0.246 0.000 0.790 546 L CB -0.919 41.165 42.059 0.042 0.000 0.919 546 L HN 0.491 nan 8.230 nan 0.000 0.443 547 H N -1.234 117.995 119.070 0.266 0.000 2.387 547 H HA -0.158 4.307 4.556 -0.152 0.000 0.299 547 H C 1.887 177.168 175.328 -0.078 0.000 1.090 547 H CA 1.560 57.641 56.048 0.055 0.000 1.332 547 H CB -0.023 29.717 29.762 -0.036 0.000 1.386 547 H HN 0.264 nan 8.280 nan 0.000 0.516 548 Y N -0.698 119.625 120.300 0.037 0.000 2.509 548 Y HA -0.133 4.320 4.550 -0.161 0.000 0.293 548 Y C 2.098 177.908 175.900 -0.150 0.000 1.133 548 Y CA 0.708 58.744 58.100 -0.106 0.000 1.283 548 Y CB 0.034 38.353 38.460 -0.236 0.000 1.001 548 Y HN 0.420 nan 8.280 nan 0.000 0.555 549 H N -0.724 118.488 119.070 0.237 0.000 2.525 549 H HA 0.048 4.512 4.556 -0.154 0.000 0.275 549 H C 1.389 176.793 175.328 0.127 0.000 0.984 549 H CA 0.904 57.064 56.048 0.187 0.000 1.264 549 H CB 0.360 30.313 29.762 0.319 0.000 1.432 549 H HN 0.543 nan 8.280 nan 0.000 0.549 550 Q N 0.082 120.030 119.800 0.246 0.000 2.250 550 Q HA 0.067 4.313 4.340 -0.157 0.000 0.200 550 Q C 0.167 176.199 176.000 0.054 0.000 0.941 550 Q CA 0.705 56.598 55.803 0.151 0.000 0.872 550 Q CB 0.730 29.578 28.738 0.184 0.000 0.965 550 Q HN 0.030 nan 8.270 nan 0.000 0.480 551 T N 1.351 115.912 114.554 0.011 0.000 2.848 551 T HA 0.201 4.457 4.350 -0.157 0.000 0.285 551 T C -0.839 173.839 174.700 -0.037 0.000 0.995 551 T CA -0.722 61.354 62.100 -0.039 0.000 0.970 551 T CB 1.280 70.085 68.868 -0.105 0.000 0.976 551 T HN -0.002 nan 8.240 nan 0.000 0.441 552 N N 3.144 121.830 118.700 -0.024 0.000 2.469 552 N HA 0.084 4.730 4.740 -0.157 0.000 0.239 552 N C 1.481 176.979 175.510 -0.020 0.000 1.053 552 N CA -0.501 52.542 53.050 -0.012 0.000 0.937 552 N CB 1.030 39.515 38.487 -0.003 0.000 1.163 552 N HN 0.512 nan 8.380 nan 0.000 0.509 553 V N 1.795 121.701 119.914 -0.013 0.000 2.594 553 V HA -0.207 3.818 4.120 -0.157 0.000 0.253 553 V C 1.807 177.898 176.094 -0.005 0.000 1.069 553 V CA 1.451 63.742 62.300 -0.015 0.000 1.082 553 V CB -0.805 31.023 31.823 0.009 0.000 0.680 553 V HN 0.478 nan 8.190 nan 0.000 0.469 554 Q N 0.281 120.084 119.800 0.005 0.000 2.049 554 Q HA -0.099 4.147 4.340 -0.157 0.000 0.198 554 Q C 2.724 178.725 176.000 0.001 0.000 0.971 554 Q CA 1.823 57.631 55.803 0.007 0.000 0.833 554 Q CB -1.016 27.729 28.738 0.012 0.000 0.896 554 Q HN 0.898 nan 8.270 nan 0.000 0.434 555 S N 0.327 116.025 115.700 -0.003 0.000 2.359 555 S HA -0.177 4.199 4.470 -0.157 0.000 0.223 555 S C 2.086 176.678 174.600 -0.013 0.000 1.039 555 S CA 1.585 59.782 58.200 -0.006 0.000 1.042 555 S CB -0.575 62.620 63.200 -0.008 0.000 0.915 555 S HN 0.390 nan 8.310 nan 0.000 0.439 556 V N 1.872 121.771 119.914 -0.025 0.000 2.255 556 V HA -0.265 3.761 4.120 -0.157 0.000 0.247 556 V C 2.505 178.575 176.094 -0.039 0.000 1.051 556 V CA 1.875 64.152 62.300 -0.039 0.000 1.018 556 V CB -0.805 30.983 31.823 -0.058 0.000 0.641 556 V HN 0.516 nan 8.190 nan 0.000 0.445 557 Q N -0.385 119.396 119.800 -0.033 0.000 2.084 557 Q HA -0.180 4.065 4.340 -0.157 0.000 0.202 557 Q C 2.429 178.423 176.000 -0.011 0.000 0.978 557 Q CA 1.716 57.500 55.803 -0.033 0.000 0.844 557 Q CB -0.422 28.305 28.738 -0.019 0.000 0.898 557 Q HN 0.689 nan 8.270 nan 0.000 0.426 558 A N 1.404 124.227 122.820 0.003 0.000 1.902 558 A HA -0.291 3.934 4.320 -0.157 0.000 0.217 558 A C 2.036 179.634 177.584 0.024 0.000 1.181 558 A CA 1.978 54.027 52.037 0.020 0.000 0.623 558 A CB -1.573 17.437 19.000 0.017 0.000 0.818 558 A HN 0.572 nan 8.150 nan 0.000 0.443 559 N N 0.466 119.171 118.700 0.008 0.000 2.058 559 N HA -0.132 4.514 4.740 -0.157 0.000 0.191 559 N C 1.902 177.423 175.510 0.017 0.000 1.037 559 N CA 1.760 54.816 53.050 0.009 0.000 0.848 559 N CB -0.769 37.715 38.487 -0.005 0.000 1.021 559 N HN 0.520 nan 8.380 nan 0.000 0.422 560 I N 0.879 121.441 120.570 -0.013 0.000 2.194 560 I HA -0.216 3.859 4.170 -0.157 0.000 0.246 560 I C 2.971 179.121 176.117 0.056 0.000 1.093 560 I CA 1.369 62.649 61.300 -0.034 0.000 1.355 560 I CB -0.345 37.572 38.000 -0.138 0.000 1.046 560 I HN 0.453 nan 8.210 nan 0.000 0.413 561 A N 0.212 123.075 122.820 0.072 0.000 2.125 561 A HA -0.196 4.029 4.320 -0.157 0.000 0.219 561 A C 2.357 180.071 177.584 0.217 0.000 1.156 561 A CA 1.932 54.093 52.037 0.207 0.000 0.671 561 A CB -0.859 18.229 19.000 0.147 0.000 0.794 561 A HN 0.549 nan 8.150 nan 0.000 0.459 562 Q N -0.381 119.499 119.800 0.133 0.000 2.402 562 Q HA 0.187 4.432 4.340 -0.157 0.000 0.206 562 Q C 1.339 177.399 176.000 0.100 0.000 0.919 562 Q CA 1.034 56.895 55.803 0.096 0.000 0.923 562 Q CB -1.220 27.550 28.738 0.054 0.000 1.048 562 Q HN 0.845 nan 8.270 nan 0.000 0.515 563 T N -2.779 111.863 114.554 0.146 0.000 2.726 563 T HA 0.498 4.754 4.350 -0.157 0.000 0.294 563 T C 0.363 175.132 174.700 0.116 0.000 1.013 563 T CA 0.249 62.425 62.100 0.126 0.000 0.996 563 T CB 0.856 69.806 68.868 0.137 0.000 1.016 563 T HN 0.598 nan 8.240 nan 0.000 0.529 564 E N 1.189 121.422 120.200 0.054 0.000 2.069 564 E HA 0.437 4.692 4.350 -0.157 0.000 0.254 564 E C 0.341 176.939 176.600 -0.004 0.000 1.088 564 E CA -0.838 55.546 56.400 -0.028 0.000 1.017 564 E CB -1.015 28.665 29.700 -0.033 0.000 1.226 564 E HN 0.767 nan 8.360 nan 0.000 0.458 565 F N -0.237 119.709 119.950 -0.006 0.000 2.664 565 F HA 0.119 4.597 4.527 -0.083 0.000 0.296 565 F C 2.035 177.774 175.800 -0.102 0.000 1.125 565 F CA 0.666 58.617 58.000 -0.081 0.000 1.444 565 F CB -0.731 38.190 39.000 -0.131 0.000 1.114 565 F HN 0.316 nan 8.300 nan 0.000 0.576 566 N N 1.742 120.309 118.700 -0.222 0.000 2.258 566 N HA -0.137 4.508 4.740 -0.157 0.000 0.187 566 N C 1.925 177.536 175.510 0.168 0.000 1.012 566 N CA 1.556 54.669 53.050 0.105 0.000 0.870 566 N CB -0.954 37.612 38.487 0.132 0.000 0.977 566 N HN 0.613 nan 8.380 nan 0.000 0.434 567 A N 0.060 122.915 122.820 0.060 0.000 2.121 567 A HA -0.040 4.185 4.320 -0.157 0.000 0.218 567 A C 1.940 179.551 177.584 0.045 0.000 1.154 567 A CA 1.441 53.513 52.037 0.059 0.000 0.679 567 A CB -0.202 18.817 19.000 0.031 0.000 0.795 567 A HN 0.734 nan 8.150 nan 0.000 0.458 568 E N -1.219 118.970 120.200 -0.019 0.000 2.250 568 E HA -0.023 4.233 4.350 -0.157 0.000 0.192 568 E C 1.244 177.836 176.600 -0.013 0.000 0.986 568 E CA 0.332 56.697 56.400 -0.059 0.000 0.849 568 E CB -0.214 29.399 29.700 -0.144 0.000 0.797 568 E HN 0.634 nan 8.360 nan 0.000 0.482 569 F N 1.947 121.931 119.950 0.057 0.000 2.087 569 F HA -0.308 4.122 4.527 -0.162 0.000 0.299 569 F C 2.990 178.799 175.800 0.014 0.000 1.100 569 F CA 1.944 59.954 58.000 0.017 0.000 1.226 569 F CB -1.126 37.853 39.000 -0.035 0.000 0.983 569 F HN 0.165 nan 8.300 nan 0.000 0.479 570 E N 0.369 120.684 120.200 0.191 0.000 2.072 570 E HA -0.151 4.105 4.350 -0.157 0.000 0.191 570 E C -0.200 176.459 176.600 0.098 0.000 0.985 570 E CA 1.430 57.902 56.400 0.119 0.000 0.801 570 E CB -2.569 27.183 29.700 0.087 0.000 0.750 570 E HN 0.298 nan 8.360 nan 0.000 0.452 571 P HA 0.004 nan 4.420 nan 0.000 0.220 571 P C 1.620 178.967 177.300 0.079 0.000 1.152 571 P CA 0.613 63.755 63.100 0.070 0.000 0.812 571 P CB -0.044 31.685 31.700 0.048 0.000 0.792 572 L N -1.041 120.232 121.223 0.084 0.000 2.046 572 L HA -0.158 4.088 4.340 -0.157 0.000 0.208 572 L C 2.543 179.490 176.870 0.128 0.000 1.077 572 L CA 1.011 55.906 54.840 0.093 0.000 0.747 572 L CB -0.987 41.127 42.059 0.092 0.000 0.896 572 L HN -0.037 nan 8.230 nan 0.000 0.432 573 L N -0.041 121.262 121.223 0.133 0.000 2.012 573 L HA -0.264 3.982 4.340 -0.157 0.000 0.210 573 L C 1.887 178.832 176.870 0.125 0.000 1.073 573 L CA 2.004 56.919 54.840 0.125 0.000 0.748 573 L CB -0.534 41.585 42.059 0.099 0.000 0.891 573 L HN 0.188 nan 8.230 nan 0.000 0.431 574 D N -0.335 120.133 120.400 0.114 0.000 2.178 574 D HA -0.162 4.384 4.640 -0.157 0.000 0.201 574 D C 1.788 178.172 176.300 0.140 0.000 0.980 574 D CA 1.236 55.308 54.000 0.120 0.000 0.842 574 D CB -0.220 40.640 40.800 0.100 0.000 0.948 574 D HN 0.445 nan 8.370 nan 0.000 0.472 575 D N -0.289 120.193 120.400 0.137 0.000 2.149 575 D HA -0.022 4.524 4.640 -0.157 0.000 0.201 575 D C 2.178 178.612 176.300 0.224 0.000 0.972 575 D CA 0.255 54.348 54.000 0.154 0.000 0.835 575 D CB -0.159 40.713 40.800 0.121 0.000 0.966 575 D HN 0.188 nan 8.370 nan 0.000 0.476 576 L N 0.116 121.478 121.223 0.231 0.000 2.131 576 L HA -0.101 4.145 4.340 -0.157 0.000 0.210 576 L C 1.864 178.883 176.870 0.248 0.000 1.092 576 L CA 0.654 55.670 54.840 0.293 0.000 0.759 576 L CB -0.135 42.067 42.059 0.239 0.000 0.903 576 L HN 0.055 nan 8.230 nan 0.000 0.435 577 L N -0.816 120.536 121.223 0.215 0.000 2.645 577 L HA 0.025 4.271 4.340 -0.157 0.000 0.235 577 L C 0.303 177.308 176.870 0.225 0.000 1.150 577 L CA -0.090 54.897 54.840 0.244 0.000 0.911 577 L CB -0.490 41.729 42.059 0.266 0.000 1.077 577 L HN 0.059 nan 8.230 nan 0.000 0.438 578 T N 2.443 117.122 114.554 0.210 0.000 2.747 578 T HA 0.333 4.589 4.350 -0.157 0.000 0.301 578 T C 0.328 175.133 174.700 0.176 0.000 0.952 578 T CA -0.360 61.847 62.100 0.179 0.000 0.983 578 T CB 0.331 69.307 68.868 0.181 0.000 0.930 578 T HN 0.147 nan 8.240 nan 0.000 0.494 579 I N 2.097 122.727 120.570 0.100 0.000 2.634 579 I HA 0.410 4.485 4.170 -0.157 0.000 0.284 579 I C -2.029 174.140 176.117 0.085 0.000 1.124 579 I CA -2.120 59.199 61.300 0.032 0.000 1.417 579 I CB 0.651 38.630 38.000 -0.035 0.000 1.396 579 I HN 0.230 nan 8.210 nan 0.000 0.571 580 P HA 0.180 nan 4.420 nan 0.000 0.211 580 P C -0.317 177.057 177.300 0.124 0.000 1.833 580 P CA 0.018 63.228 63.100 0.183 0.000 0.938 580 P CB 0.234 32.114 31.700 0.302 0.000 1.808 581 V N 0.904 120.861 119.914 0.071 0.000 2.539 581 V HA 0.631 4.656 4.120 -0.157 0.000 0.292 581 V C 0.040 176.172 176.094 0.063 0.000 1.045 581 V CA -0.947 61.378 62.300 0.043 0.000 0.945 581 V CB 1.417 33.224 31.823 -0.027 0.000 0.993 581 V HN 0.332 nan 8.190 nan 0.000 0.464 582 A N 4.696 127.565 122.820 0.081 0.000 2.404 582 A HA 0.612 4.838 4.320 -0.157 0.000 0.273 582 A C 0.377 177.910 177.584 -0.085 0.000 1.144 582 A CA 0.349 52.397 52.037 0.018 0.000 0.806 582 A CB -0.116 18.895 19.000 0.017 0.000 1.080 582 A HN 1.373 nan 8.150 nan 0.000 0.509 583 E N 1.774 121.922 120.200 -0.086 0.000 2.130 583 E HA 0.479 4.734 4.350 -0.157 0.000 0.284 583 E C 0.545 177.055 176.600 -0.150 0.000 1.018 583 E CA 0.109 56.451 56.400 -0.097 0.000 0.817 583 E CB -0.509 29.157 29.700 -0.056 0.000 1.078 583 E HN 2.398 nan 8.360 nan 0.000 0.396 584 N N 0.564 119.166 118.700 -0.163 0.000 2.708 584 N HA 0.139 4.784 4.740 -0.157 0.000 0.255 584 N C 0.500 175.835 175.510 -0.291 0.000 1.046 584 N CA 0.892 53.831 53.050 -0.185 0.000 0.715 584 N CB -2.022 36.386 38.487 -0.132 0.000 0.895 584 N HN 2.148 nan 8.380 nan 0.000 0.545 585 A N -0.383 122.192 122.820 -0.409 0.000 2.496 585 A HA 0.566 4.792 4.320 -0.157 0.000 0.278 585 A C 1.375 178.605 177.584 -0.590 0.000 1.137 585 A CA 1.136 52.714 52.037 -0.764 0.000 0.805 585 A CB -1.003 17.493 19.000 -0.839 0.000 1.077 585 A HN 2.156 nan 8.150 nan 0.000 0.513 586 N N 3.419 121.781 118.700 -0.564 0.000 2.234 586 N HA 0.180 4.825 4.740 -0.157 0.000 0.227 586 N C 0.210 175.637 175.510 -0.139 0.000 1.151 586 N CA -0.633 52.250 53.050 -0.278 0.000 0.865 586 N CB -0.022 38.363 38.487 -0.170 0.000 1.066 586 N HN 0.749 nan 8.380 nan 0.000 0.515 587 W N 2.083 123.351 121.300 -0.054 0.000 2.579 587 W HA 0.024 4.589 4.660 -0.159 0.000 0.335 587 W C 0.987 177.487 176.519 -0.031 0.000 1.143 587 W CA -0.092 57.235 57.345 -0.031 0.000 1.323 587 W CB -0.268 29.159 29.460 -0.055 0.000 1.161 587 W HN 0.410 nan 8.180 nan 0.000 0.567 588 S N 1.106 116.951 115.700 0.242 0.000 2.614 588 S HA 0.523 4.898 4.470 -0.157 0.000 0.265 588 S C 1.067 175.744 174.600 0.128 0.000 1.303 588 S CA -0.281 58.002 58.200 0.138 0.000 1.000 588 S CB 1.430 64.693 63.200 0.106 0.000 0.935 588 S HN 0.555 nan 8.310 nan 0.000 0.551 589 A N 0.702 123.572 122.820 0.084 0.000 1.908 589 A HA -0.174 4.052 4.320 -0.157 0.000 0.218 589 A C 2.321 179.949 177.584 0.073 0.000 1.181 589 A CA 1.820 53.898 52.037 0.068 0.000 0.627 589 A CB -1.175 17.856 19.000 0.052 0.000 0.818 589 A HN 0.902 nan 8.150 nan 0.000 0.445 590 Q N -0.851 118.992 119.800 0.073 0.000 2.050 590 Q HA -0.223 4.023 4.340 -0.157 0.000 0.202 590 Q C 2.116 178.162 176.000 0.077 0.000 0.980 590 Q CA 1.764 57.607 55.803 0.068 0.000 0.840 590 Q CB -0.196 28.578 28.738 0.061 0.000 0.898 590 Q HN 0.785 nan 8.270 nan 0.000 0.424 591 E N 0.286 120.546 120.200 0.100 0.000 2.085 591 E HA -0.198 4.057 4.350 -0.157 0.000 0.194 591 E C 1.990 178.637 176.600 0.078 0.000 0.994 591 E CA 0.995 57.457 56.400 0.103 0.000 0.801 591 E CB -0.071 29.742 29.700 0.190 0.000 0.743 591 E HN 0.361 nan 8.360 nan 0.000 0.453 592 I N 0.542 121.168 120.570 0.094 0.000 2.202 592 I HA -0.273 3.803 4.170 -0.157 0.000 0.242 592 I C 2.638 178.850 176.117 0.158 0.000 1.091 592 I CA 1.000 62.383 61.300 0.139 0.000 1.368 592 I CB -0.147 37.886 38.000 0.055 0.000 1.058 592 I HN 0.098 nan 8.210 nan 0.000 0.410 593 Q N 0.915 120.774 119.800 0.098 0.000 2.135 593 Q HA -0.284 3.962 4.340 -0.157 0.000 0.204 593 Q C 2.110 178.141 176.000 0.052 0.000 0.981 593 Q CA 1.812 57.660 55.803 0.075 0.000 0.856 593 Q CB -0.233 28.540 28.738 0.059 0.000 0.902 593 Q HN 0.494 nan 8.270 nan 0.000 0.425 594 Q N -0.562 119.265 119.800 0.045 0.000 2.083 594 Q HA -0.211 4.035 4.340 -0.157 0.000 0.198 594 Q C 1.729 177.715 176.000 -0.023 0.000 0.969 594 Q CA 1.524 57.341 55.803 0.023 0.000 0.838 594 Q CB -0.090 28.669 28.738 0.036 0.000 0.900 594 Q HN 0.331 nan 8.270 nan 0.000 0.436 595 E N 0.546 120.719 120.200 -0.044 0.000 2.051 595 E HA -0.200 4.056 4.350 -0.157 0.000 0.192 595 E C 1.858 178.343 176.600 -0.191 0.000 0.991 595 E CA 1.212 57.502 56.400 -0.184 0.000 0.799 595 E CB -0.431 29.100 29.700 -0.281 0.000 0.748 595 E HN 0.385 nan 8.360 nan 0.000 0.449 596 L N 0.981 122.164 121.223 -0.067 0.000 1.970 596 L HA -0.187 4.059 4.340 -0.157 0.000 0.212 596 L C 1.657 178.487 176.870 -0.068 0.000 1.071 596 L CA 2.376 57.190 54.840 -0.043 0.000 0.751 596 L CB -0.899 41.194 42.059 0.057 0.000 0.889 596 L HN 0.100 nan 8.230 nan 0.000 0.432 597 D N -0.453 119.923 120.400 -0.039 0.000 2.123 597 D HA -0.213 4.333 4.640 -0.157 0.000 0.196 597 D C 2.053 178.306 176.300 -0.078 0.000 0.992 597 D CA 1.184 55.159 54.000 -0.042 0.000 0.833 597 D CB -0.371 40.418 40.800 -0.018 0.000 0.954 597 D HN 0.451 nan 8.370 nan 0.000 0.455 598 N N 0.615 119.256 118.700 -0.097 0.000 2.084 598 N HA -0.129 4.517 4.740 -0.157 0.000 0.190 598 N C 1.470 176.893 175.510 -0.145 0.000 1.030 598 N CA 0.804 53.778 53.050 -0.127 0.000 0.849 598 N CB -0.052 38.360 38.487 -0.124 0.000 1.012 598 N HN 0.113 nan 8.380 nan 0.000 0.423 599 N N 0.720 119.316 118.700 -0.174 0.000 2.084 599 N HA -0.110 4.536 4.740 -0.157 0.000 0.190 599 N C 1.946 177.372 175.510 -0.140 0.000 1.030 599 N CA 0.679 53.617 53.050 -0.186 0.000 0.849 599 N CB -0.710 37.638 38.487 -0.233 0.000 1.012 599 N HN 0.044 nan 8.380 nan 0.000 0.423 600 V N 1.703 121.544 119.914 -0.121 0.000 2.287 600 V HA -0.202 3.823 4.120 -0.157 0.000 0.248 600 V C 2.609 178.661 176.094 -0.071 0.000 1.053 600 V CA 1.550 63.789 62.300 -0.102 0.000 1.027 600 V CB -0.521 31.254 31.823 -0.080 0.000 0.646 600 V HN 0.374 nan 8.190 nan 0.000 0.447 601 Q N 0.283 120.045 119.800 -0.065 0.000 2.124 601 Q HA -0.161 4.084 4.340 -0.157 0.000 0.202 601 Q C 2.245 178.225 176.000 -0.033 0.000 0.977 601 Q CA 2.125 57.902 55.803 -0.043 0.000 0.850 601 Q CB -0.564 28.135 28.738 -0.065 0.000 0.901 601 Q HN 0.643 nan 8.270 nan 0.000 0.429 602 G N 0.943 109.708 108.800 -0.060 0.000 2.422 602 G HA2 -0.197 3.669 3.960 -0.157 0.000 0.218 602 G HA3 -0.197 3.669 3.960 -0.157 0.000 0.218 602 G C 1.606 176.507 174.900 0.002 0.000 1.146 602 G CA 0.715 45.791 45.100 -0.042 0.000 0.769 602 G HN 0.360 nan 8.290 nan 0.000 0.547 603 I N 0.242 120.794 120.570 -0.031 0.000 2.142 603 I HA -0.140 3.936 4.170 -0.157 0.000 0.240 603 I C 2.769 178.910 176.117 0.040 0.000 1.078 603 I CA 0.759 62.051 61.300 -0.013 0.000 1.343 603 I CB -0.274 37.674 38.000 -0.085 0.000 1.046 603 I HN 0.122 nan 8.210 nan 0.000 0.405 604 L N 0.429 121.661 121.223 0.014 0.000 1.989 604 L HA -0.192 4.054 4.340 -0.157 0.000 0.211 604 L C 2.717 179.652 176.870 0.108 0.000 1.071 604 L CA 1.806 56.679 54.840 0.054 0.000 0.749 604 L CB -1.308 40.796 42.059 0.074 0.000 0.890 604 L HN 0.358 nan 8.230 nan 0.000 0.431 605 G N -1.249 107.613 108.800 0.102 0.000 2.469 605 G HA2 -0.361 3.505 3.960 -0.157 0.000 0.219 605 G HA3 -0.361 3.505 3.960 -0.157 0.000 0.219 605 G C 1.468 176.466 174.900 0.164 0.000 1.150 605 G CA 1.143 46.312 45.100 0.116 0.000 0.763 605 G HN 0.370 nan 8.290 nan 0.000 0.561 606 Y N 0.659 120.995 120.300 0.060 0.000 2.231 606 Y HA 0.063 4.520 4.550 -0.155 0.000 0.294 606 Y C 2.856 178.843 175.900 0.144 0.000 1.120 606 Y CA 1.108 59.267 58.100 0.097 0.000 1.141 606 Y CB -0.178 38.319 38.460 0.062 0.000 1.022 606 Y HN 0.018 nan 8.280 nan 0.000 0.523 607 V N -0.655 119.340 119.914 0.134 0.000 2.392 607 V HA -0.284 3.741 4.120 -0.157 0.000 0.249 607 V C 2.389 178.527 176.094 0.074 0.000 1.059 607 V CA 1.713 64.045 62.300 0.054 0.000 1.051 607 V CB -0.966 30.864 31.823 0.011 0.000 0.658 607 V HN 0.416 nan 8.190 nan 0.000 0.455 608 V N 0.114 120.087 119.914 0.098 0.000 2.407 608 V HA -0.243 3.783 4.120 -0.157 0.000 0.248 608 V C 2.626 178.789 176.094 0.115 0.000 1.055 608 V CA 2.104 64.480 62.300 0.125 0.000 1.049 608 V CB -0.456 31.492 31.823 0.209 0.000 0.662 608 V HN 0.507 nan 8.190 nan 0.000 0.455 609 R N -1.917 118.636 120.500 0.089 0.000 2.153 609 R HA -0.126 4.120 4.340 -0.157 0.000 0.218 609 R C 1.999 178.300 176.300 0.001 0.000 1.072 609 R CA 1.615 57.743 56.100 0.046 0.000 0.990 609 R CB -0.350 29.956 30.300 0.010 0.000 0.889 609 R HN 0.702 nan 8.270 nan 0.000 0.452 610 W N 0.597 121.767 121.300 -0.217 0.000 2.413 610 W HA -0.167 4.398 4.660 -0.159 0.000 0.315 610 W C 1.997 178.458 176.519 -0.098 0.000 1.186 610 W CA 0.983 58.196 57.345 -0.219 0.000 1.326 610 W CB -0.155 29.105 29.460 -0.333 0.000 1.153 610 W HN -0.265 nan 8.180 nan 0.000 0.489 611 V N 0.480 120.633 119.914 0.399 0.000 2.323 611 V HA -0.258 3.768 4.120 -0.157 0.000 0.244 611 V C 1.654 177.839 176.094 0.152 0.000 1.041 611 V CA 2.238 64.734 62.300 0.326 0.000 1.025 611 V CB -0.702 31.265 31.823 0.239 0.000 0.656 611 V HN 0.167 nan 8.190 nan 0.000 0.451 612 E N -0.935 119.319 120.200 0.090 0.000 2.442 612 E HA -0.042 4.214 4.350 -0.157 0.000 0.195 612 E C 1.762 178.361 176.600 -0.002 0.000 1.030 612 E CA 0.339 56.757 56.400 0.029 0.000 0.869 612 E CB 0.228 29.919 29.700 -0.016 0.000 0.857 612 E HN 0.642 nan 8.360 nan 0.000 0.505 613 Q N -1.280 118.511 119.800 -0.016 0.000 2.179 613 Q HA 0.166 4.412 4.340 -0.157 0.000 0.244 613 Q C 0.619 176.547 176.000 -0.120 0.000 0.808 613 Q CA 0.331 56.105 55.803 -0.048 0.000 0.955 613 Q CB 1.803 30.529 28.738 -0.019 0.000 1.141 613 Q HN 0.266 nan 8.270 nan 0.000 0.485 614 G N 2.095 110.782 108.800 -0.188 0.000 2.182 614 G HA2 -0.254 3.612 3.960 -0.157 0.000 0.248 614 G HA3 -0.254 3.612 3.960 -0.157 0.000 0.248 614 G C -0.120 174.521 174.900 -0.431 0.000 1.042 614 G CA 0.027 44.910 45.100 -0.362 0.000 0.775 614 G HN 0.280 nan 8.290 nan 0.000 0.501 615 I N 0.651 120.995 120.570 -0.376 0.000 2.330 615 I HA 0.500 4.575 4.170 -0.157 0.000 0.289 615 I C 1.501 177.367 176.117 -0.420 0.000 1.001 615 I CA 0.105 61.226 61.300 -0.298 0.000 1.193 615 I CB 1.622 39.543 38.000 -0.133 0.000 1.345 615 I HN 0.075 nan 8.210 nan 0.000 0.461 616 G N 4.489 113.086 108.800 -0.337 0.000 2.939 616 G HA2 0.110 3.976 3.960 -0.157 0.000 0.210 616 G HA3 0.110 3.976 3.960 -0.157 0.000 0.210 616 G C 0.040 175.091 174.900 0.253 0.000 1.160 616 G CA 0.156 45.193 45.100 -0.106 0.000 0.770 616 G HN 0.590 nan 8.290 nan 0.000 0.543 617 C N 0.359 119.755 119.300 0.161 0.000 3.247 617 C HA 0.663 5.028 4.460 -0.157 0.000 0.375 617 C C -0.738 174.354 174.990 0.170 0.000 1.102 617 C CA 0.073 59.240 59.018 0.248 0.000 1.227 617 C CB 0.796 28.663 27.740 0.212 0.000 1.586 617 C HN 0.846 nan 8.230 nan 0.000 0.544 618 S N 1.729 117.532 115.700 0.172 0.000 2.656 618 S HA 0.737 5.112 4.470 -0.157 0.000 0.265 618 S C -0.821 173.842 174.600 0.105 0.000 1.110 618 S CA -0.043 58.234 58.200 0.128 0.000 0.821 618 S CB 0.851 64.118 63.200 0.112 0.000 1.099 618 S HN 1.746 nan 8.310 nan 0.000 0.471 619 K N 0.585 121.028 120.400 0.071 0.000 2.294 619 K HA 0.628 4.853 4.320 -0.157 0.000 0.288 619 K C -0.329 176.305 176.600 0.056 0.000 1.072 619 K CA -0.201 56.118 56.287 0.054 0.000 0.960 619 K CB -0.379 32.141 32.500 0.034 0.000 1.043 619 K HN 0.913 nan 8.250 nan 0.000 0.455 620 V N 6.069 126.024 119.914 0.067 0.000 2.394 620 V HA 0.333 4.358 4.120 -0.157 0.000 0.282 620 V C -2.161 173.950 176.094 0.028 0.000 1.031 620 V CA -2.278 60.057 62.300 0.059 0.000 0.881 620 V CB 1.556 33.442 31.823 0.105 0.000 0.982 620 V HN 0.754 nan 8.190 nan 0.000 0.451 621 P HA 0.085 nan 4.420 nan 0.000 0.264 621 P C -0.609 176.678 177.300 -0.021 0.000 1.193 621 P CA 0.070 63.167 63.100 -0.006 0.000 0.763 621 P CB 0.505 32.195 31.700 -0.017 0.000 0.810 622 D N 2.696 123.074 120.400 -0.036 0.000 2.507 622 D HA 0.067 4.612 4.640 -0.157 0.000 0.280 622 D C 1.391 177.592 176.300 -0.164 0.000 1.219 622 D CA -0.560 53.388 54.000 -0.086 0.000 1.085 622 D CB 0.315 41.066 40.800 -0.082 0.000 1.134 622 D HN 0.195 nan 8.370 nan 0.000 0.583 623 I N -0.627 119.754 120.570 -0.316 0.000 2.264 623 I HA -0.273 3.803 4.170 -0.157 0.000 0.248 623 I C 0.783 176.593 176.117 -0.512 0.000 1.111 623 I CA 1.245 62.276 61.300 -0.448 0.000 1.382 623 I CB -0.241 37.465 38.000 -0.489 0.000 1.060 623 I HN 0.346 nan 8.210 nan 0.000 0.418 624 H N 0.723 119.785 119.070 -0.013 0.000 2.524 624 H HA 0.275 4.736 4.556 -0.158 0.000 0.299 624 H C 1.032 176.357 175.328 -0.005 0.000 1.074 624 H CA 0.632 56.676 56.048 -0.008 0.000 1.115 624 H CB -0.630 29.126 29.762 -0.009 0.000 1.522 624 H HN 0.445 nan 8.280 nan 0.000 0.543 625 N N 0.077 118.782 118.700 0.007 0.000 2.741 625 N HA -0.192 4.453 4.740 -0.157 0.000 0.250 625 N C 0.007 175.539 175.510 0.036 0.000 1.115 625 N CA 0.794 53.855 53.050 0.017 0.000 0.724 625 N CB -2.361 36.136 38.487 0.017 0.000 1.090 625 N HN 0.157 nan 8.380 nan 0.000 0.558 626 V N -0.035 119.907 119.914 0.048 0.000 2.461 626 V HA 0.734 4.760 4.120 -0.157 0.000 0.275 626 V C 1.075 177.183 176.094 0.023 0.000 1.047 626 V CA -0.435 61.894 62.300 0.049 0.000 0.955 626 V CB 1.132 32.998 31.823 0.071 0.000 0.988 626 V HN 1.071 nan 8.190 nan 0.000 0.471 627 A N 7.064 129.900 122.820 0.025 0.000 2.409 627 A HA 0.662 4.887 4.320 -0.157 0.000 0.267 627 A C -0.274 177.317 177.584 0.011 0.000 1.127 627 A CA -0.096 51.954 52.037 0.021 0.000 0.795 627 A CB -0.042 18.975 19.000 0.029 0.000 1.061 627 A HN 0.797 nan 8.150 nan 0.000 0.502 631 D N -1.055 119.223 120.400 -0.204 0.000 2.895 631 D HA 0.297 4.842 4.640 -0.157 0.000 0.320 631 D C 0.533 176.550 176.300 -0.471 0.000 1.249 631 D CA -0.712 53.168 54.000 -0.199 0.000 0.997 631 D CB 0.281 41.145 40.800 0.107 0.000 1.430 631 D HN 0.350 nan 8.370 nan 0.000 0.558 632 R N -0.284 120.150 120.500 -0.109 0.000 2.133 632 R HA -0.153 4.093 4.340 -0.157 0.000 0.247 632 R C 2.015 178.236 176.300 -0.131 0.000 1.151 632 R CA 1.908 57.959 56.100 -0.082 0.000 0.971 632 R CB -0.834 29.526 30.300 0.100 0.000 0.866 632 R HN 0.549 nan 8.270 nan 0.000 0.447 633 A N 1.145 123.909 122.820 -0.094 0.000 1.892 633 A HA -0.250 3.975 4.320 -0.157 0.000 0.218 633 A C 2.400 179.884 177.584 -0.167 0.000 1.188 633 A CA 2.443 54.418 52.037 -0.103 0.000 0.631 633 A CB -1.132 17.803 19.000 -0.108 0.000 0.822 633 A HN 0.579 nan 8.150 nan 0.000 0.447 634 T N -2.157 112.260 114.554 -0.227 0.000 2.867 634 T HA -0.107 4.149 4.350 -0.157 0.000 0.268 634 T C 1.748 176.319 174.700 -0.215 0.000 1.057 634 T CA 1.464 63.428 62.100 -0.226 0.000 1.136 634 T CB -0.437 68.285 68.868 -0.244 0.000 0.874 634 T HN 0.275 nan 8.240 nan 0.000 0.466 635 L N 1.226 122.292 121.223 -0.262 0.000 2.056 635 L HA 0.188 4.434 4.340 -0.157 0.000 0.207 635 L C 2.804 179.595 176.870 -0.131 0.000 1.078 635 L CA 1.681 56.405 54.840 -0.193 0.000 0.749 635 L CB -0.775 41.168 42.059 -0.193 0.000 0.901 635 L HN 0.233 nan 8.230 nan 0.000 0.433 636 R N -0.173 120.258 120.500 -0.114 0.000 2.083 636 R HA -0.179 4.066 4.340 -0.157 0.000 0.237 636 R C 2.282 178.528 176.300 -0.090 0.000 1.137 636 R CA 2.277 58.325 56.100 -0.086 0.000 0.951 636 R CB -0.455 29.810 30.300 -0.059 0.000 0.851 636 R HN 0.489 nan 8.270 nan 0.000 0.434 637 I N 0.363 120.874 120.570 -0.098 0.000 2.127 637 I HA -0.285 3.790 4.170 -0.157 0.000 0.241 637 I C 2.438 178.507 176.117 -0.079 0.000 1.075 637 I CA 1.482 62.734 61.300 -0.079 0.000 1.334 637 I CB -0.408 37.539 38.000 -0.089 0.000 1.040 637 I HN 0.188 nan 8.210 nan 0.000 0.405 638 S N 0.703 116.333 115.700 -0.117 0.000 2.359 638 S HA -0.221 4.155 4.470 -0.157 0.000 0.224 638 S C 2.230 176.762 174.600 -0.113 0.000 1.035 638 S CA 1.974 60.093 58.200 -0.135 0.000 1.018 638 S CB -0.439 62.671 63.200 -0.150 0.000 0.876 638 S HN 0.658 nan 8.310 nan 0.000 0.448 639 S N 1.528 117.162 115.700 -0.110 0.000 2.356 639 S HA -0.144 4.232 4.470 -0.157 0.000 0.223 639 S C 1.841 176.389 174.600 -0.086 0.000 1.032 639 S CA 0.880 59.012 58.200 -0.113 0.000 1.005 639 S CB -0.542 62.593 63.200 -0.108 0.000 0.867 639 S HN 0.370 nan 8.310 nan 0.000 0.449 640 Q N 0.457 120.223 119.800 -0.056 0.000 2.167 640 Q HA -0.085 4.161 4.340 -0.157 0.000 0.202 640 Q C 2.137 178.109 176.000 -0.046 0.000 0.970 640 Q CA 1.316 57.104 55.803 -0.025 0.000 0.855 640 Q CB -0.735 28.002 28.738 -0.002 0.000 0.911 640 Q HN 0.780 nan 8.270 nan 0.000 0.438 641 H N 0.900 119.875 119.070 -0.159 0.000 2.293 641 H HA -0.049 4.412 4.556 -0.158 0.000 0.300 641 H C 2.085 177.250 175.328 -0.273 0.000 1.082 641 H CA 1.418 57.310 56.048 -0.260 0.000 1.308 641 H CB 0.029 29.565 29.762 -0.377 0.000 1.375 641 H HN 0.180 nan 8.280 nan 0.000 0.495 642 I N 0.656 121.162 120.570 -0.107 0.000 2.226 642 I HA -0.248 3.827 4.170 -0.157 0.000 0.245 642 I C 2.982 179.070 176.117 -0.049 0.000 1.100 642 I CA 0.955 62.201 61.300 -0.090 0.000 1.374 642 I CB -0.498 37.419 38.000 -0.138 0.000 1.057 642 I HN 0.227 nan 8.210 nan 0.000 0.413 643 A N 1.034 123.812 122.820 -0.071 0.000 1.940 643 A HA -0.272 3.954 4.320 -0.157 0.000 0.219 643 A C 2.213 179.816 177.584 0.032 0.000 1.176 643 A CA 2.119 54.140 52.037 -0.026 0.000 0.631 643 A CB -0.915 18.076 19.000 -0.015 0.000 0.814 643 A HN 0.553 nan 8.150 nan 0.000 0.446 644 N N -1.320 117.398 118.700 0.031 0.000 2.084 644 N HA -0.201 4.444 4.740 -0.157 0.000 0.190 644 N C 1.674 177.378 175.510 0.323 0.000 1.030 644 N CA 1.738 54.872 53.050 0.141 0.000 0.849 644 N CB -0.294 38.224 38.487 0.053 0.000 1.012 644 N HN 0.590 nan 8.380 nan 0.000 0.423 645 W N 1.589 122.857 121.300 -0.055 0.000 2.402 645 W HA 0.117 4.683 4.660 -0.156 0.000 0.286 645 W C 2.383 178.916 176.519 0.023 0.000 1.221 645 W CA 0.215 57.550 57.345 -0.017 0.000 1.257 645 W CB -0.768 28.643 29.460 -0.080 0.000 1.120 645 W HN 0.079 nan 8.180 nan 0.000 0.551 646 L N -0.369 120.985 121.223 0.218 0.000 2.044 646 L HA -0.179 4.066 4.340 -0.157 0.000 0.205 646 L C 2.646 179.552 176.870 0.059 0.000 1.075 646 L CA 1.418 56.336 54.840 0.129 0.000 0.747 646 L CB -0.756 41.374 42.059 0.118 0.000 0.903 646 L HN -0.178 nan 8.230 nan 0.000 0.435 647 R N -0.149 120.358 120.500 0.012 0.000 2.096 647 R HA -0.200 4.045 4.340 -0.157 0.000 0.240 647 R C 2.012 178.115 176.300 -0.329 0.000 1.139 647 R CA 1.724 57.725 56.100 -0.164 0.000 0.952 647 R CB -0.488 29.682 30.300 -0.216 0.000 0.854 647 R HN 0.435 nan 8.270 nan 0.000 0.436 648 H N -1.281 117.814 119.070 0.042 0.000 2.533 648 H HA 0.230 4.692 4.556 -0.157 0.000 0.271 648 H C 0.798 176.119 175.328 -0.011 0.000 1.000 648 H CA 0.649 56.705 56.048 0.014 0.000 1.149 648 H CB 0.376 30.149 29.762 0.019 0.000 1.375 648 H HN 0.562 nan 8.280 nan 0.000 0.582 649 G N 1.590 110.416 108.800 0.043 0.000 2.153 649 G HA2 -0.271 3.594 3.960 -0.157 0.000 0.252 649 G HA3 -0.271 3.594 3.960 -0.157 0.000 0.252 649 G C 1.098 175.992 174.900 -0.010 0.000 0.994 649 G CA 0.487 45.599 45.100 0.019 0.000 0.698 649 G HN 0.349 nan 8.290 nan 0.000 0.521 650 I N -0.712 119.829 120.570 -0.050 0.000 2.500 650 I HA 0.223 4.299 4.170 -0.157 0.000 0.252 650 I C 1.639 177.705 176.117 -0.084 0.000 1.142 650 I CA 1.177 62.362 61.300 -0.190 0.000 1.451 650 I CB -0.684 36.923 38.000 -0.654 0.000 1.093 650 I HN 0.242 nan 8.210 nan 0.000 0.430 651 L N -0.235 121.010 121.223 0.035 0.000 2.309 651 L HA 0.408 4.654 4.340 -0.157 0.000 0.261 651 L C 0.206 177.127 176.870 0.086 0.000 1.021 651 L CA -0.530 54.365 54.840 0.093 0.000 0.823 651 L CB 2.183 44.354 42.059 0.186 0.000 1.366 651 L HN 0.043 nan 8.230 nan 0.000 0.423 652 T N -3.431 111.175 114.554 0.088 0.000 2.942 652 T HA 0.303 4.559 4.350 -0.157 0.000 0.289 652 T C 0.604 175.379 174.700 0.125 0.000 1.044 652 T CA -0.766 61.386 62.100 0.087 0.000 1.023 652 T CB 2.172 71.075 68.868 0.060 0.000 1.123 652 T HN 0.647 nan 8.240 nan 0.000 0.512 653 K N 0.442 120.918 120.400 0.127 0.000 2.009 653 K HA -0.161 4.064 4.320 -0.157 0.000 0.210 653 K C 2.620 179.309 176.600 0.149 0.000 1.049 653 K CA 2.258 58.651 56.287 0.177 0.000 0.929 653 K CB -0.895 31.637 32.500 0.053 0.000 0.714 653 K HN 0.825 nan 8.250 nan 0.000 0.440 654 E N 1.115 121.361 120.200 0.076 0.000 2.085 654 E HA -0.293 3.963 4.350 -0.157 0.000 0.194 654 E C 1.804 178.451 176.600 0.078 0.000 0.994 654 E CA 1.732 58.168 56.400 0.059 0.000 0.801 654 E CB -0.793 28.928 29.700 0.035 0.000 0.743 654 E HN 0.647 nan 8.360 nan 0.000 0.453 655 Q N -0.256 119.594 119.800 0.082 0.000 2.061 655 Q HA -0.135 4.111 4.340 -0.157 0.000 0.204 655 Q C 2.430 178.481 176.000 0.085 0.000 0.984 655 Q CA 1.953 57.802 55.803 0.077 0.000 0.846 655 Q CB -0.265 28.519 28.738 0.077 0.000 0.902 655 Q HN 0.477 nan 8.270 nan 0.000 0.421 656 V N 0.840 120.823 119.914 0.115 0.000 2.343 656 V HA -0.287 3.738 4.120 -0.157 0.000 0.247 656 V C 2.257 178.422 176.094 0.119 0.000 1.051 656 V CA 2.095 64.455 62.300 0.100 0.000 1.036 656 V CB -0.591 31.310 31.823 0.129 0.000 0.654 656 V HN 0.434 nan 8.190 nan 0.000 0.451 657 Q N -0.551 119.364 119.800 0.190 0.000 2.124 657 Q HA -0.166 4.080 4.340 -0.157 0.000 0.202 657 Q C 2.338 178.378 176.000 0.067 0.000 0.977 657 Q CA 1.746 57.637 55.803 0.146 0.000 0.850 657 Q CB -0.319 28.480 28.738 0.101 0.000 0.901 657 Q HN 0.699 nan 8.270 nan 0.000 0.429 658 A N -0.348 122.508 122.820 0.059 0.000 1.970 658 A HA -0.117 4.109 4.320 -0.157 0.000 0.216 658 A C 2.098 179.707 177.584 0.042 0.000 1.170 658 A CA 1.353 53.416 52.037 0.043 0.000 0.645 658 A CB -0.486 18.542 19.000 0.047 0.000 0.816 658 A HN 0.281 nan 8.150 nan 0.000 0.447 659 S N -0.324 115.401 115.700 0.041 0.000 2.356 659 S HA -0.106 4.270 4.470 -0.157 0.000 0.223 659 S C 1.931 176.549 174.600 0.029 0.000 1.032 659 S CA 1.413 59.631 58.200 0.030 0.000 1.005 659 S CB -0.481 62.727 63.200 0.014 0.000 0.867 659 S HN 0.496 nan 8.310 nan 0.000 0.449 660 L N 1.099 122.333 121.223 0.018 0.000 2.012 660 L HA -0.144 4.102 4.340 -0.157 0.000 0.210 660 L C 2.691 179.641 176.870 0.133 0.000 1.073 660 L CA 1.725 56.584 54.840 0.032 0.000 0.748 660 L CB -0.514 41.517 42.059 -0.047 0.000 0.891 660 L HN 0.394 nan 8.230 nan 0.000 0.431 661 E N -0.473 119.733 120.200 0.010 0.000 2.106 661 E HA -0.090 4.165 4.350 -0.157 0.000 0.192 661 E C 0.639 177.326 176.600 0.146 0.000 0.984 661 E CA 0.220 56.562 56.400 -0.096 0.000 0.806 661 E CB 0.035 29.641 29.700 -0.156 0.000 0.750 661 E HN 0.482 nan 8.360 nan 0.000 0.458 665 K N 0.217 120.729 120.400 0.188 0.000 2.057 665 K HA 0.223 4.448 4.320 -0.157 0.000 0.206 665 K C 1.981 178.632 176.600 0.085 0.000 1.050 665 K CA 1.892 58.253 56.287 0.123 0.000 0.935 665 K CB -1.361 31.200 32.500 0.102 0.000 0.715 665 K HN 0.670 nan 8.250 nan 0.000 0.439 666 V N 1.011 120.969 119.914 0.074 0.000 2.343 666 V HA -0.234 3.792 4.120 -0.157 0.000 0.247 666 V C 2.505 178.616 176.094 0.028 0.000 1.051 666 V CA 1.786 64.109 62.300 0.038 0.000 1.036 666 V CB -0.181 31.657 31.823 0.025 0.000 0.654 666 V HN 0.404 nan 8.190 nan 0.000 0.451 667 V N 0.134 120.083 119.914 0.058 0.000 2.343 667 V HA -0.246 3.779 4.120 -0.157 0.000 0.247 667 V C 2.259 178.344 176.094 -0.014 0.000 1.051 667 V CA 2.130 64.456 62.300 0.043 0.000 1.036 667 V CB -0.699 31.195 31.823 0.119 0.000 0.654 667 V HN 0.561 nan 8.190 nan 0.000 0.451 668 D N -0.501 119.951 120.400 0.087 0.000 2.178 668 D HA -0.178 4.368 4.640 -0.157 0.000 0.201 668 D C 2.300 178.570 176.300 -0.050 0.000 0.980 668 D CA 1.102 55.163 54.000 0.102 0.000 0.842 668 D CB -0.142 40.781 40.800 0.206 0.000 0.948 668 D HN 0.527 nan 8.370 nan 0.000 0.472 669 Q N 0.138 119.921 119.800 -0.028 0.000 2.046 669 Q HA -0.112 4.133 4.340 -0.157 0.000 0.200 669 Q C 2.200 178.149 176.000 -0.084 0.000 0.975 669 Q CA 0.892 56.671 55.803 -0.039 0.000 0.836 669 Q CB -0.040 28.690 28.738 -0.014 0.000 0.896 669 Q HN 0.394 nan 8.270 nan 0.000 0.428 670 Q N 0.075 119.815 119.800 -0.101 0.000 2.226 670 Q HA -0.092 4.153 4.340 -0.157 0.000 0.204 670 Q C 0.993 176.876 176.000 -0.194 0.000 0.975 670 Q CA 0.780 56.513 55.803 -0.116 0.000 0.866 670 Q CB 0.112 28.795 28.738 -0.091 0.000 0.915 670 Q HN 0.326 nan 8.270 nan 0.000 0.440 671 N N -0.706 117.776 118.700 -0.362 0.000 2.203 671 N HA 0.170 4.816 4.740 -0.157 0.000 0.207 671 N C 0.902 176.195 175.510 -0.361 0.000 1.130 671 N CA 0.374 53.106 53.050 -0.529 0.000 0.861 671 N CB 0.650 38.296 38.487 -1.402 0.000 1.005 671 N HN 0.134 nan 8.380 nan 0.000 0.507 672 A N 0.831 123.539 122.820 -0.186 0.000 1.958 672 A HA -0.129 4.097 4.320 -0.157 0.000 0.221 672 A C 2.155 179.728 177.584 -0.019 0.000 1.178 672 A CA 2.074 54.077 52.037 -0.056 0.000 0.642 672 A CB -0.920 18.065 19.000 -0.025 0.000 0.816 672 A HN 0.321 nan 8.150 nan 0.000 0.453 673 G N -1.339 107.440 108.800 -0.034 0.000 2.848 673 G HA2 0.054 3.920 3.960 -0.157 0.000 0.208 673 G HA3 0.054 3.920 3.960 -0.157 0.000 0.208 673 G C 0.241 175.146 174.900 0.009 0.000 1.152 673 G CA 0.551 45.646 45.100 -0.008 0.000 0.789 673 G HN 0.427 nan 8.290 nan 0.000 0.531 674 D N 0.794 121.201 120.400 0.011 0.000 2.365 674 D HA 0.201 4.747 4.640 -0.157 0.000 0.237 674 D C -1.022 175.342 176.300 0.106 0.000 1.190 674 D CA -2.215 51.816 54.000 0.052 0.000 0.867 674 D CB 2.036 42.862 40.800 0.043 0.000 1.050 674 D HN 0.055 nan 8.370 nan 0.000 0.491 675 P HA -0.055 nan 4.420 nan 0.000 0.221 675 P C 0.855 178.194 177.300 0.064 0.000 1.150 675 P CA 0.483 63.619 63.100 0.060 0.000 0.800 675 P CB 0.268 31.988 31.700 0.034 0.000 0.787 676 A N -1.862 121.003 122.820 0.075 0.000 2.167 676 A HA -0.050 4.176 4.320 -0.157 0.000 0.214 676 A C 0.896 178.536 177.584 0.095 0.000 1.151 676 A CA 0.129 52.203 52.037 0.062 0.000 0.735 676 A CB -1.149 17.882 19.000 0.052 0.000 0.802 676 A HN 0.202 nan 8.150 nan 0.000 0.467 677 Y N 0.419 120.719 120.300 -0.000 0.000 2.310 677 Y HA 0.511 4.966 4.550 -0.158 0.000 0.326 677 Y C 0.355 176.256 175.900 0.003 0.000 1.151 677 Y CA -0.112 57.990 58.100 0.004 0.000 1.195 677 Y CB 0.569 39.033 38.460 0.007 0.000 1.210 677 Y HN 0.283 nan 8.280 nan 0.000 0.483 678 R N 6.340 126.448 120.500 -0.654 0.000 2.480 678 R HA 0.581 4.827 4.340 -0.157 0.000 0.306 678 R C -2.951 172.948 176.300 -0.669 0.000 0.958 678 R CA -2.011 53.825 56.100 -0.440 0.000 0.861 678 R CB -0.224 29.933 30.300 -0.238 0.000 1.171 678 R HN 0.635 nan 8.270 nan 0.000 0.445 682 G N 1.139 109.289 108.800 -1.084 0.000 2.212 682 G HA2 -0.259 3.607 3.960 -0.157 0.000 0.266 682 G HA3 -0.259 3.607 3.960 -0.157 0.000 0.266 682 G C 0.271 174.867 174.900 -0.508 0.000 0.978 682 G CA 0.810 45.538 45.100 -0.620 0.000 0.632 682 G HN 1.116 nan 8.290 nan 0.000 0.537 683 N N -0.082 118.251 118.700 -0.611 0.000 2.235 683 N HA 0.255 4.900 4.740 -0.157 0.000 0.231 683 N C 1.179 176.549 175.510 -0.233 0.000 1.177 683 N CA -0.184 52.672 53.050 -0.322 0.000 0.874 683 N CB -0.030 38.326 38.487 -0.217 0.000 1.097 683 N HN 0.219 nan 8.380 nan 0.000 0.518 684 F N 2.038 121.808 119.950 -0.301 0.000 2.154 684 F HA -0.143 4.289 4.527 -0.157 0.000 0.301 684 F C 2.459 178.193 175.800 -0.109 0.000 1.087 684 F CA 0.620 58.374 58.000 -0.411 0.000 1.274 684 F CB -1.001 37.658 39.000 -0.569 0.000 1.009 684 F HN 0.100 nan 8.300 nan 0.000 0.485 685 A N 0.487 123.351 122.820 0.072 0.000 2.015 685 A HA -0.191 4.034 4.320 -0.157 0.000 0.219 685 A C 1.631 179.261 177.584 0.078 0.000 1.163 685 A CA 1.861 53.945 52.037 0.077 0.000 0.646 685 A CB -0.968 18.055 19.000 0.039 0.000 0.806 685 A HN 0.583 nan 8.150 nan 0.000 0.448 686 N N -2.380 116.350 118.700 0.049 0.000 2.159 686 N HA 0.130 4.775 4.740 -0.157 0.000 0.217 686 N C 0.205 175.756 175.510 0.067 0.000 1.223 686 N CA 0.470 53.557 53.050 0.061 0.000 0.896 686 N CB 0.112 38.616 38.487 0.028 0.000 1.064 686 N HN 0.059 nan 8.380 nan 0.000 0.518 687 S N -0.023 115.718 115.700 0.068 0.000 2.455 687 S HA 0.151 4.526 4.470 -0.157 0.000 0.278 687 S C 1.267 175.904 174.600 0.061 0.000 1.216 687 S CA -0.647 57.595 58.200 0.071 0.000 1.055 687 S CB -0.197 63.065 63.200 0.103 0.000 0.939 687 S HN 0.413 nan 8.310 nan 0.000 0.494 688 C N 4.612 123.949 119.300 0.062 0.000 2.429 688 C HA -0.073 4.293 4.460 -0.157 0.000 0.277 688 C C 2.858 177.764 174.990 -0.140 0.000 1.262 688 C CA 1.103 60.154 59.018 0.055 0.000 1.733 688 C CB -1.696 26.191 27.740 0.246 0.000 2.010 688 C HN 0.999 nan 8.230 nan 0.000 0.483 689 A N -0.529 122.276 122.820 -0.026 0.000 1.898 689 A HA -0.157 4.068 4.320 -0.157 0.000 0.216 689 A C 1.937 179.475 177.584 -0.076 0.000 1.181 689 A CA 1.495 53.509 52.037 -0.038 0.000 0.620 689 A CB -0.838 18.187 19.000 0.042 0.000 0.819 689 A HN 0.519 nan 8.150 nan 0.000 0.442 690 F N 0.791 120.670 119.950 -0.119 0.000 2.102 690 F HA -0.157 4.276 4.527 -0.157 0.000 0.298 690 F C 2.179 177.842 175.800 -0.229 0.000 1.105 690 F CA 2.166 60.109 58.000 -0.095 0.000 1.239 690 F CB -0.108 38.925 39.000 0.055 0.000 0.991 690 F HN 0.128 nan 8.300 nan 0.000 0.474 691 K N -0.149 120.075 120.400 -0.292 0.000 2.097 691 K HA -0.089 4.137 4.320 -0.157 0.000 0.205 691 K C 2.285 178.329 176.600 -0.927 0.000 1.050 691 K CA 0.993 56.931 56.287 -0.582 0.000 0.938 691 K CB -0.464 31.569 32.500 -0.778 0.000 0.718 691 K HN 0.325 nan 8.250 nan 0.000 0.442 692 A N 1.736 123.854 122.820 -1.170 0.000 1.858 692 A HA -0.141 4.085 4.320 -0.157 0.000 0.216 692 A C 2.423 179.748 177.584 -0.432 0.000 1.190 692 A CA 1.911 53.364 52.037 -0.972 0.000 0.617 692 A CB -0.834 17.805 19.000 -0.601 0.000 0.827 692 A HN 0.318 nan 8.150 nan 0.000 0.443 693 A N -0.057 122.528 122.820 -0.393 0.000 1.908 693 A HA -0.117 4.108 4.320 -0.157 0.000 0.218 693 A C 2.428 179.800 177.584 -0.353 0.000 1.181 693 A CA 2.326 54.169 52.037 -0.325 0.000 0.627 693 A CB -0.966 17.834 19.000 -0.333 0.000 0.818 693 A HN 0.578 nan 8.150 nan 0.000 0.445 694 S N 0.374 115.812 115.700 -0.437 0.000 2.368 694 S HA -0.157 4.219 4.470 -0.157 0.000 0.225 694 S C 1.540 176.114 174.600 -0.043 0.000 1.030 694 S CA 1.330 59.385 58.200 -0.242 0.000 0.999 694 S CB -0.483 62.620 63.200 -0.161 0.000 0.844 694 S HN 0.583 nan 8.310 nan 0.000 0.459 695 D N 1.804 122.168 120.400 -0.061 0.000 2.117 695 D HA -0.018 4.527 4.640 -0.157 0.000 0.197 695 D C 1.860 178.177 176.300 0.028 0.000 0.987 695 D CA 0.738 54.786 54.000 0.081 0.000 0.829 695 D CB -0.489 40.435 40.800 0.208 0.000 0.961 695 D HN 0.288 nan 8.370 nan 0.000 0.460 696 L N 0.168 121.358 121.223 -0.055 0.000 2.129 696 L HA -0.177 4.068 4.340 -0.157 0.000 0.212 696 L C 2.335 179.130 176.870 -0.124 0.000 1.087 696 L CA 0.766 55.561 54.840 -0.075 0.000 0.757 696 L CB -0.242 41.755 42.059 -0.104 0.000 0.896 696 L HN 0.082 nan 8.230 nan 0.000 0.434 697 I N -1.769 118.660 120.570 -0.234 0.000 2.270 697 I HA -0.190 3.886 4.170 -0.157 0.000 0.239 697 I C 2.106 178.041 176.117 -0.304 0.000 1.080 697 I CA 0.947 62.025 61.300 -0.370 0.000 1.383 697 I CB -0.228 37.351 38.000 -0.701 0.000 1.097 697 I HN 0.006 nan 8.210 nan 0.000 0.420 698 F N 0.701 120.631 119.950 -0.033 0.000 2.365 698 F HA -0.056 4.378 4.527 -0.156 0.000 0.300 698 F C 1.838 177.642 175.800 0.007 0.000 1.090 698 F CA 1.053 59.045 58.000 -0.013 0.000 1.408 698 F CB -0.370 38.619 39.000 -0.019 0.000 1.060 698 F HN -0.013 nan 8.300 nan 0.000 0.534 699 L N -1.255 120.065 121.223 0.163 0.000 2.857 699 L HA 0.304 4.550 4.340 -0.157 0.000 0.249 699 L C 2.254 179.170 176.870 0.076 0.000 1.172 699 L CA 0.274 55.185 54.840 0.118 0.000 0.980 699 L CB -0.608 41.525 42.059 0.123 0.000 1.299 699 L HN 0.129 nan 8.230 nan 0.000 0.535 700 G N 1.259 110.086 108.800 0.045 0.000 2.440 700 G HA2 -0.241 3.624 3.960 -0.157 0.000 0.218 700 G HA3 -0.241 3.624 3.960 -0.157 0.000 0.218 700 G C 1.541 176.500 174.900 0.097 0.000 1.154 700 G CA 1.357 46.477 45.100 0.034 0.000 0.767 700 G HN 0.317 nan 8.290 nan 0.000 0.552 701 V N -1.726 118.247 119.914 0.097 0.000 2.913 701 V HA 0.027 4.052 4.120 -0.157 0.000 0.260 701 V C 2.223 178.420 176.094 0.172 0.000 1.098 701 V CA 2.075 64.449 62.300 0.124 0.000 1.121 701 V CB -0.479 31.371 31.823 0.045 0.000 0.714 701 V HN 0.216 nan 8.190 nan 0.000 0.487 702 K N -1.094 119.380 120.400 0.123 0.000 2.367 702 K HA 0.302 4.527 4.320 -0.157 0.000 0.194 702 K C 0.730 177.380 176.600 0.083 0.000 1.027 702 K CA -0.011 56.337 56.287 0.102 0.000 1.075 702 K CB -0.203 32.342 32.500 0.075 0.000 0.845 702 K HN 0.759 nan 8.250 nan 0.000 0.529 703 Q N 1.267 121.101 119.800 0.056 0.000 2.293 703 Q HA 0.260 4.505 4.340 -0.157 0.000 0.251 703 Q C -2.579 173.347 176.000 -0.123 0.000 0.930 703 Q CA -2.919 52.872 55.803 -0.020 0.000 0.893 703 Q CB 0.463 29.173 28.738 -0.048 0.000 1.215 703 Q HN 0.123 nan 8.270 nan 0.000 0.425 704 P HA -0.059 nan 4.420 nan 0.000 0.265 704 P C -0.183 176.933 177.300 -0.307 0.000 1.222 704 P CA 0.249 63.299 63.100 -0.083 0.000 0.767 704 P CB 0.235 31.957 31.700 0.036 0.000 0.801 705 N N 2.838 121.222 118.700 -0.527 0.000 2.708 705 N HA -0.223 4.422 4.740 -0.157 0.000 0.251 705 N C 0.965 175.846 175.510 -1.049 0.000 1.123 705 N CA 1.585 54.213 53.050 -0.703 0.000 0.739 705 N CB -1.717 36.458 38.487 -0.519 0.000 1.113 705 N HN 0.844 nan 8.380 nan 0.000 0.561 706 G N -0.998 107.059 108.800 -1.239 0.000 2.179 706 G HA2 -0.376 3.490 3.960 -0.157 0.000 0.257 706 G HA3 -0.376 3.490 3.960 -0.157 0.000 0.257 706 G C 0.010 174.706 174.900 -0.341 0.000 1.010 706 G CA 0.560 45.272 45.100 -0.648 0.000 0.736 706 G HN 0.501 nan 8.290 nan 0.000 0.513 707 Y N 0.455 120.645 120.300 -0.185 0.000 2.497 707 Y HA 0.322 4.776 4.550 -0.160 0.000 0.334 707 Y C 2.200 178.045 175.900 -0.092 0.000 1.199 707 Y CA 0.603 58.640 58.100 -0.105 0.000 1.425 707 Y CB 0.796 39.213 38.460 -0.072 0.000 1.291 707 Y HN 0.244 nan 8.280 nan 0.000 0.562 708 T N -2.378 112.238 114.554 0.103 0.000 3.057 708 T HA 0.021 4.276 4.350 -0.157 0.000 0.254 708 T C 1.227 175.908 174.700 -0.031 0.000 1.094 708 T CA 0.632 62.733 62.100 0.001 0.000 1.088 708 T CB -0.015 68.824 68.868 -0.048 0.000 0.934 708 T HN 0.522 nan 8.240 nan 0.000 0.497 709 E N 2.583 122.774 120.200 -0.014 0.000 2.085 709 E HA -0.032 4.223 4.350 -0.157 0.000 0.194 709 E C -0.607 175.956 176.600 -0.061 0.000 0.994 709 E CA 1.549 57.920 56.400 -0.049 0.000 0.801 709 E CB -1.424 28.163 29.700 -0.188 0.000 0.743 709 E HN 0.461 nan 8.360 nan 0.000 0.453 710 P HA -0.168 nan 4.420 nan 0.000 0.215 710 P C 1.215 178.541 177.300 0.043 0.000 1.157 710 P CA 1.194 64.278 63.100 -0.027 0.000 0.868 710 P CB 0.030 31.722 31.700 -0.012 0.000 0.788 711 L N -1.846 119.417 121.223 0.067 0.000 2.109 711 L HA -0.103 4.143 4.340 -0.157 0.000 0.207 711 L C 2.544 179.546 176.870 0.221 0.000 1.086 711 L CA 0.933 55.873 54.840 0.168 0.000 0.760 711 L CB -0.796 41.377 42.059 0.189 0.000 0.910 711 L HN -0.069 nan 8.230 nan 0.000 0.437 712 L N -1.089 120.160 121.223 0.043 0.000 1.994 712 L HA -0.271 3.975 4.340 -0.157 0.000 0.208 712 L C 2.667 179.613 176.870 0.127 0.000 1.071 712 L CA 1.421 56.172 54.840 -0.148 0.000 0.745 712 L CB -0.810 40.705 42.059 -0.907 0.000 0.892 712 L HN 0.333 nan 8.230 nan 0.000 0.431 713 H N -0.743 118.358 119.070 0.052 0.000 2.353 713 H HA -0.153 4.308 4.556 -0.158 0.000 0.300 713 H C 2.260 177.668 175.328 0.133 0.000 1.090 713 H CA 1.091 57.252 56.048 0.189 0.000 1.327 713 H CB 0.142 29.983 29.762 0.132 0.000 1.383 713 H HN 0.424 nan 8.280 nan 0.000 0.508 714 A N 0.862 123.789 122.820 0.180 0.000 1.858 714 A HA -0.185 4.041 4.320 -0.157 0.000 0.216 714 A C 2.084 179.643 177.584 -0.042 0.000 1.190 714 A CA 1.304 53.334 52.037 -0.012 0.000 0.617 714 A CB -1.151 17.747 19.000 -0.170 0.000 0.827 714 A HN 0.468 nan 8.150 nan 0.000 0.443 715 W N -0.784 120.572 121.300 0.094 0.000 2.402 715 W HA -0.034 4.531 4.660 -0.158 0.000 0.286 715 W C 2.464 179.051 176.519 0.114 0.000 1.221 715 W CA 1.198 58.596 57.345 0.088 0.000 1.257 715 W CB 0.024 29.524 29.460 0.066 0.000 1.120 715 W HN 0.300 nan 8.180 nan 0.000 0.551 716 R N 0.677 121.403 120.500 0.377 0.000 2.090 716 R HA -0.067 4.179 4.340 -0.157 0.000 0.228 716 R C 1.869 178.273 176.300 0.173 0.000 1.110 716 R CA 1.433 57.716 56.100 0.304 0.000 0.973 716 R CB -0.928 29.622 30.300 0.417 0.000 0.869 716 R HN 0.197 nan 8.270 nan 0.000 0.440 717 L N 0.288 121.596 121.223 0.143 0.000 2.046 717 L HA -0.168 4.077 4.340 -0.157 0.000 0.208 717 L C 2.508 179.419 176.870 0.069 0.000 1.077 717 L CA 1.515 56.405 54.840 0.082 0.000 0.747 717 L CB -0.396 41.702 42.059 0.066 0.000 0.896 717 L HN 0.204 nan 8.230 nan 0.000 0.432 718 R N -0.166 120.378 120.500 0.072 0.000 2.073 718 R HA -0.211 4.034 4.340 -0.157 0.000 0.234 718 R C 2.130 178.498 176.300 0.114 0.000 1.134 718 R CA 1.515 57.659 56.100 0.073 0.000 0.952 718 R CB -0.491 29.851 30.300 0.070 0.000 0.850 718 R HN 0.283 nan 8.270 nan 0.000 0.433 719 E N 1.729 122.025 120.200 0.161 0.000 2.058 719 E HA -0.177 4.078 4.350 -0.157 0.000 0.194 719 E C 1.562 178.209 176.600 0.078 0.000 0.997 719 E CA 1.657 58.136 56.400 0.132 0.000 0.801 719 E CB -0.057 29.732 29.700 0.148 0.000 0.746 719 E HN 0.178 nan 8.360 nan 0.000 0.450 720 K N 0.095 120.536 120.400 0.068 0.000 2.442 720 K HA -0.119 4.106 4.320 -0.157 0.000 0.198 720 K C 1.865 178.485 176.600 0.034 0.000 1.044 720 K CA 0.968 57.278 56.287 0.037 0.000 0.948 720 K CB -0.066 32.450 32.500 0.026 0.000 0.762 720 K HN 0.278 nan 8.250 nan 0.000 0.472 721 E N 0.762 120.988 120.200 0.043 0.000 2.267 721 E HA -0.120 4.135 4.350 -0.157 0.000 0.197 721 E C 0.607 177.224 176.600 0.028 0.000 0.998 721 E CA 0.865 57.285 56.400 0.034 0.000 0.830 721 E CB 0.128 29.848 29.700 0.034 0.000 0.751 721 E HN 0.283 nan 8.360 nan 0.000 0.491 722 S N 0.000 115.718 115.700 0.030 0.000 2.498 722 S HA 0.000 4.375 4.470 -0.157 0.000 0.327 722 S CA 0.000 58.213 58.200 0.021 0.000 1.107 722 S CB 0.000 63.214 63.200 0.023 0.000 0.593 722 S HN 0.000 nan 8.310 nan 0.000 0.517