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 1qni_1_B DATA FIRST_RESID 10 DATA SEQUENCE AHVAPGELDE YYGFWSGGHQ GEVRVLGVPS MRELMRIPVF NVDSATGWGI DATA SEQUENCE TNESKEILGG DQQYLNGDCH HPHISMTDGR YDGKYLFIND KANTRVARIR DATA SEQUENCE LDIMKTDKIT HIPNVQAIHG LRLQKVPKTN YVFCNAEFVI PQPNDGTDFS DATA SEQUENCE LDNSYTMFTA IDAETMDVAW QVIVDGNLDN TDADYTGKYA TSTCYNSERA DATA SEQUENCE VDLAGTMRND RDWVVVFNVE RIAAAVKAGN FKTIGDSKVP VVDGRGESEF DATA SEQUENCE TRYIPVPKNP HGLNTSPDGK YFIANGKLSP TVSVIAIDKL DDLFEDKIEL DATA SEQUENCE RDTIVAEPEL GLGPLHTTFD GRGNAYTTLF IDSQVCKWNI ADAIKHYNGD DATA SEQUENCE RVNYIRQKLD VQYQPGHNHA SLTESRDADG KWLVVLSKFS KDRFLPVGPL DATA SEQUENCE HPENDQLIDI SGEEMKLVHD GPTYAEPHDC ILVRRDQIKT KKIYERNDPY DATA SEQUENCE FASCRAQAEK DGVTLESDNK VIRDGNKVRV YMTSVAPQYG MTDFKVKEGD DATA SEQUENCE EVTVYITNLD MVEDVTHGFC MVNHGVSMEI SPQQTASVTF TAGKPGVYWY DATA SEQUENCE YCNWFCHALH MEMVGRMLVE AA 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.335 177.584 -0.414 0.000 1.274 10 A CA 0.000 51.927 52.037 -0.184 0.000 0.836 10 A CB 0.000 18.813 19.000 -0.312 0.000 0.831 11 H N 0.004 119.119 119.070 0.075 0.000 2.529 11 H HA 0.620 5.176 4.556 -0.000 0.000 0.348 11 H C -1.271 174.064 175.328 0.011 0.000 1.079 11 H CA -0.640 55.426 56.048 0.031 0.000 1.198 11 H CB 1.835 31.623 29.762 0.043 0.000 1.521 11 H HN 0.033 nan 8.280 nan 0.000 0.514 12 V N 2.338 122.304 119.914 0.086 0.000 2.326 12 V HA 0.446 4.566 4.120 -0.000 0.000 0.281 12 V C 0.587 176.695 176.094 0.023 0.000 1.015 12 V CA -0.773 61.544 62.300 0.030 0.000 0.823 12 V CB 0.876 32.684 31.823 -0.025 0.000 1.009 12 V HN 0.946 nan 8.190 nan 0.000 0.436 13 A N 6.878 129.714 122.820 0.026 0.000 2.287 13 A HA 0.803 5.123 4.320 -0.000 0.000 0.273 13 A C -2.479 175.104 177.584 -0.002 0.000 1.091 13 A CA -1.656 50.388 52.037 0.013 0.000 0.817 13 A CB 0.053 19.062 19.000 0.017 0.000 1.069 13 A HN 0.649 nan 8.150 nan 0.000 0.492 14 P HA 0.251 nan 4.420 nan 0.000 0.261 14 P C 0.936 178.229 177.300 -0.011 0.000 1.183 14 P CA 2.049 65.142 63.100 -0.012 0.000 0.761 14 P CB 0.501 32.194 31.700 -0.012 0.000 0.785 15 G N 2.275 111.066 108.800 -0.015 0.000 2.254 15 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.225 15 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.225 15 G C 0.048 174.938 174.900 -0.015 0.000 1.003 15 G CA -0.364 44.728 45.100 -0.014 0.000 0.622 15 G HN 0.541 nan 8.290 nan 0.000 0.507 16 E N 0.138 120.329 120.200 -0.015 0.000 2.280 16 E HA 0.728 5.078 4.350 -0.000 0.000 0.264 16 E C -0.120 176.461 176.600 -0.032 0.000 1.064 16 E CA -0.623 55.766 56.400 -0.018 0.000 0.900 16 E CB 1.611 31.307 29.700 -0.007 0.000 1.123 16 E HN 0.303 nan 8.360 nan 0.000 0.418 17 L N 1.069 122.266 121.223 -0.042 0.000 2.319 17 L HA 0.353 4.693 4.340 -0.000 0.000 0.267 17 L C -0.331 176.491 176.870 -0.081 0.000 1.011 17 L CA -0.892 53.907 54.840 -0.068 0.000 0.818 17 L CB 1.644 43.657 42.059 -0.078 0.000 1.316 17 L HN 0.458 nan 8.230 nan 0.000 0.432 18 D N -0.148 120.181 120.400 -0.118 0.000 2.360 18 D HA 0.065 4.705 4.640 -0.000 0.000 0.242 18 D C 0.577 176.793 176.300 -0.141 0.000 1.184 18 D CA -0.109 53.818 54.000 -0.121 0.000 0.930 18 D CB 1.111 41.814 40.800 -0.161 0.000 1.161 18 D HN 0.508 nan 8.370 nan 0.000 0.447 19 E N -0.343 119.813 120.200 -0.074 0.000 2.216 19 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 19 E C -0.270 176.153 176.600 -0.295 0.000 0.973 19 E CA 0.494 56.798 56.400 -0.161 0.000 0.851 19 E CB 0.365 30.012 29.700 -0.090 0.000 0.804 19 E HN 0.421 nan 8.360 nan 0.000 0.477 20 Y N -0.983 119.239 120.300 -0.130 0.000 2.562 20 Y HA 0.361 4.911 4.550 -0.000 0.000 0.343 20 Y C -0.542 175.225 175.900 -0.222 0.000 1.025 20 Y CA -1.254 56.784 58.100 -0.103 0.000 1.082 20 Y CB 0.808 39.289 38.460 0.035 0.000 1.264 20 Y HN -0.150 nan 8.280 nan 0.000 0.478 21 Y N 0.154 120.488 120.300 0.056 0.000 2.334 21 Y HA 0.593 5.142 4.550 -0.000 0.000 0.328 21 Y C 0.612 176.352 175.900 -0.266 0.000 1.130 21 Y CA -0.984 56.980 58.100 -0.226 0.000 1.163 21 Y CB 1.656 39.868 38.460 -0.412 0.000 1.207 21 Y HN 0.695 nan 8.280 nan 0.000 0.471 22 G N 2.989 111.696 108.800 -0.156 0.000 2.605 22 G HA2 0.477 4.437 3.960 -0.000 0.000 0.304 22 G HA3 0.477 4.437 3.960 -0.000 0.000 0.304 22 G C -1.604 173.308 174.900 0.020 0.000 1.333 22 G CA -0.426 44.739 45.100 0.108 0.000 0.973 22 G HN 0.366 nan 8.290 nan 0.000 0.507 23 F N 2.408 122.505 119.950 0.246 0.000 2.377 23 F HA 0.331 4.858 4.527 -0.000 0.000 0.360 23 F C 0.498 176.376 175.800 0.130 0.000 1.147 23 F CA -1.160 56.922 58.000 0.135 0.000 1.170 23 F CB 0.690 39.666 39.000 -0.039 0.000 1.339 23 F HN 0.343 nan 8.300 nan 0.000 0.552 24 W N 3.344 124.656 121.300 0.021 0.000 2.316 24 W HA 0.261 4.920 4.660 -0.000 0.000 0.311 24 W C 0.395 176.919 176.519 0.008 0.000 1.217 24 W CA -0.780 56.558 57.345 -0.013 0.000 1.199 24 W CB 1.852 31.300 29.460 -0.020 0.000 1.202 24 W HN 0.402 nan 8.180 nan 0.000 0.528 25 S N 1.590 117.339 115.700 0.081 0.000 2.585 25 S HA 0.279 4.749 4.470 -0.000 0.000 0.273 25 S C 0.852 175.548 174.600 0.161 0.000 1.339 25 S CA -0.071 58.181 58.200 0.085 0.000 1.028 25 S CB 1.701 64.915 63.200 0.024 0.000 0.906 25 S HN 0.609 nan 8.310 nan 0.000 0.528 26 G N 0.137 109.028 108.800 0.152 0.000 3.088 26 G HA2 0.512 4.472 3.960 -0.000 0.000 0.217 26 G HA3 0.512 4.472 3.960 -0.000 0.000 0.217 26 G C 0.942 175.915 174.900 0.122 0.000 1.159 26 G CA 0.102 45.290 45.100 0.146 0.000 0.760 26 G HN 1.571 nan 8.290 nan 0.000 0.550 27 G N 1.136 110.041 108.800 0.175 0.000 2.547 27 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.271 27 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.271 27 G C 0.851 175.871 174.900 0.201 0.000 1.209 27 G CA 0.343 45.575 45.100 0.221 0.000 0.959 27 G HN 0.897 nan 8.290 nan 0.000 0.563 28 H N 1.125 120.281 119.070 0.144 0.000 2.562 28 H HA 0.164 4.720 4.556 -0.000 0.000 0.272 28 H C 1.920 177.330 175.328 0.136 0.000 1.019 28 H CA 1.304 57.429 56.048 0.128 0.000 1.160 28 H CB -0.052 29.777 29.762 0.110 0.000 1.334 28 H HN 0.539 nan 8.280 nan 0.000 0.611 29 Q N 1.178 120.952 119.800 -0.045 0.000 2.331 29 Q HA 0.014 4.354 4.340 -0.000 0.000 0.203 29 Q C 1.221 177.308 176.000 0.146 0.000 0.944 29 Q CA 1.111 56.946 55.803 0.052 0.000 0.892 29 Q CB 0.114 28.899 28.738 0.078 0.000 0.983 29 Q HN 0.740 nan 8.270 nan 0.000 0.482 30 G N 1.160 110.067 108.800 0.178 0.000 2.258 30 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.233 30 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.233 30 G C 0.196 175.225 174.900 0.216 0.000 1.006 30 G CA 0.483 45.739 45.100 0.260 0.000 0.620 30 G HN 0.552 nan 8.290 nan 0.000 0.511 31 E N 0.055 120.330 120.200 0.126 0.000 2.302 31 E HA 0.702 5.052 4.350 -0.000 0.000 0.255 31 E C -0.793 175.836 176.600 0.050 0.000 1.099 31 E CA -0.785 55.639 56.400 0.041 0.000 0.929 31 E CB 2.059 31.774 29.700 0.025 0.000 1.203 31 E HN 0.322 nan 8.360 nan 0.000 0.459 32 V N 0.758 120.673 119.914 0.002 0.000 2.555 32 V HA 0.405 4.525 4.120 -0.000 0.000 0.302 32 V C -0.420 175.722 176.094 0.079 0.000 1.038 32 V CA -0.734 61.596 62.300 0.050 0.000 0.887 32 V CB 1.544 33.365 31.823 -0.003 0.000 0.991 32 V HN 0.575 nan 8.190 nan 0.000 0.434 33 R N 2.961 123.549 120.500 0.146 0.000 2.393 33 R HA 0.679 5.019 4.340 -0.000 0.000 0.310 33 R C -1.218 175.154 176.300 0.119 0.000 0.968 33 R CA -0.610 55.551 56.100 0.102 0.000 0.867 33 R CB 2.066 32.405 30.300 0.064 0.000 1.124 33 R HN 0.510 nan 8.270 nan 0.000 0.450 34 V N 5.673 125.611 119.914 0.041 0.000 2.333 34 V HA 0.316 4.436 4.120 -0.000 0.000 0.274 34 V C 0.064 176.080 176.094 -0.130 0.000 1.028 34 V CA -0.524 61.753 62.300 -0.038 0.000 0.851 34 V CB 0.520 32.345 31.823 0.004 0.000 1.000 34 V HN 0.544 nan 8.190 nan 0.000 0.456 35 L N 3.680 124.773 121.223 -0.218 0.000 2.332 35 L HA 0.852 5.192 4.340 -0.000 0.000 0.269 35 L C 0.716 177.449 176.870 -0.228 0.000 1.016 35 L CA -0.693 53.958 54.840 -0.314 0.000 0.809 35 L CB 1.529 43.195 42.059 -0.655 0.000 1.280 35 L HN 0.648 nan 8.230 nan 0.000 0.447 36 G N 0.477 109.137 108.800 -0.233 0.000 2.372 36 G HA2 0.565 4.525 3.960 -0.000 0.000 0.323 36 G HA3 0.565 4.525 3.960 -0.000 0.000 0.323 36 G C -0.891 173.869 174.900 -0.233 0.000 1.152 36 G CA -0.287 44.691 45.100 -0.203 0.000 0.906 36 G HN 0.256 nan 8.290 nan 0.000 0.460 37 V N 4.078 123.884 119.914 -0.180 0.000 2.581 37 V HA 0.428 4.548 4.120 -0.000 0.000 0.303 37 V C -1.358 174.630 176.094 -0.175 0.000 1.041 37 V CA -1.527 60.623 62.300 -0.248 0.000 0.907 37 V CB 2.707 34.384 31.823 -0.244 0.000 0.994 37 V HN 0.711 nan 8.190 nan 0.000 0.442 38 P HA 0.003 nan 4.420 nan 0.000 0.255 38 P C 1.311 178.352 177.300 -0.432 0.000 1.248 38 P CA 0.582 63.349 63.100 -0.555 0.000 0.807 38 P CB 0.439 31.752 31.700 -0.644 0.000 1.150 39 S N -0.023 115.495 115.700 -0.303 0.000 2.399 39 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 39 S C 1.399 175.740 174.600 -0.431 0.000 1.022 39 S CA 0.897 58.926 58.200 -0.285 0.000 0.983 39 S CB -1.060 62.029 63.200 -0.186 0.000 0.803 39 S HN -0.024 nan 8.310 nan 0.000 0.480 40 M N -0.352 118.988 119.600 -0.433 0.000 2.921 40 M HA -0.127 4.353 4.480 -0.000 0.000 0.206 40 M C -0.261 175.801 176.300 -0.398 0.000 0.574 40 M CA 0.765 55.776 55.300 -0.482 0.000 0.746 40 M CB -2.366 29.867 32.600 -0.612 0.000 2.693 40 M HN 0.542 nan 8.290 nan 0.000 0.439 41 R N 0.740 121.056 120.500 -0.308 0.000 2.500 41 R HA 0.480 4.820 4.340 -0.000 0.000 0.275 41 R C 0.606 176.758 176.300 -0.248 0.000 1.051 41 R CA -0.576 55.385 56.100 -0.232 0.000 1.088 41 R CB 1.200 31.402 30.300 -0.163 0.000 1.063 41 R HN 0.239 nan 8.270 nan 0.000 0.511 42 E N 2.639 122.713 120.200 -0.210 0.000 2.194 42 E HA 0.045 4.395 4.350 -0.000 0.000 0.284 42 E C 0.219 176.748 176.600 -0.118 0.000 1.035 42 E CA -0.156 56.130 56.400 -0.190 0.000 0.836 42 E CB 0.662 30.264 29.700 -0.164 0.000 1.070 42 E HN 0.526 nan 8.360 nan 0.000 0.401 43 L N 3.931 125.097 121.223 -0.095 0.000 2.408 43 L HA 0.253 4.593 4.340 -0.000 0.000 0.215 43 L C 0.485 177.349 176.870 -0.010 0.000 1.081 43 L CA 0.137 54.951 54.840 -0.043 0.000 0.840 43 L CB 0.185 42.234 42.059 -0.016 0.000 1.002 43 L HN 0.572 nan 8.230 nan 0.000 0.468 44 M N -0.816 118.777 119.600 -0.012 0.000 2.643 44 M HA 0.402 4.882 4.480 -0.000 0.000 0.276 44 M C -1.841 174.464 176.300 0.009 0.000 1.200 44 M CA -0.483 54.825 55.300 0.013 0.000 0.863 44 M CB 1.995 34.612 32.600 0.029 0.000 1.711 44 M HN -0.158 nan 8.290 nan 0.000 0.492 45 R N 2.653 123.162 120.500 0.016 0.000 2.534 45 R HA 0.773 5.113 4.340 -0.000 0.000 0.301 45 R C -1.217 175.072 176.300 -0.019 0.000 0.961 45 R CA -0.654 55.449 56.100 0.006 0.000 0.871 45 R CB 1.647 31.953 30.300 0.011 0.000 1.170 45 R HN 0.693 nan 8.270 nan 0.000 0.446 46 I N 4.866 125.399 120.570 -0.062 0.000 2.359 46 I HA 0.272 4.442 4.170 -0.000 0.000 0.284 46 I C -2.010 173.950 176.117 -0.261 0.000 1.018 46 I CA -2.376 58.824 61.300 -0.167 0.000 1.173 46 I CB 1.558 39.442 38.000 -0.193 0.000 1.326 46 I HN 0.253 nan 8.210 nan 0.000 0.462 47 P HA 0.079 nan 4.420 nan 0.000 0.268 47 P C 0.102 176.925 177.300 -0.794 0.000 1.205 47 P CA 0.088 62.950 63.100 -0.397 0.000 0.771 47 P CB 2.259 33.810 31.700 -0.247 0.000 0.858 48 V N 1.337 120.962 119.914 -0.482 0.000 3.658 48 V HA 0.130 4.249 4.120 -0.000 0.000 0.197 48 V C 1.261 177.184 176.094 -0.286 0.000 1.295 48 V CA 0.772 62.712 62.300 -0.600 0.000 1.298 48 V CB -0.676 30.730 31.823 -0.695 0.000 1.347 48 V HN 0.276 nan 8.190 nan 0.000 0.548 49 F N 2.011 122.054 119.950 0.156 0.000 2.678 49 F HA 0.346 4.873 4.527 -0.000 0.000 0.305 49 F C 0.969 176.899 175.800 0.216 0.000 1.090 49 F CA -0.773 57.346 58.000 0.198 0.000 1.272 49 F CB -0.454 38.609 39.000 0.105 0.000 1.060 49 F HN 0.357 nan 8.300 nan 0.000 0.576 50 N N -0.793 118.110 118.700 0.338 0.000 2.478 50 N HA 0.535 5.275 4.740 -0.000 0.000 0.275 50 N C -1.142 174.561 175.510 0.322 0.000 1.221 50 N CA -0.789 52.431 53.050 0.282 0.000 0.979 50 N CB 1.344 39.954 38.487 0.206 0.000 1.202 50 N HN -0.213 nan 8.380 nan 0.000 0.564 51 V N 0.508 120.572 119.914 0.250 0.000 2.334 51 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 51 V C -0.777 175.441 176.094 0.206 0.000 1.016 51 V CA -0.564 61.878 62.300 0.237 0.000 0.832 51 V CB 0.639 32.560 31.823 0.165 0.000 0.999 51 V HN 0.753 nan 8.190 nan 0.000 0.439 52 D N 3.227 123.778 120.400 0.252 0.000 2.316 52 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 52 D C 1.224 177.623 176.300 0.165 0.000 1.171 52 D CA 0.306 54.423 54.000 0.196 0.000 0.856 52 D CB 1.932 42.866 40.800 0.223 0.000 1.090 52 D HN 0.413 nan 8.370 nan 0.000 0.476 53 S N 2.798 118.563 115.700 0.110 0.000 2.423 53 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 53 S C 1.672 176.317 174.600 0.075 0.000 1.014 53 S CA 1.270 59.517 58.200 0.079 0.000 0.965 53 S CB -0.087 63.139 63.200 0.044 0.000 0.785 53 S HN 0.570 nan 8.310 nan 0.000 0.495 54 A N 1.068 123.936 122.820 0.080 0.000 1.831 54 A HA 0.013 4.333 4.320 -0.000 0.000 0.213 54 A C 2.436 180.183 177.584 0.271 0.000 1.223 54 A CA 1.860 53.926 52.037 0.048 0.000 0.604 54 A CB -1.579 17.407 19.000 -0.023 0.000 0.878 54 A HN 0.683 nan 8.150 nan 0.000 0.450 55 T N -3.645 111.140 114.554 0.385 0.000 3.035 55 T HA 0.332 4.682 4.350 -0.000 0.000 0.268 55 T C 1.409 176.317 174.700 0.347 0.000 1.109 55 T CA 1.305 63.687 62.100 0.469 0.000 1.119 55 T CB -0.250 68.863 68.868 0.409 0.000 0.900 55 T HN 1.905 nan 8.240 nan 0.000 0.503 56 G N 0.598 109.567 108.800 0.282 0.000 2.136 56 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.242 56 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.242 56 G C -0.126 174.903 174.900 0.216 0.000 0.989 56 G CA -0.079 45.146 45.100 0.208 0.000 0.682 56 G HN 0.714 nan 8.290 nan 0.000 0.522 57 W N 0.695 122.066 121.300 0.118 0.000 2.469 57 W HA 0.392 5.052 4.660 -0.000 0.000 0.321 57 W C 1.047 177.620 176.519 0.089 0.000 1.415 57 W CA 1.076 58.485 57.345 0.107 0.000 1.308 57 W CB 0.068 29.588 29.460 0.100 0.000 1.368 57 W HN 1.254 nan 8.180 nan 0.000 0.546 58 G N 4.230 112.796 108.800 -0.390 0.000 2.218 58 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 58 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 58 G C 0.554 175.390 174.900 -0.106 0.000 0.994 58 G CA 0.328 45.297 45.100 -0.219 0.000 0.637 58 G HN 0.557 nan 8.290 nan 0.000 0.505 59 I N 1.250 121.779 120.570 -0.069 0.000 3.443 59 I HA 0.156 4.326 4.170 -0.000 0.000 0.277 59 I C 1.931 178.014 176.117 -0.055 0.000 1.169 59 I CA 0.937 62.223 61.300 -0.024 0.000 1.419 59 I CB -0.082 37.938 38.000 0.035 0.000 1.331 59 I HN 0.331 nan 8.210 nan 0.000 0.458 60 T N -1.012 113.500 114.554 -0.070 0.000 2.855 60 T HA 0.013 4.363 4.350 -0.000 0.000 0.314 60 T C 0.684 175.290 174.700 -0.156 0.000 1.077 60 T CA 0.125 62.163 62.100 -0.103 0.000 1.095 60 T CB 0.564 69.375 68.868 -0.095 0.000 0.987 60 T HN 0.198 nan 8.240 nan 0.000 0.546 61 N N 0.846 119.444 118.700 -0.170 0.000 2.188 61 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 61 N C 1.796 177.220 175.510 -0.143 0.000 1.018 61 N CA 1.061 54.016 53.050 -0.159 0.000 0.858 61 N CB -0.104 38.274 38.487 -0.181 0.000 0.989 61 N HN 0.690 nan 8.380 nan 0.000 0.426 62 E N 0.484 120.595 120.200 -0.148 0.000 2.038 62 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 62 E C 2.215 178.748 176.600 -0.112 0.000 1.000 62 E CA 1.612 57.955 56.400 -0.095 0.000 0.803 62 E CB -0.373 29.226 29.700 -0.167 0.000 0.750 62 E HN 0.398 nan 8.360 nan 0.000 0.448 63 S N 0.630 116.166 115.700 -0.273 0.000 2.368 63 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 63 S C 1.828 176.082 174.600 -0.577 0.000 1.030 63 S CA 1.079 58.817 58.200 -0.770 0.000 0.999 63 S CB -0.226 62.181 63.200 -1.322 0.000 0.844 63 S HN 0.088 nan 8.310 nan 0.000 0.459 64 K N 0.993 121.182 120.400 -0.351 0.000 2.209 64 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 64 K C 2.326 178.853 176.600 -0.121 0.000 1.048 64 K CA 1.368 57.528 56.287 -0.211 0.000 0.940 64 K CB -0.132 32.281 32.500 -0.145 0.000 0.729 64 K HN 0.625 nan 8.250 nan 0.000 0.451 65 E N 0.793 120.931 120.200 -0.104 0.000 2.216 65 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 65 E C 1.775 178.370 176.600 -0.009 0.000 0.988 65 E CA 0.531 56.908 56.400 -0.039 0.000 0.834 65 E CB 0.165 29.853 29.700 -0.020 0.000 0.772 65 E HN 0.253 nan 8.360 nan 0.000 0.479 66 I N 0.488 121.040 120.570 -0.029 0.000 2.333 66 I HA -0.214 3.956 4.170 -0.000 0.000 0.246 66 I C 2.137 178.292 176.117 0.063 0.000 1.106 66 I CA 0.585 61.907 61.300 0.038 0.000 1.411 66 I CB -0.020 38.041 38.000 0.101 0.000 1.082 66 I HN 0.155 nan 8.210 nan 0.000 0.420 67 L N 0.453 121.684 121.223 0.013 0.000 2.141 67 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 67 L C 1.782 178.773 176.870 0.203 0.000 1.094 67 L CA 0.860 55.768 54.840 0.112 0.000 0.763 67 L CB -1.127 40.964 42.059 0.053 0.000 0.908 67 L HN 0.466 nan 8.230 nan 0.000 0.437 68 G N -0.219 108.649 108.800 0.114 0.000 2.627 68 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.312 68 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.312 68 G C 0.578 175.550 174.900 0.119 0.000 1.299 68 G CA 0.109 45.275 45.100 0.111 0.000 0.989 68 G HN 1.065 nan 8.290 nan 0.000 0.547 69 G N -1.742 107.072 108.800 0.023 0.000 2.819 69 G HA2 0.279 4.239 3.960 -0.000 0.000 0.682 69 G HA3 0.279 4.239 3.960 -0.000 0.000 0.682 69 G C 0.034 174.864 174.900 -0.117 0.000 1.481 69 G CA 0.753 45.744 45.100 -0.182 0.000 0.904 69 G HN 2.263 nan 8.290 nan 0.000 0.563 70 D N -0.778 119.535 120.400 -0.147 0.000 2.388 70 D HA 0.372 5.012 4.640 -0.000 0.000 0.221 70 D C 0.613 176.834 176.300 -0.132 0.000 1.133 70 D CA 0.551 54.486 54.000 -0.108 0.000 0.831 70 D CB 0.560 41.310 40.800 -0.085 0.000 0.962 70 D HN 0.756 nan 8.370 nan 0.000 0.502 71 Q N 0.242 119.920 119.800 -0.203 0.000 2.386 71 Q HA 0.106 4.446 4.340 -0.000 0.000 0.274 71 Q C -1.754 173.990 176.000 -0.426 0.000 1.011 71 Q CA -0.822 54.793 55.803 -0.313 0.000 0.867 71 Q CB 1.632 30.127 28.738 -0.405 0.000 1.409 71 Q HN 0.160 nan 8.270 nan 0.000 0.395 72 Q N 2.730 122.345 119.800 -0.309 0.000 2.279 72 Q HA 0.274 4.614 4.340 -0.000 0.000 0.256 72 Q C -1.696 174.163 176.000 -0.235 0.000 0.937 72 Q CA -0.255 55.428 55.803 -0.199 0.000 0.933 72 Q CB 0.630 29.323 28.738 -0.075 0.000 1.189 72 Q HN 0.544 nan 8.270 nan 0.000 0.417 73 Y N 4.029 124.391 120.300 0.103 0.000 2.331 73 Y HA 0.225 4.775 4.550 -0.000 0.000 0.338 73 Y C 0.398 176.376 175.900 0.130 0.000 0.976 73 Y CA -0.698 57.473 58.100 0.118 0.000 1.137 73 Y CB 1.295 39.843 38.460 0.146 0.000 1.172 73 Y HN 0.645 nan 8.280 nan 0.000 0.478 74 L N 3.287 124.674 121.223 0.273 0.000 2.591 74 L HA 0.156 4.496 4.340 -0.000 0.000 0.228 74 L C 0.068 177.072 176.870 0.223 0.000 1.133 74 L CA 0.218 55.185 54.840 0.211 0.000 0.880 74 L CB -0.459 41.693 42.059 0.155 0.000 1.033 74 L HN 0.713 nan 8.230 nan 0.000 0.450 75 N N -1.332 117.515 118.700 0.245 0.000 2.902 75 N HA 0.759 5.499 4.740 -0.000 0.000 0.268 75 N C -0.536 175.073 175.510 0.165 0.000 1.450 75 N CA -0.605 52.566 53.050 0.201 0.000 0.819 75 N CB 2.101 40.684 38.487 0.161 0.000 1.540 75 N HN -0.141 nan 8.380 nan 0.000 0.545 76 G N -0.862 108.016 108.800 0.130 0.000 2.576 76 G HA2 0.392 4.352 3.960 -0.000 0.000 0.290 76 G HA3 0.392 4.352 3.960 -0.000 0.000 0.290 76 G C -2.269 172.649 174.900 0.031 0.000 1.442 76 G CA -0.451 44.642 45.100 -0.011 0.000 0.792 76 G HN 0.654 nan 8.290 nan 0.000 0.491 77 D N -0.396 119.950 120.400 -0.090 0.000 2.330 77 D HA 0.418 5.058 4.640 -0.000 0.000 0.249 77 D C -0.035 176.278 176.300 0.023 0.000 1.306 77 D CA -0.362 53.681 54.000 0.071 0.000 0.956 77 D CB 0.288 41.141 40.800 0.089 0.000 1.261 77 D HN 0.661 nan 8.370 nan 0.000 0.544 78 C N 2.186 121.577 119.300 0.152 0.000 2.295 78 C HA 0.665 5.125 4.460 -0.000 0.000 0.331 78 C C 1.185 176.288 174.990 0.187 0.000 1.280 78 C CA -0.563 58.538 59.018 0.138 0.000 1.746 78 C CB 0.322 28.216 27.740 0.257 0.000 2.328 78 C HN 0.700 nan 8.230 nan 0.000 0.521 79 H N 0.133 118.997 119.070 -0.344 0.000 2.521 79 H HA 0.142 4.698 4.556 -0.000 0.000 0.267 79 H C -0.098 174.990 175.328 -0.401 0.000 0.963 79 H CA 0.057 55.776 56.048 -0.548 0.000 1.175 79 H CB 0.276 29.366 29.762 -1.120 0.000 1.450 79 H HN 0.742 nan 8.280 nan 0.000 0.472 80 H N 2.666 121.740 119.070 0.005 0.000 2.691 80 H HA 0.205 4.761 4.556 -0.000 0.000 0.281 80 H C -2.602 172.618 175.328 -0.181 0.000 1.121 80 H CA -2.298 53.696 56.048 -0.090 0.000 1.254 80 H CB 1.248 31.056 29.762 0.077 0.000 1.390 80 H HN 0.203 nan 8.280 nan 0.000 0.491 81 P HA 0.148 nan 4.420 nan 0.000 0.293 81 P C -0.735 176.165 177.300 -0.666 0.000 1.300 81 P CA -0.204 62.712 63.100 -0.306 0.000 0.792 81 P CB 1.516 33.097 31.700 -0.198 0.000 0.925 82 H N 2.429 121.507 119.070 0.013 0.000 2.717 82 H HA 0.402 4.958 4.556 -0.000 0.000 0.366 82 H C -0.369 174.971 175.328 0.019 0.000 1.132 82 H CA -0.782 55.279 56.048 0.022 0.000 1.180 82 H CB 2.662 32.470 29.762 0.077 0.000 1.678 82 H HN 0.414 nan 8.280 nan 0.000 0.537 83 I N 2.390 122.982 120.570 0.036 0.000 2.385 83 I HA 0.130 4.300 4.170 -0.000 0.000 0.294 83 I C 0.481 176.679 176.117 0.135 0.000 0.988 83 I CA -0.369 60.914 61.300 -0.028 0.000 1.265 83 I CB 0.719 38.570 38.000 -0.249 0.000 1.388 83 I HN 0.647 nan 8.210 nan 0.000 0.480 84 S N 7.438 123.253 115.700 0.191 0.000 2.559 84 S HA 0.254 4.724 4.470 -0.000 0.000 0.282 84 S C -0.337 174.376 174.600 0.189 0.000 1.336 84 S CA -0.296 58.047 58.200 0.238 0.000 1.037 84 S CB 0.670 64.037 63.200 0.277 0.000 0.853 84 S HN 0.644 nan 8.310 nan 0.000 0.523 85 M N 1.301 121.000 119.600 0.165 0.000 2.619 85 M HA 0.447 4.927 4.480 -0.000 0.000 0.297 85 M C -1.000 175.357 176.300 0.094 0.000 1.229 85 M CA -0.474 54.922 55.300 0.159 0.000 0.860 85 M CB 2.995 35.699 32.600 0.174 0.000 1.741 85 M HN 0.685 nan 8.290 nan 0.000 0.462 86 T N 0.694 115.299 114.554 0.085 0.000 2.906 86 T HA 0.258 4.608 4.350 -0.000 0.000 0.302 86 T C -0.935 173.799 174.700 0.057 0.000 1.002 86 T CA -0.322 61.811 62.100 0.055 0.000 0.988 86 T CB 0.655 69.547 68.868 0.041 0.000 0.972 86 T HN 0.877 nan 8.240 nan 0.000 0.447 87 D N 2.779 123.211 120.400 0.054 0.000 2.737 87 D HA -0.137 4.503 4.640 -0.000 0.000 0.238 87 D C 1.237 177.599 176.300 0.102 0.000 1.157 87 D CA 1.962 56.002 54.000 0.067 0.000 0.694 87 D CB -1.160 39.670 40.800 0.049 0.000 1.021 87 D HN 1.221 nan 8.370 nan 0.000 0.420 88 G N 0.428 109.298 108.800 0.116 0.000 2.168 88 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 88 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 88 G C 0.332 175.312 174.900 0.133 0.000 0.997 88 G CA 0.706 45.925 45.100 0.197 0.000 0.708 88 G HN 0.679 nan 8.290 nan 0.000 0.520 89 R N -1.170 119.374 120.500 0.073 0.000 2.686 89 R HA 0.443 4.783 4.340 -0.000 0.000 0.283 89 R C -0.732 175.638 176.300 0.116 0.000 0.978 89 R CA -1.094 55.009 56.100 0.004 0.000 0.897 89 R CB 1.154 31.462 30.300 0.013 0.000 1.192 89 R HN 0.090 nan 8.270 nan 0.000 0.457 90 Y N 2.017 122.387 120.300 0.116 0.000 2.650 90 Y HA -0.064 4.486 4.550 -0.000 0.000 0.331 90 Y C 1.278 177.222 175.900 0.073 0.000 1.165 90 Y CA -0.510 57.656 58.100 0.109 0.000 1.473 90 Y CB -0.041 38.505 38.460 0.144 0.000 1.224 90 Y HN 0.679 nan 8.280 nan 0.000 0.533 91 D N -0.462 120.060 120.400 0.203 0.000 2.379 91 D HA 0.142 4.782 4.640 -0.000 0.000 0.208 91 D C 1.709 178.030 176.300 0.035 0.000 1.065 91 D CA 0.422 54.477 54.000 0.092 0.000 0.848 91 D CB 0.106 40.933 40.800 0.045 0.000 0.949 91 D HN 0.684 nan 8.370 nan 0.000 0.509 92 G N 0.966 109.791 108.800 0.042 0.000 2.180 92 G HA2 -0.462 3.498 3.960 -0.000 0.000 0.263 92 G HA3 -0.462 3.498 3.960 -0.000 0.000 0.263 92 G C 0.981 175.789 174.900 -0.153 0.000 0.989 92 G CA 0.881 45.959 45.100 -0.036 0.000 0.692 92 G HN 0.527 nan 8.290 nan 0.000 0.526 93 K N -1.280 118.987 120.400 -0.222 0.000 2.021 93 K HA 0.174 4.494 4.320 -0.000 0.000 0.205 93 K C 0.485 176.742 176.600 -0.572 0.000 1.047 93 K CA 0.974 56.978 56.287 -0.472 0.000 0.943 93 K CB 0.054 32.159 32.500 -0.659 0.000 0.725 93 K HN 0.404 nan 8.250 nan 0.000 0.439 94 Y N -0.565 119.613 120.300 -0.204 0.000 2.602 94 Y HA 0.503 5.053 4.550 -0.000 0.000 0.342 94 Y C -0.781 174.858 175.900 -0.436 0.000 1.029 94 Y CA -1.186 56.677 58.100 -0.396 0.000 1.080 94 Y CB 1.456 39.573 38.460 -0.572 0.000 1.284 94 Y HN -0.106 nan 8.280 nan 0.000 0.485 95 L N 1.936 122.903 121.223 -0.428 0.000 2.409 95 L HA 0.656 4.996 4.340 -0.000 0.000 0.272 95 L C -2.031 174.548 176.870 -0.486 0.000 0.980 95 L CA -0.378 54.222 54.840 -0.400 0.000 0.826 95 L CB 0.937 42.675 42.059 -0.534 0.000 1.268 95 L HN 0.518 nan 8.230 nan 0.000 0.407 96 F N 5.359 125.246 119.950 -0.105 0.000 2.492 96 F HA 0.699 5.226 4.527 -0.000 0.000 0.327 96 F C -0.018 175.756 175.800 -0.042 0.000 1.079 96 F CA -0.557 57.395 58.000 -0.081 0.000 0.967 96 F CB 1.980 40.944 39.000 -0.060 0.000 1.169 96 F HN 0.303 nan 8.300 nan 0.000 0.472 97 I N 1.488 122.160 120.570 0.170 0.000 2.918 97 I HA 0.306 4.476 4.170 -0.000 0.000 0.301 97 I C -1.502 174.724 176.117 0.181 0.000 1.312 97 I CA -0.726 60.659 61.300 0.142 0.000 1.007 97 I CB 2.274 40.326 38.000 0.088 0.000 1.281 97 I HN 0.837 nan 8.210 nan 0.000 0.440 98 N N 2.356 121.113 118.700 0.095 0.000 2.476 98 N HA 0.467 5.207 4.740 -0.000 0.000 0.275 98 N C -1.507 173.903 175.510 -0.166 0.000 1.190 98 N CA -0.554 52.483 53.050 -0.021 0.000 0.977 98 N CB 1.306 39.721 38.487 -0.120 0.000 1.200 98 N HN 0.411 nan 8.380 nan 0.000 0.515 99 D N -0.762 119.403 120.400 -0.392 0.000 2.421 99 D HA 0.155 4.795 4.640 -0.000 0.000 0.254 99 D C -0.105 175.925 176.300 -0.450 0.000 1.238 99 D CA -0.611 52.957 54.000 -0.720 0.000 0.919 99 D CB 1.184 41.167 40.800 -1.362 0.000 1.152 99 D HN 0.672 nan 8.370 nan 0.000 0.552 100 K N 2.420 122.593 120.400 -0.378 0.000 2.228 100 K HA 0.038 4.358 4.320 -0.000 0.000 0.202 100 K C 1.536 178.010 176.600 -0.210 0.000 1.051 100 K CA 0.908 57.011 56.287 -0.306 0.000 0.960 100 K CB 0.203 32.478 32.500 -0.374 0.000 0.743 100 K HN 0.403 nan 8.250 nan 0.000 0.458 101 A N 1.208 123.905 122.820 -0.206 0.000 1.897 101 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 101 A C 1.142 178.603 177.584 -0.204 0.000 1.181 101 A CA 1.161 53.113 52.037 -0.141 0.000 0.620 101 A CB -0.027 18.911 19.000 -0.103 0.000 0.821 101 A HN 0.326 nan 8.150 nan 0.000 0.443 102 N N -0.302 118.195 118.700 -0.338 0.000 2.365 102 N HA 0.112 4.852 4.740 -0.000 0.000 0.257 102 N C -0.950 174.390 175.510 -0.284 0.000 1.287 102 N CA 0.657 53.453 53.050 -0.423 0.000 0.882 102 N CB 0.614 38.553 38.487 -0.913 0.000 1.250 102 N HN 0.236 nan 8.380 nan 0.000 0.507 103 T N 0.859 115.282 114.554 -0.218 0.000 3.580 103 T HA -0.221 4.129 4.350 -0.000 0.000 0.402 103 T C 0.098 174.705 174.700 -0.155 0.000 0.765 103 T CA 0.898 62.911 62.100 -0.145 0.000 2.064 103 T CB -1.176 67.666 68.868 -0.043 0.000 1.724 103 T HN 0.441 nan 8.240 nan 0.000 0.719 104 R N -0.587 119.766 120.500 -0.245 0.000 2.799 104 R HA 0.803 5.143 4.340 -0.000 0.000 0.270 104 R C -0.992 175.247 176.300 -0.103 0.000 1.010 104 R CA -1.076 54.900 56.100 -0.207 0.000 0.916 104 R CB 2.093 32.256 30.300 -0.229 0.000 1.228 104 R HN 0.166 nan 8.270 nan 0.000 0.469 105 V N 0.721 120.645 119.914 0.016 0.000 2.789 105 V HA 0.795 4.915 4.120 -0.000 0.000 0.311 105 V C -0.793 175.407 176.094 0.177 0.000 1.073 105 V CA -0.726 61.634 62.300 0.101 0.000 0.921 105 V CB 1.881 33.709 31.823 0.009 0.000 1.009 105 V HN 0.940 nan 8.190 nan 0.000 0.426 106 A N 4.174 127.118 122.820 0.206 0.000 2.384 106 A HA 0.946 5.266 4.320 -0.000 0.000 0.312 106 A C -0.687 176.861 177.584 -0.059 0.000 1.113 106 A CA -0.811 51.237 52.037 0.019 0.000 0.779 106 A CB 1.917 20.782 19.000 -0.225 0.000 1.307 106 A HN 0.730 nan 8.150 nan 0.000 0.436 107 R N 1.751 122.125 120.500 -0.210 0.000 2.561 107 R HA 0.654 4.994 4.340 -0.000 0.000 0.297 107 R C -1.769 174.264 176.300 -0.444 0.000 0.969 107 R CA -0.442 55.364 56.100 -0.489 0.000 0.879 107 R CB 1.015 30.955 30.300 -0.601 0.000 1.178 107 R HN 0.727 nan 8.270 nan 0.000 0.445 108 I N 3.721 123.999 120.570 -0.488 0.000 2.441 108 I HA 0.403 4.573 4.170 -0.000 0.000 0.295 108 I C 0.435 176.383 176.117 -0.282 0.000 0.994 108 I CA -0.973 60.098 61.300 -0.382 0.000 1.144 108 I CB 1.892 39.658 38.000 -0.391 0.000 1.314 108 I HN 0.378 nan 8.210 nan 0.000 0.445 109 R N 5.765 126.134 120.500 -0.218 0.000 2.210 109 R HA 0.293 4.633 4.340 -0.000 0.000 0.338 109 R C 0.706 176.887 176.300 -0.200 0.000 1.062 109 R CA -0.277 55.748 56.100 -0.125 0.000 0.902 109 R CB 0.799 31.027 30.300 -0.121 0.000 1.050 109 R HN 0.669 nan 8.270 nan 0.000 0.461 110 L N 2.379 123.467 121.223 -0.225 0.000 2.376 110 L HA -0.155 4.185 4.340 -0.000 0.000 0.219 110 L C 1.751 178.502 176.870 -0.198 0.000 1.133 110 L CA 0.744 55.433 54.840 -0.253 0.000 0.816 110 L CB -0.256 41.628 42.059 -0.292 0.000 0.933 110 L HN 0.630 nan 8.230 nan 0.000 0.449 111 D N 1.124 121.418 120.400 -0.177 0.000 2.224 111 D HA -0.187 4.453 4.640 -0.000 0.000 0.205 111 D C 1.622 177.830 176.300 -0.153 0.000 0.965 111 D CA 1.205 55.115 54.000 -0.150 0.000 0.852 111 D CB -0.077 40.640 40.800 -0.138 0.000 0.947 111 D HN 0.596 nan 8.370 nan 0.000 0.494 112 I N -4.836 115.640 120.570 -0.158 0.000 4.240 112 I HA 0.261 4.431 4.170 -0.000 0.000 0.331 112 I C 0.009 176.050 176.117 -0.127 0.000 1.381 112 I CA -0.512 60.696 61.300 -0.154 0.000 1.136 112 I CB 0.263 38.174 38.000 -0.148 0.000 1.137 112 I HN -0.327 nan 8.210 nan 0.000 0.411 113 M N 1.582 121.088 119.600 -0.156 0.000 2.298 113 M HA -0.118 4.362 4.480 -0.000 0.000 0.196 113 M C -1.010 175.171 176.300 -0.197 0.000 0.531 113 M CA 1.228 56.431 55.300 -0.161 0.000 0.459 113 M CB -1.905 30.639 32.600 -0.093 0.000 1.279 113 M HN 0.421 nan 8.290 nan 0.000 0.915 114 K N -0.052 120.188 120.400 -0.266 0.000 2.464 114 K HA 0.547 4.867 4.320 -0.000 0.000 0.253 114 K C 0.006 176.338 176.600 -0.446 0.000 0.933 114 K CA -0.496 55.564 56.287 -0.379 0.000 0.801 114 K CB 1.610 33.849 32.500 -0.435 0.000 1.271 114 K HN 0.156 nan 8.250 nan 0.000 0.430 115 T N 1.864 116.044 114.554 -0.623 0.000 2.902 115 T HA -0.030 4.320 4.350 -0.000 0.000 0.301 115 T C 0.840 175.398 174.700 -0.236 0.000 1.012 115 T CA 0.546 62.343 62.100 -0.506 0.000 1.151 115 T CB 0.441 68.867 68.868 -0.736 0.000 0.946 115 T HN 0.487 nan 8.240 nan 0.000 0.542 116 D N 1.644 121.931 120.400 -0.188 0.000 2.525 116 D HA 0.132 4.772 4.640 -0.000 0.000 0.248 116 D C 0.251 176.524 176.300 -0.044 0.000 1.000 116 D CA 0.716 54.646 54.000 -0.117 0.000 0.923 116 D CB 0.483 41.180 40.800 -0.170 0.000 1.101 116 D HN 0.182 nan 8.370 nan 0.000 0.493 117 K N 0.134 120.482 120.400 -0.085 0.000 2.477 117 K HA 0.507 4.827 4.320 -0.000 0.000 0.255 117 K C -1.090 175.500 176.600 -0.018 0.000 0.952 117 K CA -0.646 55.616 56.287 -0.042 0.000 0.826 117 K CB 2.638 35.084 32.500 -0.091 0.000 1.331 117 K HN -0.001 nan 8.250 nan 0.000 0.437 118 I N 1.428 122.016 120.570 0.029 0.000 2.548 118 I HA 0.213 4.383 4.170 -0.000 0.000 0.287 118 I C -0.815 175.317 176.117 0.025 0.000 1.103 118 I CA -0.387 60.937 61.300 0.040 0.000 1.049 118 I CB 2.435 40.488 38.000 0.089 0.000 1.232 118 I HN 0.375 nan 8.210 nan 0.000 0.429 119 T N 3.695 118.241 114.554 -0.014 0.000 2.807 119 T HA 0.423 4.773 4.350 -0.000 0.000 0.279 119 T C -0.506 174.136 174.700 -0.098 0.000 0.993 119 T CA -0.609 61.484 62.100 -0.012 0.000 0.970 119 T CB 0.992 69.855 68.868 -0.009 0.000 0.950 119 T HN 0.329 nan 8.240 nan 0.000 0.441 120 H N 3.134 122.231 119.070 0.045 0.000 2.652 120 H HA 0.224 4.780 4.556 -0.000 0.000 0.298 120 H C 0.061 175.391 175.328 0.003 0.000 1.076 120 H CA -0.620 55.451 56.048 0.037 0.000 1.360 120 H CB 0.737 30.538 29.762 0.064 0.000 1.421 120 H HN 0.345 nan 8.280 nan 0.000 0.464 121 I N 6.601 127.202 120.570 0.051 0.000 2.396 121 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 121 I C -1.815 174.327 176.117 0.041 0.000 1.056 121 I CA -2.558 58.746 61.300 0.007 0.000 1.365 121 I CB 0.224 38.197 38.000 -0.046 0.000 1.407 121 I HN 0.318 nan 8.210 nan 0.000 0.509 122 P HA 0.155 nan 4.420 nan 0.000 0.276 122 P C -0.217 177.113 177.300 0.050 0.000 1.244 122 P CA -0.318 62.812 63.100 0.049 0.000 0.801 122 P CB 0.548 32.273 31.700 0.042 0.000 1.006 123 N N -1.978 116.760 118.700 0.063 0.000 2.701 123 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 123 N C -0.271 175.288 175.510 0.082 0.000 1.046 123 N CA 0.698 53.793 53.050 0.074 0.000 0.733 123 N CB -1.416 37.116 38.487 0.074 0.000 0.973 123 N HN 0.293 nan 8.380 nan 0.000 0.541 124 V N -0.558 119.400 119.914 0.073 0.000 3.232 124 V HA 0.419 4.539 4.120 -0.000 0.000 0.303 124 V C -1.204 174.929 176.094 0.066 0.000 1.311 124 V CA -0.690 61.653 62.300 0.072 0.000 1.061 124 V CB 2.740 34.589 31.823 0.044 0.000 1.085 124 V HN 0.149 nan 8.190 nan 0.000 0.447 125 Q N 1.683 121.523 119.800 0.066 0.000 2.315 125 Q HA 0.700 5.040 4.340 -0.000 0.000 0.273 125 Q C -0.600 175.380 176.000 -0.032 0.000 1.053 125 Q CA -0.123 55.719 55.803 0.065 0.000 0.817 125 Q CB 2.107 30.942 28.738 0.162 0.000 1.326 125 Q HN 1.658 nan 8.270 nan 0.000 0.423 126 A N 2.754 125.522 122.820 -0.087 0.000 1.940 126 A HA -0.136 4.184 4.320 -0.000 0.000 0.245 126 A C -0.461 176.972 177.584 -0.253 0.000 1.356 126 A CA -0.147 51.740 52.037 -0.249 0.000 0.699 126 A CB -1.238 17.387 19.000 -0.625 0.000 1.180 126 A HN 0.515 nan 8.150 nan 0.000 0.272 127 I N 4.052 124.506 120.570 -0.193 0.000 2.436 127 I HA 0.165 4.335 4.170 -0.000 0.000 0.289 127 I C 1.433 177.460 176.117 -0.150 0.000 1.083 127 I CA 0.847 62.057 61.300 -0.149 0.000 1.372 127 I CB 0.125 38.035 38.000 -0.149 0.000 1.408 127 I HN 0.850 nan 8.210 nan 0.000 0.516 128 H N 5.177 124.123 119.070 -0.207 0.000 2.772 128 H HA 0.228 4.784 4.556 -0.000 0.000 0.222 128 H C 0.871 176.233 175.328 0.057 0.000 1.135 128 H CA 0.119 56.037 56.048 -0.216 0.000 1.513 128 H CB 1.067 30.741 29.762 -0.146 0.000 1.377 128 H HN 0.582 nan 8.280 nan 0.000 0.524 129 G N 1.696 110.475 108.800 -0.034 0.000 2.340 129 G HA2 0.354 4.314 3.960 -0.000 0.000 0.245 129 G HA3 0.354 4.314 3.960 -0.000 0.000 0.245 129 G C -0.941 174.010 174.900 0.086 0.000 1.294 129 G CA -0.038 45.066 45.100 0.007 0.000 0.896 129 G HN 0.382 nan 8.290 nan 0.000 0.522 130 L N 2.377 123.678 121.223 0.129 0.000 2.526 130 L HA 0.772 5.112 4.340 -0.000 0.000 0.263 130 L C -0.566 176.308 176.870 0.006 0.000 0.943 130 L CA -0.908 53.984 54.840 0.086 0.000 0.859 130 L CB 1.653 43.788 42.059 0.127 0.000 1.313 130 L HN 0.665 nan 8.230 nan 0.000 0.406 131 R N 3.869 124.329 120.500 -0.065 0.000 2.716 131 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 131 R C -1.749 174.510 176.300 -0.068 0.000 1.028 131 R CA -0.888 55.063 56.100 -0.248 0.000 0.883 131 R CB 2.220 32.350 30.300 -0.284 0.000 1.250 131 R HN 0.537 nan 8.270 nan 0.000 0.465 132 L N 0.882 122.055 121.223 -0.083 0.000 2.332 132 L HA 0.469 4.809 4.340 -0.000 0.000 0.269 132 L C 0.323 177.215 176.870 0.037 0.000 1.016 132 L CA -0.890 53.893 54.840 -0.095 0.000 0.809 132 L CB 1.351 43.360 42.059 -0.083 0.000 1.280 132 L HN 0.500 nan 8.230 nan 0.000 0.447 133 Q N 0.938 120.710 119.800 -0.046 0.000 2.352 133 Q HA 0.110 4.450 4.340 -0.000 0.000 0.260 133 Q C -0.101 175.920 176.000 0.034 0.000 0.976 133 Q CA 0.042 55.913 55.803 0.113 0.000 0.881 133 Q CB 1.146 29.919 28.738 0.057 0.000 1.235 133 Q HN 0.580 nan 8.270 nan 0.000 0.419 134 K N 1.920 122.324 120.400 0.007 0.000 2.313 134 K HA 0.200 4.520 4.320 -0.000 0.000 0.197 134 K C -0.367 176.220 176.600 -0.023 0.000 1.061 134 K CA 0.211 56.453 56.287 -0.076 0.000 0.980 134 K CB 1.029 33.316 32.500 -0.355 0.000 0.888 134 K HN 0.355 nan 8.250 nan 0.000 0.502 135 V N 1.961 121.880 119.914 0.009 0.000 2.789 135 V HA 0.153 4.272 4.120 -0.000 0.000 0.311 135 V C -2.213 173.910 176.094 0.049 0.000 1.073 135 V CA -1.588 60.737 62.300 0.042 0.000 0.921 135 V CB 2.064 33.929 31.823 0.069 0.000 1.009 135 V HN -0.108 nan 8.190 nan 0.000 0.426 136 P HA -0.027 nan 4.420 nan 0.000 0.219 136 P C -0.114 177.200 177.300 0.022 0.000 1.150 136 P CA 1.075 64.191 63.100 0.026 0.000 0.814 136 P CB 0.213 31.921 31.700 0.014 0.000 0.787 137 K N -4.425 115.981 120.400 0.010 0.000 2.499 137 K HA 0.431 4.751 4.320 -0.000 0.000 0.284 137 K C -1.075 175.518 176.600 -0.011 0.000 1.039 137 K CA -0.865 55.428 56.287 0.009 0.000 0.873 137 K CB -0.061 32.442 32.500 0.004 0.000 1.545 137 K HN -0.519 nan 8.250 nan 0.000 0.402 138 T N 1.603 116.155 114.554 -0.004 0.000 2.987 138 T HA 0.149 4.499 4.350 -0.000 0.000 0.288 138 T C 0.098 174.727 174.700 -0.117 0.000 0.981 138 T CA -0.160 61.910 62.100 -0.051 0.000 1.031 138 T CB -0.711 68.165 68.868 0.013 0.000 0.976 138 T HN 0.540 nan 8.240 nan 0.000 0.612 139 N N 1.424 119.995 118.700 -0.215 0.000 2.454 139 N HA 0.090 4.830 4.740 -0.000 0.000 0.177 139 N C -0.554 174.635 175.510 -0.535 0.000 1.049 139 N CA 0.242 53.078 53.050 -0.356 0.000 0.887 139 N CB 0.494 38.719 38.487 -0.437 0.000 1.095 139 N HN 0.392 nan 8.380 nan 0.000 0.446 140 Y N 0.639 120.678 120.300 -0.435 0.000 2.409 140 Y HA 0.460 5.010 4.550 -0.000 0.000 0.339 140 Y C -0.283 175.018 175.900 -0.999 0.000 1.033 140 Y CA -1.066 56.578 58.100 -0.761 0.000 1.094 140 Y CB 1.413 39.271 38.460 -1.002 0.000 1.210 140 Y HN -0.336 nan 8.280 nan 0.000 0.456 141 V N 4.769 124.203 119.914 -0.800 0.000 2.384 141 V HA 0.351 4.471 4.120 -0.000 0.000 0.287 141 V C -0.884 174.745 176.094 -0.775 0.000 1.020 141 V CA -0.927 60.884 62.300 -0.815 0.000 0.850 141 V CB 0.568 31.894 31.823 -0.828 0.000 0.987 141 V HN 0.440 nan 8.190 nan 0.000 0.436 142 F N 3.588 123.319 119.950 -0.364 0.000 2.415 142 F HA 0.608 5.135 4.527 -0.000 0.000 0.348 142 F C 0.443 175.997 175.800 -0.409 0.000 1.119 142 F CA -0.707 57.010 58.000 -0.473 0.000 1.069 142 F CB 1.143 40.042 39.000 -0.169 0.000 1.124 142 F HN 0.395 nan 8.300 nan 0.000 0.472 143 C N 2.405 121.463 119.300 -0.404 0.000 2.563 143 C HA 0.506 4.966 4.460 -0.000 0.000 0.314 143 C C -0.270 174.604 174.990 -0.195 0.000 1.199 143 C CA -1.433 57.442 59.018 -0.239 0.000 1.564 143 C CB 1.153 28.754 27.740 -0.231 0.000 2.173 143 C HN 0.811 nan 8.230 nan 0.000 0.485 144 N N 0.465 119.159 118.700 -0.010 0.000 2.399 144 N HA 0.627 5.367 4.740 -0.000 0.000 0.295 144 N C -0.655 174.875 175.510 0.033 0.000 1.048 144 N CA -0.185 52.920 53.050 0.092 0.000 0.886 144 N CB 1.415 40.000 38.487 0.163 0.000 1.185 144 N HN 0.916 nan 8.380 nan 0.000 0.487 145 A N 1.484 124.330 122.820 0.043 0.000 2.260 145 A HA 0.166 4.486 4.320 -0.000 0.000 0.314 145 A C 0.828 178.399 177.584 -0.022 0.000 1.257 145 A CA -0.525 51.502 52.037 -0.015 0.000 0.871 145 A CB 0.733 19.742 19.000 0.016 0.000 1.166 145 A HN 0.872 nan 8.150 nan 0.000 0.522 146 E N 1.927 122.019 120.200 -0.180 0.000 2.112 146 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 146 E C -0.633 175.888 176.600 -0.133 0.000 0.979 146 E CA 0.775 57.032 56.400 -0.238 0.000 0.814 146 E CB 0.062 29.453 29.700 -0.516 0.000 0.762 146 E HN 0.658 nan 8.360 nan 0.000 0.460 147 F N 1.097 121.077 119.950 0.049 0.000 2.420 147 F HA 0.210 4.737 4.527 -0.000 0.000 0.342 147 F C 0.268 176.090 175.800 0.036 0.000 1.113 147 F CA -1.721 56.297 58.000 0.030 0.000 1.059 147 F CB 0.992 40.008 39.000 0.027 0.000 1.128 147 F HN -0.251 nan 8.300 nan 0.000 0.475 148 V N 3.278 123.321 119.914 0.215 0.000 2.686 148 V HA 0.711 4.831 4.120 -0.000 0.000 0.295 148 V C -0.107 176.058 176.094 0.119 0.000 1.055 148 V CA -0.636 61.741 62.300 0.129 0.000 1.050 148 V CB 0.847 32.691 31.823 0.035 0.000 0.984 148 V HN 0.732 nan 8.190 nan 0.000 0.482 149 I N -0.002 120.642 120.570 0.123 0.000 3.102 149 I HA 0.726 4.896 4.170 -0.000 0.000 0.310 149 I C -2.882 173.314 176.117 0.132 0.000 1.246 149 I CA -2.658 58.715 61.300 0.122 0.000 0.979 149 I CB 2.377 40.459 38.000 0.137 0.000 1.267 149 I HN 0.424 nan 8.210 nan 0.000 0.451 150 P HA 0.116 nan 4.420 nan 0.000 0.270 150 P C -1.481 175.904 177.300 0.140 0.000 1.223 150 P CA 0.062 63.240 63.100 0.130 0.000 0.785 150 P CB 0.583 32.338 31.700 0.092 0.000 0.923 151 Q N 1.589 121.478 119.800 0.149 0.000 2.347 151 Q HA 0.369 4.709 4.340 -0.000 0.000 0.265 151 Q C -1.895 174.156 176.000 0.085 0.000 1.024 151 Q CA -1.619 54.258 55.803 0.123 0.000 0.731 151 Q CB 1.435 30.258 28.738 0.142 0.000 1.245 151 Q HN 0.441 nan 8.270 nan 0.000 0.472 152 P HA 0.146 nan 4.420 nan 0.000 0.278 152 P C -0.550 176.788 177.300 0.065 0.000 1.258 152 P CA -0.538 62.602 63.100 0.066 0.000 0.811 152 P CB 0.927 32.658 31.700 0.051 0.000 1.063 153 N N 1.137 119.882 118.700 0.076 0.000 3.245 153 N HA -0.001 4.739 4.740 -0.000 0.000 0.296 153 N C 0.014 175.566 175.510 0.071 0.000 1.254 153 N CA -0.172 52.929 53.050 0.084 0.000 1.190 153 N CB -0.802 37.748 38.487 0.106 0.000 1.460 153 N HN 0.263 nan 8.380 nan 0.000 0.538 154 D N -0.582 119.840 120.400 0.036 0.000 2.349 154 D HA 0.187 4.826 4.640 -0.000 0.000 0.214 154 D C 1.174 177.472 176.300 -0.004 0.000 1.063 154 D CA 0.092 54.106 54.000 0.023 0.000 0.847 154 D CB -0.265 40.540 40.800 0.009 0.000 0.933 154 D HN 0.230 nan 8.370 nan 0.000 0.513 155 G N 0.332 109.107 108.800 -0.041 0.000 2.143 155 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.248 155 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.248 155 G C 1.036 175.660 174.900 -0.460 0.000 0.991 155 G CA 0.845 45.835 45.100 -0.184 0.000 0.689 155 G HN 0.625 nan 8.290 nan 0.000 0.522 156 T N -3.846 110.511 114.554 -0.328 0.000 3.060 156 T HA 0.409 4.759 4.350 -0.000 0.000 0.249 156 T C 0.367 174.866 174.700 -0.336 0.000 1.079 156 T CA 0.989 62.923 62.100 -0.277 0.000 1.013 156 T CB 0.725 69.514 68.868 -0.132 0.000 0.975 156 T HN 0.350 nan 8.240 nan 0.000 0.518 157 D N -0.226 119.912 120.400 -0.438 0.000 2.312 157 D HA 0.235 4.875 4.640 -0.000 0.000 0.229 157 D C -0.578 175.576 176.300 -0.243 0.000 1.337 157 D CA -0.768 53.055 54.000 -0.294 0.000 0.964 157 D CB 0.181 40.914 40.800 -0.111 0.000 1.456 157 D HN 0.019 nan 8.370 nan 0.000 0.547 158 F N 0.933 120.894 119.950 0.018 0.000 2.710 158 F HA 0.060 4.586 4.527 -0.000 0.000 0.298 158 F C 1.755 177.557 175.800 0.003 0.000 1.137 158 F CA -0.110 57.897 58.000 0.012 0.000 1.444 158 F CB -0.526 38.478 39.000 0.006 0.000 1.111 158 F HN 0.222 nan 8.300 nan 0.000 0.580 159 S N 1.162 116.949 115.700 0.144 0.000 2.573 159 S HA -0.051 4.418 4.470 -0.000 0.000 0.297 159 S C 1.191 175.815 174.600 0.042 0.000 1.280 159 S CA -0.371 57.878 58.200 0.080 0.000 1.061 159 S CB 0.399 63.626 63.200 0.046 0.000 0.812 159 S HN 0.379 nan 8.310 nan 0.000 0.500 160 L N 1.799 123.030 121.223 0.013 0.000 2.275 160 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 160 L C 1.823 178.638 176.870 -0.091 0.000 1.119 160 L CA 1.043 55.861 54.840 -0.035 0.000 0.790 160 L CB -0.638 41.400 42.059 -0.036 0.000 0.919 160 L HN 0.658 nan 8.230 nan 0.000 0.443 161 D N 0.021 120.389 120.400 -0.053 0.000 2.144 161 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 161 D C 1.371 177.617 176.300 -0.090 0.000 0.984 161 D CA 1.057 55.022 54.000 -0.059 0.000 0.834 161 D CB -0.095 40.704 40.800 -0.001 0.000 0.955 161 D HN 0.209 nan 8.370 nan 0.000 0.465 162 N N -0.066 118.614 118.700 -0.033 0.000 2.251 162 N HA 0.106 4.846 4.740 -0.000 0.000 0.217 162 N C -0.672 174.850 175.510 0.020 0.000 1.124 162 N CA 0.102 53.199 53.050 0.078 0.000 0.843 162 N CB 0.812 39.375 38.487 0.127 0.000 1.024 162 N HN -0.071 nan 8.380 nan 0.000 0.501 163 S N 0.586 116.151 115.700 -0.225 0.000 2.457 163 S HA 0.507 4.977 4.470 -0.000 0.000 0.289 163 S C -0.759 173.589 174.600 -0.420 0.000 1.163 163 S CA -0.291 57.821 58.200 -0.147 0.000 1.078 163 S CB 0.717 63.878 63.200 -0.066 0.000 0.987 163 S HN 0.142 nan 8.310 nan 0.000 0.482 164 Y N 0.154 120.512 120.300 0.097 0.000 2.669 164 Y HA 0.676 5.226 4.550 -0.000 0.000 0.335 164 Y C 0.608 176.581 175.900 0.122 0.000 1.116 164 Y CA -0.819 57.349 58.100 0.112 0.000 1.081 164 Y CB 1.773 40.302 38.460 0.115 0.000 1.297 164 Y HN 0.532 nan 8.280 nan 0.000 0.484 165 T N 0.636 115.381 114.554 0.319 0.000 2.864 165 T HA 0.804 5.154 4.350 -0.000 0.000 0.289 165 T C -1.202 173.648 174.700 0.250 0.000 1.082 165 T CA -0.662 61.578 62.100 0.234 0.000 1.009 165 T CB 0.926 69.907 68.868 0.188 0.000 1.234 165 T HN 0.546 nan 8.240 nan 0.000 0.526 166 M N 1.636 121.359 119.600 0.205 0.000 2.618 166 M HA 0.507 4.987 4.480 -0.000 0.000 0.281 166 M C -1.604 174.827 176.300 0.219 0.000 1.267 166 M CA -0.851 54.581 55.300 0.220 0.000 0.845 166 M CB 2.494 35.190 32.600 0.160 0.000 1.732 166 M HN 0.610 nan 8.290 nan 0.000 0.461 167 F N 1.024 121.007 119.950 0.055 0.000 2.410 167 F HA 0.594 5.121 4.527 -0.000 0.000 0.349 167 F C -0.700 175.037 175.800 -0.106 0.000 1.117 167 F CA -0.012 57.923 58.000 -0.108 0.000 1.104 167 F CB 1.140 39.882 39.000 -0.431 0.000 1.122 167 F HN 0.426 nan 8.300 nan 0.000 0.483 168 T N 5.653 119.761 114.554 -0.744 0.000 2.829 168 T HA 0.743 5.093 4.350 -0.000 0.000 0.280 168 T C -0.763 173.364 174.700 -0.956 0.000 0.999 168 T CA -0.585 61.128 62.100 -0.645 0.000 0.983 168 T CB 1.365 70.010 68.868 -0.372 0.000 0.968 168 T HN 0.764 nan 8.240 nan 0.000 0.446 169 A N 3.753 125.940 122.820 -1.055 0.000 2.303 169 A HA 0.806 5.126 4.320 -0.000 0.000 0.320 169 A C -0.413 176.666 177.584 -0.842 0.000 1.192 169 A CA -0.721 50.573 52.037 -1.238 0.000 0.821 169 A CB 0.235 17.781 19.000 -2.423 0.000 1.188 169 A HN 0.858 nan 8.150 nan 0.000 0.492 170 I N 1.415 121.621 120.570 -0.607 0.000 2.441 170 I HA 0.224 4.394 4.170 -0.000 0.000 0.295 170 I C -0.408 175.505 176.117 -0.340 0.000 0.994 170 I CA -0.734 60.320 61.300 -0.410 0.000 1.144 170 I CB 2.013 39.804 38.000 -0.348 0.000 1.314 170 I HN 0.723 nan 8.210 nan 0.000 0.445 171 D N 4.147 124.394 120.400 -0.256 0.000 2.358 171 D HA 0.250 4.890 4.640 -0.000 0.000 0.258 171 D C 1.029 177.188 176.300 -0.234 0.000 1.223 171 D CA 0.114 53.966 54.000 -0.246 0.000 0.886 171 D CB 1.528 42.219 40.800 -0.181 0.000 1.120 171 D HN 0.639 nan 8.370 nan 0.000 0.482 172 A N 4.556 127.210 122.820 -0.277 0.000 1.908 172 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 172 A C 1.897 179.459 177.584 -0.037 0.000 1.181 172 A CA 1.208 53.131 52.037 -0.191 0.000 0.627 172 A CB -0.338 18.552 19.000 -0.183 0.000 0.818 172 A HN 0.672 nan 8.150 nan 0.000 0.445 173 E N -0.906 119.264 120.200 -0.050 0.000 2.285 173 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 173 E C 1.593 178.156 176.600 -0.062 0.000 0.997 173 E CA 1.452 57.842 56.400 -0.017 0.000 0.845 173 E CB -0.260 29.451 29.700 0.019 0.000 0.782 173 E HN 0.634 nan 8.360 nan 0.000 0.491 174 T N 0.004 114.512 114.554 -0.078 0.000 2.990 174 T HA 0.095 4.445 4.350 -0.000 0.000 0.249 174 T C 0.847 175.503 174.700 -0.073 0.000 1.039 174 T CA -0.110 61.949 62.100 -0.068 0.000 1.036 174 T CB 0.400 69.230 68.868 -0.062 0.000 0.994 174 T HN -0.052 nan 8.240 nan 0.000 0.489 175 M N 1.456 121.004 119.600 -0.087 0.000 2.872 175 M HA -0.124 4.356 4.480 -0.000 0.000 0.200 175 M C -1.426 174.831 176.300 -0.073 0.000 0.582 175 M CA 0.566 55.823 55.300 -0.073 0.000 0.706 175 M CB -1.866 30.702 32.600 -0.053 0.000 2.560 175 M HN 0.210 nan 8.290 nan 0.000 0.476 176 D N 0.024 120.373 120.400 -0.085 0.000 2.163 176 D HA 0.519 5.159 4.640 -0.000 0.000 0.248 176 D C 0.183 176.413 176.300 -0.117 0.000 1.035 176 D CA -0.379 53.577 54.000 -0.074 0.000 0.872 176 D CB 1.714 42.480 40.800 -0.056 0.000 1.183 176 D HN -0.028 nan 8.370 nan 0.000 0.445 177 V N 1.977 121.822 119.914 -0.115 0.000 2.599 177 V HA 0.138 4.258 4.120 -0.000 0.000 0.300 177 V C 1.308 177.297 176.094 -0.175 0.000 1.034 177 V CA 0.333 62.530 62.300 -0.172 0.000 1.115 177 V CB 0.944 32.687 31.823 -0.133 0.000 0.934 177 V HN 0.768 nan 8.190 nan 0.000 0.485 178 A N 5.919 128.570 122.820 -0.281 0.000 1.901 178 A HA 0.299 4.619 4.320 -0.000 0.000 0.210 178 A C 0.612 178.130 177.584 -0.110 0.000 1.208 178 A CA 0.698 52.602 52.037 -0.221 0.000 0.644 178 A CB 0.344 19.175 19.000 -0.283 0.000 0.863 178 A HN 0.977 nan 8.150 nan 0.000 0.454 179 W N -2.563 118.643 121.300 -0.156 0.000 3.057 179 W HA 0.597 5.257 4.660 -0.000 0.000 0.328 179 W C -1.887 174.522 176.519 -0.184 0.000 1.232 179 W CA -0.832 56.398 57.345 -0.191 0.000 1.187 179 W CB 0.218 29.549 29.460 -0.215 0.000 1.417 179 W HN 0.088 nan 8.180 nan 0.000 0.569 180 Q N 1.045 121.016 119.800 0.285 0.000 2.397 180 Q HA 0.604 4.944 4.340 -0.000 0.000 0.275 180 Q C -1.264 174.878 176.000 0.237 0.000 1.090 180 Q CA -1.166 54.757 55.803 0.199 0.000 0.809 180 Q CB 3.475 32.259 28.738 0.076 0.000 1.362 180 Q HN 0.267 nan 8.270 nan 0.000 0.431 181 V N 3.049 123.129 119.914 0.276 0.000 2.376 181 V HA 0.388 4.508 4.120 -0.000 0.000 0.287 181 V C -0.184 176.081 176.094 0.284 0.000 1.015 181 V CA -0.605 61.849 62.300 0.258 0.000 0.834 181 V CB 1.185 33.237 31.823 0.382 0.000 1.001 181 V HN 0.664 nan 8.190 nan 0.000 0.428 182 I N 5.885 126.579 120.570 0.206 0.000 2.588 182 I HA 0.360 4.530 4.170 -0.000 0.000 0.283 182 I C 0.319 176.591 176.117 0.258 0.000 1.119 182 I CA 0.171 61.590 61.300 0.198 0.000 1.419 182 I CB 1.031 39.083 38.000 0.086 0.000 1.394 182 I HN 0.560 nan 8.210 nan 0.000 0.562 183 V N 2.185 122.289 119.914 0.317 0.000 3.156 183 V HA 0.611 4.731 4.120 -0.000 0.000 0.311 183 V C -0.669 175.677 176.094 0.420 0.000 1.208 183 V CA -0.958 61.571 62.300 0.382 0.000 1.063 183 V CB 2.061 34.145 31.823 0.435 0.000 1.098 183 V HN 0.523 nan 8.190 nan 0.000 0.452 184 D N -0.164 120.505 120.400 0.448 0.000 2.387 184 D HA 0.610 5.250 4.640 -0.000 0.000 0.255 184 D C 0.771 177.433 176.300 0.604 0.000 1.081 184 D CA 1.179 55.430 54.000 0.420 0.000 0.994 184 D CB 1.451 42.305 40.800 0.091 0.000 1.127 184 D HN 1.375 nan 8.370 nan 0.000 0.513 185 G N 1.002 110.066 108.800 0.440 0.000 2.594 185 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.297 185 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.297 185 G C 0.073 175.063 174.900 0.151 0.000 1.273 185 G CA 0.830 46.052 45.100 0.203 0.000 0.974 185 G HN 0.862 nan 8.290 nan 0.000 0.552 186 N N -2.206 116.517 118.700 0.037 0.000 3.283 186 N HA 0.748 5.488 4.740 -0.000 0.000 0.338 186 N C -1.002 174.567 175.510 0.098 0.000 1.517 186 N CA -1.246 51.824 53.050 0.032 0.000 0.733 186 N CB 1.502 39.900 38.487 -0.147 0.000 1.797 186 N HN 0.673 nan 8.380 nan 0.000 0.637 187 L N -0.221 121.060 121.223 0.097 0.000 2.410 187 L HA 0.388 4.728 4.340 -0.000 0.000 0.270 187 L C -0.317 176.673 176.870 0.199 0.000 0.983 187 L CA -0.680 54.267 54.840 0.178 0.000 0.822 187 L CB 1.883 44.087 42.059 0.242 0.000 1.285 187 L HN 0.737 nan 8.230 nan 0.000 0.409 188 D N 1.138 121.688 120.400 0.250 0.000 2.818 188 D HA 0.173 4.813 4.640 -0.000 0.000 0.250 188 D C -0.059 176.377 176.300 0.228 0.000 1.496 188 D CA 0.355 54.579 54.000 0.374 0.000 1.192 188 D CB 0.607 41.654 40.800 0.412 0.000 0.963 188 D HN 0.584 nan 8.370 nan 0.000 0.259 189 N N -1.215 117.540 118.700 0.091 0.000 2.483 189 N HA 0.495 5.235 4.740 -0.000 0.000 0.285 189 N C -0.805 174.710 175.510 0.008 0.000 1.210 189 N CA -0.382 52.649 53.050 -0.032 0.000 0.931 189 N CB 2.247 40.664 38.487 -0.117 0.000 1.220 189 N HN 0.030 nan 8.380 nan 0.000 0.542 190 T N -0.821 113.720 114.554 -0.022 0.000 2.843 190 T HA 0.425 4.775 4.350 -0.000 0.000 0.302 190 T C -2.208 172.475 174.700 -0.029 0.000 1.232 190 T CA -0.518 61.578 62.100 -0.007 0.000 1.009 190 T CB 1.335 70.264 68.868 0.102 0.000 1.254 190 T HN 0.436 nan 8.240 nan 0.000 0.504 191 D N -0.238 120.130 120.400 -0.054 0.000 2.622 191 D HA 0.680 5.320 4.640 -0.000 0.000 0.255 191 D C -1.290 175.056 176.300 0.076 0.000 1.246 191 D CA -0.193 53.830 54.000 0.038 0.000 0.795 191 D CB 2.251 43.140 40.800 0.147 0.000 1.369 191 D HN 0.836 nan 8.370 nan 0.000 0.425 192 A N 0.720 123.681 122.820 0.236 0.000 2.346 192 A HA 0.709 5.029 4.320 -0.000 0.000 0.313 192 A C -0.344 177.476 177.584 0.393 0.000 1.140 192 A CA -0.480 51.746 52.037 0.315 0.000 0.826 192 A CB 1.177 20.348 19.000 0.285 0.000 1.332 192 A HN 0.578 nan 8.150 nan 0.000 0.457 193 D N -1.391 119.206 120.400 0.329 0.000 2.507 193 D HA 0.239 4.879 4.640 -0.000 0.000 0.280 193 D C -0.769 175.527 176.300 -0.008 0.000 1.219 193 D CA -0.033 54.034 54.000 0.112 0.000 1.085 193 D CB 0.052 40.921 40.800 0.114 0.000 1.134 193 D HN 0.371 nan 8.370 nan 0.000 0.583 194 Y N -1.462 118.840 120.300 0.004 0.000 2.781 194 Y HA 0.257 4.807 4.550 -0.000 0.000 0.326 194 Y C 1.231 177.138 175.900 0.011 0.000 1.019 194 Y CA 0.010 58.114 58.100 0.008 0.000 1.372 194 Y CB 0.387 38.824 38.460 -0.038 0.000 1.260 194 Y HN 0.586 nan 8.280 nan 0.000 0.546 195 T N -6.435 108.189 114.554 0.116 0.000 3.098 195 T HA 0.376 4.726 4.350 -0.000 0.000 0.256 195 T C 1.626 176.356 174.700 0.050 0.000 0.921 195 T CA 0.643 62.785 62.100 0.070 0.000 0.916 195 T CB 0.363 69.255 68.868 0.040 0.000 1.246 195 T HN 0.307 nan 8.240 nan 0.000 0.511 196 G N 1.703 110.545 108.800 0.071 0.000 2.213 196 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.226 196 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.226 196 G C 0.755 175.697 174.900 0.070 0.000 0.992 196 G CA 0.732 45.898 45.100 0.110 0.000 0.632 196 G HN 0.723 nan 8.290 nan 0.000 0.511 197 K N -0.728 119.615 120.400 -0.095 0.000 2.137 197 K HA 0.236 4.556 4.320 -0.000 0.000 0.202 197 K C 0.253 176.571 176.600 -0.470 0.000 1.052 197 K CA 0.621 56.686 56.287 -0.370 0.000 0.961 197 K CB 0.034 32.121 32.500 -0.687 0.000 0.741 197 K HN 0.369 nan 8.250 nan 0.000 0.452 198 Y N -0.456 119.889 120.300 0.076 0.000 2.509 198 Y HA 0.618 5.168 4.550 -0.000 0.000 0.341 198 Y C -0.265 175.701 175.900 0.111 0.000 1.038 198 Y CA -1.227 56.928 58.100 0.090 0.000 1.089 198 Y CB 2.154 40.725 38.460 0.186 0.000 1.241 198 Y HN -0.004 nan 8.280 nan 0.000 0.468 199 A N 0.898 123.812 122.820 0.157 0.000 2.572 199 A HA 0.872 5.192 4.320 -0.000 0.000 0.295 199 A C -0.843 176.626 177.584 -0.192 0.000 1.072 199 A CA -0.535 51.410 52.037 -0.155 0.000 0.691 199 A CB 1.474 20.035 19.000 -0.732 0.000 1.291 199 A HN 0.804 nan 8.150 nan 0.000 0.404 200 T N -1.441 112.863 114.554 -0.418 0.000 2.900 200 T HA 0.837 5.187 4.350 -0.000 0.000 0.303 200 T C -0.552 173.997 174.700 -0.252 0.000 1.142 200 T CA -0.529 61.313 62.100 -0.429 0.000 1.007 200 T CB 1.623 69.981 68.868 -0.850 0.000 1.156 200 T HN 0.950 nan 8.240 nan 0.000 0.490 201 S N 1.077 116.714 115.700 -0.104 0.000 2.549 201 S HA 0.797 5.267 4.470 -0.000 0.000 0.280 201 S C -0.008 174.627 174.600 0.057 0.000 1.109 201 S CA -0.975 57.238 58.200 0.022 0.000 0.905 201 S CB 1.941 65.240 63.200 0.165 0.000 1.081 201 S HN 1.160 nan 8.310 nan 0.000 0.477 202 T N -1.376 113.228 114.554 0.083 0.000 2.874 202 T HA 0.675 5.025 4.350 -0.000 0.000 0.281 202 T C -0.124 174.659 174.700 0.138 0.000 0.994 202 T CA -0.737 61.429 62.100 0.109 0.000 1.015 202 T CB 1.064 69.987 68.868 0.092 0.000 1.028 202 T HN 0.751 nan 8.240 nan 0.000 0.523 203 C N 2.839 122.176 119.300 0.061 0.000 2.686 203 C HA 0.714 5.174 4.460 -0.000 0.000 0.318 203 C C 0.017 174.929 174.990 -0.129 0.000 1.160 203 C CA -0.814 58.147 59.018 -0.095 0.000 1.396 203 C CB -0.166 27.360 27.740 -0.356 0.000 1.924 203 C HN 1.058 nan 8.230 nan 0.000 0.471 204 Y N 2.821 123.050 120.300 -0.119 0.000 2.471 204 Y HA 0.499 5.049 4.550 -0.000 0.000 0.249 204 Y C 0.444 176.263 175.900 -0.136 0.000 1.116 204 Y CA 0.006 58.038 58.100 -0.112 0.000 1.240 204 Y CB -0.270 38.178 38.460 -0.020 0.000 1.251 204 Y HN 0.521 nan 8.280 nan 0.000 0.527 205 N N 1.194 119.551 118.700 -0.571 0.000 2.757 205 N HA 0.099 4.839 4.740 -0.000 0.000 0.296 205 N C 0.552 175.851 175.510 -0.351 0.000 1.874 205 N CA 0.428 53.237 53.050 -0.402 0.000 0.885 205 N CB 0.379 38.582 38.487 -0.473 0.000 1.242 205 N HN 0.314 nan 8.380 nan 0.000 0.488 206 S N -0.248 115.176 115.700 -0.461 0.000 2.447 206 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 206 S C 1.059 175.539 174.600 -0.201 0.000 1.006 206 S CA 0.731 58.608 58.200 -0.540 0.000 0.957 206 S CB -0.083 62.536 63.200 -0.968 0.000 0.773 206 S HN 0.357 nan 8.310 nan 0.000 0.507 207 E N 1.186 121.289 120.200 -0.162 0.000 2.427 207 E HA 0.195 4.545 4.350 -0.000 0.000 0.196 207 E C 0.393 176.951 176.600 -0.071 0.000 1.028 207 E CA -0.093 56.257 56.400 -0.084 0.000 0.864 207 E CB -0.359 29.301 29.700 -0.067 0.000 0.813 207 E HN 0.422 nan 8.360 nan 0.000 0.514 208 R N -0.214 120.230 120.500 -0.092 0.000 3.322 208 R HA -0.212 4.128 4.340 -0.000 0.000 0.253 208 R C -0.441 175.821 176.300 -0.065 0.000 0.987 208 R CA 0.373 56.422 56.100 -0.084 0.000 0.666 208 R CB -2.071 28.167 30.300 -0.102 0.000 1.072 208 R HN 0.253 nan 8.270 nan 0.000 0.447 209 A N -0.490 122.300 122.820 -0.051 0.000 2.284 209 A HA 0.679 4.999 4.320 -0.000 0.000 0.317 209 A C 0.739 178.307 177.584 -0.028 0.000 1.120 209 A CA -0.100 51.916 52.037 -0.035 0.000 0.900 209 A CB 1.671 20.655 19.000 -0.026 0.000 1.319 209 A HN 0.121 nan 8.150 nan 0.000 0.494 210 V N -0.496 119.400 119.914 -0.029 0.000 2.996 210 V HA 0.136 4.255 4.120 -0.000 0.000 0.235 210 V C 0.185 176.261 176.094 -0.030 0.000 1.205 210 V CA 1.171 63.448 62.300 -0.040 0.000 1.225 210 V CB -0.311 31.476 31.823 -0.059 0.000 0.995 210 V HN 0.958 nan 8.190 nan 0.000 0.484 211 D N 0.851 121.236 120.400 -0.026 0.000 2.423 211 D HA -0.031 4.609 4.640 -0.000 0.000 0.238 211 D C 1.418 177.712 176.300 -0.010 0.000 1.142 211 D CA 0.057 54.044 54.000 -0.021 0.000 0.884 211 D CB 1.449 42.237 40.800 -0.020 0.000 1.199 211 D HN 0.341 nan 8.370 nan 0.000 0.438 212 L N 1.916 123.133 121.223 -0.010 0.000 1.963 212 L HA -0.343 3.997 4.340 -0.000 0.000 0.220 212 L C 2.633 179.502 176.870 -0.002 0.000 1.076 212 L CA 2.387 57.224 54.840 -0.005 0.000 0.772 212 L CB -0.700 41.352 42.059 -0.012 0.000 0.892 212 L HN 0.690 nan 8.230 nan 0.000 0.435 213 A N -0.332 122.484 122.820 -0.007 0.000 1.971 213 A HA -0.272 4.048 4.320 -0.000 0.000 0.222 213 A C 2.201 179.781 177.584 -0.007 0.000 1.182 213 A CA 2.177 54.210 52.037 -0.007 0.000 0.649 213 A CB -1.395 17.600 19.000 -0.008 0.000 0.818 213 A HN 0.619 nan 8.150 nan 0.000 0.458 214 G N -1.383 107.412 108.800 -0.008 0.000 2.464 214 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.217 214 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.217 214 G C 1.544 176.438 174.900 -0.010 0.000 1.138 214 G CA 1.692 46.785 45.100 -0.011 0.000 0.793 214 G HN 0.781 nan 8.290 nan 0.000 0.539 215 T N -2.238 112.320 114.554 0.007 0.000 3.113 215 T HA 0.244 4.594 4.350 -0.000 0.000 0.256 215 T C 1.905 176.622 174.700 0.028 0.000 1.131 215 T CA 0.302 62.419 62.100 0.029 0.000 1.074 215 T CB -0.061 68.867 68.868 0.100 0.000 0.944 215 T HN 0.224 nan 8.240 nan 0.000 0.516 216 M N -0.509 119.096 119.600 0.007 0.000 2.313 216 M HA 0.392 4.872 4.480 -0.000 0.000 0.273 216 M C 2.138 178.432 176.300 -0.011 0.000 1.049 216 M CA -0.422 54.878 55.300 -0.001 0.000 1.004 216 M CB 0.357 32.955 32.600 -0.004 0.000 1.461 216 M HN 0.098 nan 8.290 nan 0.000 0.514 217 R N 1.716 122.207 120.500 -0.015 0.000 2.127 217 R HA -0.095 4.245 4.340 -0.000 0.000 0.228 217 R C 0.283 176.573 176.300 -0.017 0.000 1.125 217 R CA 1.530 57.621 56.100 -0.016 0.000 0.904 217 R CB -0.149 30.140 30.300 -0.018 0.000 0.831 217 R HN 0.325 nan 8.270 nan 0.000 0.431 218 N N 1.728 120.412 118.700 -0.027 0.000 2.407 218 N HA -0.081 4.659 4.740 -0.000 0.000 0.250 218 N C 0.218 175.717 175.510 -0.019 0.000 1.236 218 N CA 0.368 53.404 53.050 -0.024 0.000 0.879 218 N CB 0.443 38.905 38.487 -0.041 0.000 1.088 218 N HN 0.273 nan 8.380 nan 0.000 0.450 219 D N 1.162 121.558 120.400 -0.007 0.000 2.219 219 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 219 D C 0.178 176.476 176.300 -0.002 0.000 0.970 219 D CA 1.344 55.343 54.000 -0.002 0.000 0.851 219 D CB 0.490 41.294 40.800 0.007 0.000 0.943 219 D HN 0.416 nan 8.370 nan 0.000 0.488 220 R N 0.034 120.532 120.500 -0.003 0.000 2.725 220 R HA 0.283 4.623 4.340 -0.000 0.000 0.277 220 R C -0.263 176.014 176.300 -0.040 0.000 0.987 220 R CA -0.658 55.443 56.100 0.001 0.000 0.901 220 R CB 2.493 32.817 30.300 0.041 0.000 1.207 220 R HN -0.142 nan 8.270 nan 0.000 0.463 221 D N 0.288 120.638 120.400 -0.083 0.000 2.995 221 D HA 0.414 5.054 4.640 -0.000 0.000 0.208 221 D C -0.398 175.861 176.300 -0.069 0.000 1.222 221 D CA 0.242 54.063 54.000 -0.298 0.000 1.201 221 D CB 0.605 41.184 40.800 -0.369 0.000 1.099 221 D HN 0.408 nan 8.370 nan 0.000 0.449 222 W N -1.029 120.305 121.300 0.057 0.000 2.791 222 W HA 0.552 5.212 4.660 -0.000 0.000 0.419 222 W C -2.248 174.290 176.519 0.031 0.000 1.082 222 W CA -0.874 56.503 57.345 0.054 0.000 1.154 222 W CB 0.127 29.651 29.460 0.106 0.000 1.472 222 W HN -0.030 nan 8.180 nan 0.000 0.584 223 V N 2.407 122.570 119.914 0.415 0.000 2.483 223 V HA 0.545 4.665 4.120 -0.000 0.000 0.297 223 V C -0.541 175.561 176.094 0.013 0.000 1.027 223 V CA -1.060 61.348 62.300 0.180 0.000 0.855 223 V CB 1.324 33.176 31.823 0.048 0.000 0.995 223 V HN 0.515 nan 8.190 nan 0.000 0.424 224 V N 5.955 125.803 119.914 -0.110 0.000 2.432 224 V HA 0.414 4.534 4.120 -0.000 0.000 0.275 224 V C 0.069 175.723 176.094 -0.734 0.000 1.043 224 V CA -0.494 61.425 62.300 -0.635 0.000 0.925 224 V CB 1.508 32.865 31.823 -0.777 0.000 0.985 224 V HN 0.568 nan 8.190 nan 0.000 0.466 225 V N 5.603 125.088 119.914 -0.716 0.000 2.435 225 V HA 0.505 4.625 4.120 -0.000 0.000 0.290 225 V C -0.467 175.335 176.094 -0.487 0.000 1.030 225 V CA -0.405 61.638 62.300 -0.429 0.000 0.881 225 V CB 1.335 33.097 31.823 -0.102 0.000 0.983 225 V HN 0.655 nan 8.190 nan 0.000 0.445 226 F N 2.776 122.631 119.950 -0.159 0.000 2.443 226 F HA 0.431 4.958 4.527 -0.000 0.000 0.335 226 F C 0.712 176.488 175.800 -0.039 0.000 1.104 226 F CA -0.672 57.244 58.000 -0.140 0.000 1.013 226 F CB 1.113 39.894 39.000 -0.365 0.000 1.136 226 F HN 0.374 nan 8.300 nan 0.000 0.470 227 N N 2.844 121.568 118.700 0.040 0.000 2.767 227 N HA 0.121 4.861 4.740 -0.000 0.000 0.238 227 N C 0.851 176.308 175.510 -0.088 0.000 1.083 227 N CA 0.062 53.002 53.050 -0.185 0.000 0.964 227 N CB 0.948 39.147 38.487 -0.480 0.000 1.252 227 N HN 0.478 nan 8.380 nan 0.000 0.512 228 V N 2.529 122.414 119.914 -0.047 0.000 2.380 228 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 228 V C 2.257 178.326 176.094 -0.042 0.000 1.063 228 V CA 1.674 63.980 62.300 0.011 0.000 1.055 228 V CB -0.480 31.454 31.823 0.185 0.000 0.657 228 V HN 0.638 nan 8.190 nan 0.000 0.455 229 E N 0.121 120.269 120.200 -0.086 0.000 2.038 229 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 229 E C 2.542 179.111 176.600 -0.050 0.000 1.000 229 E CA 1.581 57.942 56.400 -0.064 0.000 0.803 229 E CB -0.069 29.551 29.700 -0.133 0.000 0.750 229 E HN 0.525 nan 8.360 nan 0.000 0.448 230 R N 0.057 120.528 120.500 -0.048 0.000 2.073 230 R HA -0.109 4.230 4.340 -0.000 0.000 0.234 230 R C 2.533 178.886 176.300 0.089 0.000 1.134 230 R CA 1.460 57.595 56.100 0.058 0.000 0.952 230 R CB -0.348 30.020 30.300 0.114 0.000 0.850 230 R HN 0.291 nan 8.270 nan 0.000 0.433 231 I N 0.638 121.149 120.570 -0.098 0.000 2.208 231 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 231 I C 2.617 178.349 176.117 -0.643 0.000 1.097 231 I CA 1.389 62.327 61.300 -0.604 0.000 1.363 231 I CB -0.473 36.934 38.000 -0.989 0.000 1.051 231 I HN 0.220 nan 8.210 nan 0.000 0.413 232 A N 0.722 123.284 122.820 -0.430 0.000 1.898 232 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 232 A C 2.560 180.091 177.584 -0.089 0.000 1.181 232 A CA 1.762 53.670 52.037 -0.215 0.000 0.620 232 A CB -0.774 18.279 19.000 0.088 0.000 0.819 232 A HN 0.434 nan 8.150 nan 0.000 0.442 233 A N -0.006 122.791 122.820 -0.039 0.000 1.877 233 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 233 A C 2.526 180.132 177.584 0.037 0.000 1.186 233 A CA 2.185 54.233 52.037 0.018 0.000 0.620 233 A CB -1.103 17.918 19.000 0.034 0.000 0.822 233 A HN 1.090 nan 8.150 nan 0.000 0.443 234 A N -0.619 122.230 122.820 0.049 0.000 1.940 234 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 234 A C 2.207 179.849 177.584 0.096 0.000 1.176 234 A CA 1.912 54.016 52.037 0.112 0.000 0.631 234 A CB -0.881 18.258 19.000 0.232 0.000 0.814 234 A HN 0.435 nan 8.150 nan 0.000 0.446 235 V N 0.066 119.965 119.914 -0.025 0.000 2.453 235 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 235 V C 2.473 178.646 176.094 0.132 0.000 1.048 235 V CA 2.177 64.492 62.300 0.026 0.000 1.049 235 V CB -0.606 31.089 31.823 -0.212 0.000 0.672 235 V HN 0.678 nan 8.190 nan 0.000 0.457 236 K N 0.792 121.240 120.400 0.080 0.000 2.097 236 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 236 K C 1.922 178.595 176.600 0.122 0.000 1.050 236 K CA 1.414 57.759 56.287 0.097 0.000 0.938 236 K CB -0.232 32.309 32.500 0.068 0.000 0.718 236 K HN 0.439 nan 8.250 nan 0.000 0.442 237 A N 0.181 123.070 122.820 0.115 0.000 2.235 237 A HA 0.156 4.476 4.320 -0.000 0.000 0.208 237 A C 1.308 178.953 177.584 0.102 0.000 1.172 237 A CA 0.913 53.007 52.037 0.094 0.000 0.786 237 A CB -0.542 18.502 19.000 0.074 0.000 0.804 237 A HN 0.587 nan 8.150 nan 0.000 0.479 238 G N -0.461 108.458 108.800 0.199 0.000 2.162 238 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 238 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 238 G C -0.022 174.774 174.900 -0.174 0.000 0.976 238 G CA 0.160 45.323 45.100 0.105 0.000 0.655 238 G HN 0.510 nan 8.290 nan 0.000 0.533 239 N N 0.842 119.569 118.700 0.046 0.000 2.807 239 N HA 0.532 5.272 4.740 -0.000 0.000 0.259 239 N C -0.190 175.386 175.510 0.111 0.000 1.149 239 N CA 0.820 53.872 53.050 0.003 0.000 1.042 239 N CB -0.347 38.190 38.487 0.083 0.000 1.367 239 N HN 0.673 nan 8.380 nan 0.000 0.516 240 F N -1.433 118.530 119.950 0.021 0.000 2.779 240 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 240 F C -0.828 174.984 175.800 0.020 0.000 1.164 240 F CA -1.250 56.756 58.000 0.011 0.000 0.924 240 F CB 1.273 40.266 39.000 -0.011 0.000 1.348 240 F HN -0.245 nan 8.300 nan 0.000 0.467 241 K N -0.308 120.267 120.400 0.291 0.000 2.349 241 K HA 0.795 5.115 4.320 -0.000 0.000 0.243 241 K C -1.351 175.418 176.600 0.283 0.000 1.058 241 K CA -0.945 55.447 56.287 0.176 0.000 0.871 241 K CB 2.310 34.865 32.500 0.091 0.000 1.337 241 K HN 0.882 nan 8.250 nan 0.000 0.469 242 T N -1.552 113.106 114.554 0.174 0.000 2.893 242 T HA 0.617 4.967 4.350 -0.000 0.000 0.293 242 T C -0.337 174.421 174.700 0.097 0.000 1.027 242 T CA -0.787 61.403 62.100 0.150 0.000 0.988 242 T CB 0.637 69.593 68.868 0.147 0.000 1.043 242 T HN 0.372 nan 8.240 nan 0.000 0.461 243 I N 2.671 123.292 120.570 0.085 0.000 2.404 243 I HA 0.582 4.752 4.170 -0.000 0.000 0.293 243 I C 1.331 177.484 176.117 0.062 0.000 0.992 243 I CA -0.196 61.146 61.300 0.070 0.000 1.149 243 I CB 1.122 39.166 38.000 0.073 0.000 1.315 243 I HN 1.194 nan 8.210 nan 0.000 0.446 244 G N 5.647 114.479 108.800 0.054 0.000 2.583 244 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.292 244 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.292 244 G C 0.282 175.208 174.900 0.044 0.000 1.203 244 G CA 0.366 45.495 45.100 0.047 0.000 0.987 244 G HN 0.647 nan 8.290 nan 0.000 0.554 245 D N 0.735 121.159 120.400 0.041 0.000 2.349 245 D HA 0.292 4.932 4.640 -0.000 0.000 0.214 245 D C 1.125 177.448 176.300 0.038 0.000 1.063 245 D CA 0.949 54.971 54.000 0.036 0.000 0.847 245 D CB 0.507 41.324 40.800 0.029 0.000 0.933 245 D HN 0.418 nan 8.370 nan 0.000 0.513 246 S N 0.621 116.347 115.700 0.044 0.000 2.562 246 S HA 0.141 4.611 4.470 -0.000 0.000 0.275 246 S C 1.085 175.716 174.600 0.052 0.000 1.281 246 S CA -0.494 57.731 58.200 0.042 0.000 1.045 246 S CB 1.041 64.266 63.200 0.041 0.000 0.962 246 S HN -0.182 nan 8.310 nan 0.000 0.503 247 K N 2.672 123.099 120.400 0.046 0.000 2.374 247 K HA 0.174 4.494 4.320 -0.000 0.000 0.196 247 K C 0.022 176.649 176.600 0.044 0.000 1.023 247 K CA 0.090 56.414 56.287 0.062 0.000 1.103 247 K CB -0.157 32.375 32.500 0.054 0.000 0.848 247 K HN 0.480 nan 8.250 nan 0.000 0.528 248 V N 4.314 124.238 119.914 0.017 0.000 2.557 248 V HA -0.020 4.100 4.120 -0.000 0.000 0.301 248 V C -2.208 173.859 176.094 -0.045 0.000 1.026 248 V CA -0.922 61.363 62.300 -0.025 0.000 1.137 248 V CB -0.103 31.711 31.823 -0.016 0.000 0.917 248 V HN 0.032 nan 8.190 nan 0.000 0.484 249 P HA 0.199 nan 4.420 nan 0.000 0.267 249 P C -0.812 176.442 177.300 -0.076 0.000 1.205 249 P CA 0.165 63.006 63.100 -0.432 0.000 0.765 249 P CB 0.609 31.697 31.700 -1.020 0.000 0.828 250 V N 4.805 124.774 119.914 0.091 0.000 2.540 250 V HA 0.459 4.579 4.120 -0.000 0.000 0.302 250 V C 0.266 176.421 176.094 0.101 0.000 1.035 250 V CA -0.735 61.626 62.300 0.100 0.000 0.873 250 V CB 2.036 33.927 31.823 0.113 0.000 0.992 250 V HN 0.366 nan 8.190 nan 0.000 0.428 251 V N 0.152 120.065 119.914 -0.001 0.000 2.815 251 V HA 0.692 4.812 4.120 -0.000 0.000 0.314 251 V C -0.596 175.527 176.094 0.048 0.000 1.064 251 V CA -0.696 61.570 62.300 -0.057 0.000 0.952 251 V CB 2.115 33.614 31.823 -0.541 0.000 1.020 251 V HN 0.759 nan 8.190 nan 0.000 0.439 252 D N 2.546 123.049 120.400 0.172 0.000 2.280 252 D HA 0.498 5.138 4.640 -0.000 0.000 0.243 252 D C 0.677 177.156 176.300 0.298 0.000 1.129 252 D CA 0.376 54.485 54.000 0.182 0.000 0.848 252 D CB 1.688 42.564 40.800 0.127 0.000 1.107 252 D HN 0.980 nan 8.370 nan 0.000 0.471 253 G N 3.602 112.552 108.800 0.250 0.000 3.774 253 G HA2 0.087 4.047 3.960 -0.000 0.000 0.287 253 G HA3 0.087 4.047 3.960 -0.000 0.000 0.287 253 G C 0.614 175.656 174.900 0.236 0.000 1.030 253 G CA -0.332 44.933 45.100 0.275 0.000 0.824 253 G HN 0.299 nan 8.290 nan 0.000 0.518 254 R N 0.054 120.656 120.500 0.171 0.000 2.500 254 R HA 0.524 4.864 4.340 -0.000 0.000 0.275 254 R C 1.351 177.676 176.300 0.042 0.000 1.051 254 R CA 0.573 56.741 56.100 0.114 0.000 1.088 254 R CB 0.891 31.213 30.300 0.037 0.000 1.063 254 R HN 0.284 nan 8.270 nan 0.000 0.511 255 G N 1.694 110.442 108.800 -0.087 0.000 2.602 255 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.306 255 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.306 255 G C -0.598 174.273 174.900 -0.048 0.000 1.301 255 G CA -0.105 44.922 45.100 -0.122 0.000 0.974 255 G HN 0.688 nan 8.290 nan 0.000 0.547 256 E N 1.000 121.167 120.200 -0.056 0.000 2.081 256 E HA 0.423 4.773 4.350 -0.000 0.000 0.270 256 E C 0.009 176.582 176.600 -0.046 0.000 1.180 256 E CA 0.514 56.881 56.400 -0.054 0.000 0.926 256 E CB 0.658 30.320 29.700 -0.062 0.000 1.035 256 E HN 0.494 nan 8.360 nan 0.000 0.418 257 S N 2.112 117.787 115.700 -0.040 0.000 2.548 257 S HA 0.109 4.579 4.470 -0.000 0.000 0.286 257 S C 0.773 175.295 174.600 -0.130 0.000 1.098 257 S CA -0.785 57.370 58.200 -0.075 0.000 0.930 257 S CB 1.191 64.414 63.200 0.039 0.000 1.070 257 S HN 0.602 nan 8.310 nan 0.000 0.480 258 E N 2.176 122.185 120.200 -0.319 0.000 2.358 258 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 258 E C 0.400 176.924 176.600 -0.126 0.000 1.010 258 E CA 0.960 57.200 56.400 -0.266 0.000 0.856 258 E CB -0.296 29.151 29.700 -0.422 0.000 0.795 258 E HN 0.643 nan 8.360 nan 0.000 0.504 259 F N 2.309 122.315 119.950 0.093 0.000 2.473 259 F HA 0.112 4.639 4.527 -0.000 0.000 0.294 259 F C 1.366 177.237 175.800 0.119 0.000 1.103 259 F CA 0.691 58.735 58.000 0.073 0.000 1.442 259 F CB -0.206 38.809 39.000 0.024 0.000 1.097 259 F HN -0.040 nan 8.300 nan 0.000 0.547 260 T N -1.726 112.941 114.554 0.189 0.000 2.916 260 T HA 0.797 5.147 4.350 -0.000 0.000 0.292 260 T C -0.902 173.618 174.700 -0.299 0.000 1.064 260 T CA -0.915 61.099 62.100 -0.142 0.000 1.011 260 T CB 2.847 71.416 68.868 -0.499 0.000 1.152 260 T HN -0.144 nan 8.240 nan 0.000 0.510 261 R N 0.190 120.339 120.500 -0.585 0.000 2.533 261 R HA 0.502 4.842 4.340 -0.000 0.000 0.288 261 R C -2.094 173.810 176.300 -0.659 0.000 1.039 261 R CA -0.813 54.919 56.100 -0.614 0.000 0.909 261 R CB 1.023 30.805 30.300 -0.864 0.000 1.195 261 R HN 0.774 nan 8.270 nan 0.000 0.438 262 Y N 4.262 124.283 120.300 -0.464 0.000 2.491 262 Y HA 0.449 4.999 4.550 -0.000 0.000 0.334 262 Y C 0.308 176.052 175.900 -0.259 0.000 0.969 262 Y CA -0.540 57.247 58.100 -0.522 0.000 1.241 262 Y CB 0.798 38.718 38.460 -0.900 0.000 1.105 262 Y HN 0.370 nan 8.280 nan 0.000 0.503 263 I N 6.559 127.111 120.570 -0.030 0.000 2.301 263 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 263 I C -2.332 173.885 176.117 0.166 0.000 1.046 263 I CA -2.164 59.157 61.300 0.035 0.000 1.282 263 I CB 0.962 38.961 38.000 -0.001 0.000 1.409 263 I HN 0.292 nan 8.210 nan 0.000 0.484 264 P HA 0.072 nan 4.420 nan 0.000 0.264 264 P C -0.866 176.515 177.300 0.134 0.000 1.193 264 P CA 0.147 63.367 63.100 0.201 0.000 0.763 264 P CB 0.692 32.477 31.700 0.142 0.000 0.810 265 V N 6.495 126.485 119.914 0.125 0.000 2.760 265 V HA 0.330 4.450 4.120 -0.000 0.000 0.309 265 V C -2.343 173.773 176.094 0.038 0.000 1.077 265 V CA -2.368 59.974 62.300 0.070 0.000 0.910 265 V CB 2.312 34.178 31.823 0.072 0.000 1.008 265 V HN 0.387 nan 8.190 nan 0.000 0.424 266 P HA -0.032 nan 4.420 nan 0.000 0.256 266 P C -0.206 177.094 177.300 -0.000 0.000 1.173 266 P CA 0.311 63.416 63.100 0.008 0.000 0.768 266 P CB 0.031 31.731 31.700 -0.000 0.000 0.758 267 K N 4.022 124.418 120.400 -0.006 0.000 3.969 267 K HA -0.293 4.027 4.320 -0.000 0.000 0.431 267 K C 0.076 176.673 176.600 -0.004 0.000 0.915 267 K CA 0.637 56.918 56.287 -0.011 0.000 0.849 267 K CB -0.944 31.550 32.500 -0.011 0.000 1.903 267 K HN 0.554 nan 8.250 nan 0.000 0.283 268 N N -0.129 118.576 118.700 0.008 0.000 2.688 268 N HA -0.148 4.592 4.740 -0.000 0.000 0.258 268 N C -2.612 172.936 175.510 0.064 0.000 1.016 268 N CA 1.026 54.115 53.050 0.066 0.000 0.747 268 N CB -0.747 37.762 38.487 0.037 0.000 0.895 268 N HN 0.400 nan 8.380 nan 0.000 0.543 269 P HA -0.034 nan 4.420 nan 0.000 0.266 269 P C 0.394 177.779 177.300 0.141 0.000 1.195 269 P CA 0.456 63.598 63.100 0.071 0.000 0.768 269 P CB 1.090 32.824 31.700 0.055 0.000 0.838 270 H N 2.522 121.572 119.070 -0.032 0.000 3.466 270 H HA 0.337 4.893 4.556 -0.000 0.000 0.213 270 H C 1.010 176.318 175.328 -0.033 0.000 1.290 270 H CA 0.946 56.964 56.048 -0.050 0.000 1.639 270 H CB -0.427 29.221 29.762 -0.189 0.000 1.500 270 H HN 0.501 nan 8.280 nan 0.000 0.504 271 G N 0.744 109.376 108.800 -0.281 0.000 2.614 271 G HA2 0.349 4.309 3.960 -0.000 0.000 0.239 271 G HA3 0.349 4.309 3.960 -0.000 0.000 0.239 271 G C -1.008 173.902 174.900 0.016 0.000 1.240 271 G CA -0.096 44.896 45.100 -0.180 0.000 0.842 271 G HN 0.484 nan 8.290 nan 0.000 0.584 272 L N 1.318 122.591 121.223 0.083 0.000 2.491 272 L HA 0.425 4.765 4.340 -0.000 0.000 0.267 272 L C -1.250 175.733 176.870 0.188 0.000 0.971 272 L CA -0.847 54.056 54.840 0.106 0.000 0.857 272 L CB 1.459 43.529 42.059 0.019 0.000 1.226 272 L HN 0.617 nan 8.230 nan 0.000 0.408 273 N N 1.714 120.596 118.700 0.304 0.000 2.258 273 N HA 0.580 5.320 4.740 -0.000 0.000 0.299 273 N C -1.234 174.614 175.510 0.564 0.000 1.047 273 N CA -0.672 52.634 53.050 0.427 0.000 0.814 273 N CB 2.270 41.029 38.487 0.453 0.000 1.413 273 N HN 0.300 nan 8.380 nan 0.000 0.478 274 T N 0.499 115.353 114.554 0.500 0.000 2.845 274 T HA 0.391 4.741 4.350 -0.000 0.000 0.288 274 T C 0.380 175.090 174.700 0.016 0.000 0.980 274 T CA -0.739 61.578 62.100 0.361 0.000 1.071 274 T CB 0.503 69.581 68.868 0.350 0.000 0.941 274 T HN 0.588 nan 8.240 nan 0.000 0.487 275 S N 3.260 118.730 115.700 -0.383 0.000 2.603 275 S HA 0.245 4.715 4.470 -0.000 0.000 0.268 275 S C -1.933 172.349 174.600 -0.531 0.000 1.317 275 S CA -1.247 56.251 58.200 -1.171 0.000 1.012 275 S CB 0.795 63.497 63.200 -0.830 0.000 0.926 275 S HN 0.312 nan 8.310 nan 0.000 0.539 276 P HA -0.117 nan 4.420 nan 0.000 0.216 276 P C 0.762 177.749 177.300 -0.520 0.000 1.150 276 P CA 1.520 64.431 63.100 -0.315 0.000 0.837 276 P CB -0.223 31.368 31.700 -0.182 0.000 0.786 277 D N -1.625 118.517 120.400 -0.430 0.000 2.264 277 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 277 D C 1.404 177.390 176.300 -0.523 0.000 0.966 277 D CA 1.179 54.933 54.000 -0.411 0.000 0.864 277 D CB -1.184 39.439 40.800 -0.295 0.000 0.933 277 D HN 0.213 nan 8.370 nan 0.000 0.499 278 G N 0.548 109.019 108.800 -0.548 0.000 2.132 278 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.234 278 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.234 278 G C 0.737 175.448 174.900 -0.315 0.000 0.989 278 G CA 0.496 45.368 45.100 -0.381 0.000 0.676 278 G HN 0.630 nan 8.290 nan 0.000 0.522 279 K N -1.349 118.767 120.400 -0.472 0.000 2.402 279 K HA 0.456 4.776 4.320 -0.000 0.000 0.204 279 K C -0.291 175.894 176.600 -0.692 0.000 1.056 279 K CA -0.278 55.644 56.287 -0.609 0.000 1.069 279 K CB 0.837 32.884 32.500 -0.755 0.000 0.888 279 K HN 0.284 nan 8.250 nan 0.000 0.546 280 Y N 0.344 120.527 120.300 -0.195 0.000 2.406 280 Y HA 0.446 4.996 4.550 -0.000 0.000 0.340 280 Y C -0.937 174.947 175.900 -0.028 0.000 0.975 280 Y CA -1.820 56.222 58.100 -0.096 0.000 1.056 280 Y CB 1.240 39.703 38.460 0.004 0.000 1.210 280 Y HN -0.159 nan 8.280 nan 0.000 0.448 281 F N 3.949 124.051 119.950 0.253 0.000 2.388 281 F HA 0.535 5.062 4.527 -0.000 0.000 0.358 281 F C -0.163 175.765 175.800 0.212 0.000 1.122 281 F CA -1.517 56.601 58.000 0.197 0.000 1.056 281 F CB 0.925 39.999 39.000 0.122 0.000 1.155 281 F HN 0.274 nan 8.300 nan 0.000 0.461 282 I N 3.917 124.763 120.570 0.459 0.000 2.355 282 I HA 0.497 4.667 4.170 -0.000 0.000 0.288 282 I C -0.067 176.194 176.117 0.240 0.000 0.999 282 I CA -0.729 60.774 61.300 0.339 0.000 1.163 282 I CB 1.271 39.520 38.000 0.414 0.000 1.316 282 I HN 0.603 nan 8.210 nan 0.000 0.454 283 A N 6.794 129.709 122.820 0.157 0.000 2.310 283 A HA 0.490 4.810 4.320 -0.000 0.000 0.299 283 A C -0.315 177.312 177.584 0.071 0.000 1.147 283 A CA -0.665 51.431 52.037 0.099 0.000 0.818 283 A CB 0.442 19.486 19.000 0.073 0.000 1.096 283 A HN 0.746 nan 8.150 nan 0.000 0.495 284 N N 1.591 120.320 118.700 0.049 0.000 2.426 284 N HA 0.224 4.964 4.740 -0.000 0.000 0.275 284 N C 1.204 176.719 175.510 0.008 0.000 1.019 284 N CA 0.375 53.437 53.050 0.021 0.000 0.941 284 N CB 1.837 40.318 38.487 -0.009 0.000 1.123 284 N HN 0.795 nan 8.380 nan 0.000 0.486 285 G N 1.776 110.567 108.800 -0.014 0.000 2.422 285 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 285 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 285 G C 1.104 175.991 174.900 -0.022 0.000 1.146 285 G CA 1.137 46.226 45.100 -0.019 0.000 0.769 285 G HN 0.833 nan 8.290 nan 0.000 0.547 286 K N -1.530 118.849 120.400 -0.034 0.000 10.248 286 K HA -0.333 3.987 4.320 -0.000 0.000 0.479 286 K C 1.980 178.553 176.600 -0.045 0.000 0.461 286 K CA 2.133 58.384 56.287 -0.061 0.000 1.712 286 K CB -1.538 30.899 32.500 -0.104 0.000 0.800 286 K HN 0.205 nan 8.250 nan 0.000 1.182 287 L N 0.740 121.936 121.223 -0.044 0.000 2.201 287 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 287 L C 1.259 178.119 176.870 -0.018 0.000 1.105 287 L CA 0.955 55.777 54.840 -0.030 0.000 0.775 287 L CB -0.104 41.938 42.059 -0.029 0.000 0.913 287 L HN 0.331 nan 8.230 nan 0.000 0.440 288 S N 0.493 116.182 115.700 -0.019 0.000 2.480 288 S HA 0.298 4.768 4.470 -0.000 0.000 0.286 288 S C -1.901 172.683 174.600 -0.026 0.000 1.180 288 S CA -1.591 56.598 58.200 -0.018 0.000 1.075 288 S CB 1.241 64.431 63.200 -0.018 0.000 0.996 288 S HN -0.059 nan 8.310 nan 0.000 0.487 289 P HA 0.116 nan 4.420 nan 0.000 0.269 289 P C 0.204 177.464 177.300 -0.067 0.000 1.461 289 P CA 0.055 63.135 63.100 -0.033 0.000 0.809 289 P CB -0.751 30.936 31.700 -0.021 0.000 1.503 290 T N -3.833 110.674 114.554 -0.079 0.000 2.762 290 T HA 0.637 4.987 4.350 -0.000 0.000 0.272 290 T C -0.525 174.090 174.700 -0.140 0.000 0.982 290 T CA -0.913 61.108 62.100 -0.132 0.000 1.013 290 T CB 1.660 70.463 68.868 -0.108 0.000 1.309 290 T HN -0.179 nan 8.240 nan 0.000 0.572 291 V N 0.413 120.210 119.914 -0.194 0.000 2.888 291 V HA 0.619 4.739 4.120 -0.000 0.000 0.309 291 V C -0.904 175.110 176.094 -0.133 0.000 1.114 291 V CA -0.737 61.477 62.300 -0.142 0.000 0.940 291 V CB 2.634 34.335 31.823 -0.204 0.000 1.021 291 V HN 1.105 nan 8.190 nan 0.000 0.426 292 S N 3.223 118.895 115.700 -0.048 0.000 2.456 292 S HA 0.546 5.016 4.470 -0.000 0.000 0.316 292 S C -0.508 174.094 174.600 0.002 0.000 1.089 292 S CA -0.445 57.723 58.200 -0.054 0.000 1.101 292 S CB 1.496 64.685 63.200 -0.017 0.000 0.995 292 S HN 0.480 nan 8.310 nan 0.000 0.468 293 V N 5.644 125.523 119.914 -0.060 0.000 2.334 293 V HA 0.358 4.478 4.120 -0.000 0.000 0.267 293 V C -0.042 176.063 176.094 0.018 0.000 1.040 293 V CA -0.402 61.890 62.300 -0.012 0.000 0.866 293 V CB 0.101 31.838 31.823 -0.144 0.000 1.019 293 V HN 0.762 nan 8.190 nan 0.000 0.468 294 I N 3.888 124.547 120.570 0.148 0.000 2.396 294 I HA 0.551 4.721 4.170 -0.000 0.000 0.292 294 I C 0.751 177.011 176.117 0.238 0.000 0.999 294 I CA -0.305 61.097 61.300 0.171 0.000 1.310 294 I CB 1.540 39.672 38.000 0.220 0.000 1.404 294 I HN 0.619 nan 8.210 nan 0.000 0.496 295 A N 6.917 129.842 122.820 0.176 0.000 2.279 295 A HA 0.443 4.763 4.320 -0.000 0.000 0.306 295 A C 0.930 178.527 177.584 0.020 0.000 1.300 295 A CA -0.393 51.734 52.037 0.151 0.000 0.925 295 A CB -0.045 19.037 19.000 0.136 0.000 1.152 295 A HN 0.842 nan 8.150 nan 0.000 0.544 296 I N 1.341 121.855 120.570 -0.093 0.000 2.614 296 I HA -0.166 4.004 4.170 -0.000 0.000 0.258 296 I C 1.938 178.012 176.117 -0.072 0.000 1.189 296 I CA 1.069 62.277 61.300 -0.153 0.000 1.462 296 I CB -0.045 37.759 38.000 -0.327 0.000 1.092 296 I HN 0.748 nan 8.210 nan 0.000 0.442 297 D N 1.741 122.100 120.400 -0.068 0.000 2.178 297 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 297 D C 1.782 178.086 176.300 0.008 0.000 0.974 297 D CA 1.134 55.118 54.000 -0.028 0.000 0.841 297 D CB 0.211 40.983 40.800 -0.048 0.000 0.953 297 D HN 0.339 nan 8.370 nan 0.000 0.478 298 K N -0.087 120.316 120.400 0.005 0.000 2.444 298 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 298 K C 2.063 178.667 176.600 0.007 0.000 1.024 298 K CA -0.227 56.069 56.287 0.015 0.000 1.077 298 K CB 0.555 33.067 32.500 0.019 0.000 0.833 298 K HN 0.171 nan 8.250 nan 0.000 0.517 299 L N 1.076 122.283 121.223 -0.026 0.000 2.093 299 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 299 L C 1.653 178.594 176.870 0.117 0.000 1.085 299 L CA 1.083 55.875 54.840 -0.079 0.000 0.755 299 L CB -0.329 41.441 42.059 -0.481 0.000 0.904 299 L HN 0.209 nan 8.230 nan 0.000 0.435 300 D N 0.187 120.692 120.400 0.175 0.000 2.104 300 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 300 D C 1.724 178.139 176.300 0.190 0.000 0.994 300 D CA 1.353 55.505 54.000 0.254 0.000 0.830 300 D CB -0.155 40.757 40.800 0.187 0.000 0.959 300 D HN 0.332 nan 8.370 nan 0.000 0.452 301 D N 0.384 120.849 120.400 0.108 0.000 2.144 301 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 301 D C 2.232 178.557 176.300 0.041 0.000 0.978 301 D CA 0.202 54.242 54.000 0.066 0.000 0.833 301 D CB -0.249 40.574 40.800 0.037 0.000 0.961 301 D HN 0.125 nan 8.370 nan 0.000 0.470 302 L N -0.068 121.162 121.223 0.012 0.000 2.079 302 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 302 L C 1.641 178.397 176.870 -0.191 0.000 1.081 302 L CA 1.455 56.229 54.840 -0.111 0.000 0.752 302 L CB -0.584 41.359 42.059 -0.192 0.000 0.896 302 L HN -0.109 nan 8.230 nan 0.000 0.433 303 F N -1.007 118.925 119.950 -0.029 0.000 2.811 303 F HA 0.065 4.592 4.527 -0.000 0.000 0.301 303 F C 1.936 177.730 175.800 -0.009 0.000 1.151 303 F CA 0.300 58.292 58.000 -0.013 0.000 1.412 303 F CB 0.046 39.075 39.000 0.048 0.000 1.113 303 F HN 0.158 nan 8.300 nan 0.000 0.579 304 E N -0.449 119.814 120.200 0.104 0.000 2.526 304 E HA 0.047 4.397 4.350 -0.000 0.000 0.208 304 E C -0.061 176.545 176.600 0.010 0.000 0.997 304 E CA 0.195 56.632 56.400 0.062 0.000 0.961 304 E CB 0.049 29.789 29.700 0.067 0.000 1.030 304 E HN 0.053 nan 8.360 nan 0.000 0.483 305 D N 0.129 120.514 120.400 -0.026 0.000 2.945 305 D HA -0.221 4.419 4.640 -0.000 0.000 0.225 305 D C 0.520 176.803 176.300 -0.027 0.000 1.158 305 D CA 0.780 54.753 54.000 -0.046 0.000 0.805 305 D CB -0.722 40.052 40.800 -0.044 0.000 1.098 305 D HN 0.376 nan 8.370 nan 0.000 0.426 306 K N -0.294 120.097 120.400 -0.014 0.000 2.314 306 K HA 0.121 4.441 4.320 -0.000 0.000 0.198 306 K C 1.502 178.096 176.600 -0.010 0.000 1.045 306 K CA 0.663 56.946 56.287 -0.005 0.000 0.988 306 K CB 0.577 33.081 32.500 0.008 0.000 0.783 306 K HN 0.495 nan 8.250 nan 0.000 0.484 307 I N -2.570 117.989 120.570 -0.019 0.000 3.239 307 I HA 0.448 4.618 4.170 -0.000 0.000 0.314 307 I C -0.807 175.290 176.117 -0.035 0.000 1.126 307 I CA -1.315 59.974 61.300 -0.018 0.000 0.973 307 I CB 1.841 39.835 38.000 -0.010 0.000 1.252 307 I HN -0.335 nan 8.210 nan 0.000 0.463 308 E N 0.809 120.994 120.200 -0.025 0.000 2.319 308 E HA 0.389 4.739 4.350 -0.000 0.000 0.268 308 E C 0.527 177.102 176.600 -0.041 0.000 1.050 308 E CA -0.348 56.033 56.400 -0.031 0.000 0.878 308 E CB 1.383 31.075 29.700 -0.013 0.000 1.066 308 E HN 0.678 nan 8.360 nan 0.000 0.406 309 L N 2.260 123.450 121.223 -0.055 0.000 1.978 309 L HA -0.255 4.085 4.340 -0.000 0.000 0.218 309 L C 2.023 178.876 176.870 -0.028 0.000 1.075 309 L CA 1.371 56.172 54.840 -0.065 0.000 0.767 309 L CB -0.317 41.707 42.059 -0.059 0.000 0.890 309 L HN 0.472 nan 8.230 nan 0.000 0.434 310 R N 0.076 120.576 120.500 0.001 0.000 2.357 310 R HA -0.095 4.245 4.340 -0.000 0.000 0.202 310 R C 1.241 177.565 176.300 0.040 0.000 1.047 310 R CA 0.581 56.697 56.100 0.027 0.000 1.034 310 R CB -0.656 29.672 30.300 0.046 0.000 0.875 310 R HN 0.448 nan 8.270 nan 0.000 0.473 311 D N -0.211 120.204 120.400 0.025 0.000 2.312 311 D HA -0.077 4.563 4.640 -0.000 0.000 0.211 311 D C 1.683 178.006 176.300 0.038 0.000 0.964 311 D CA 1.301 55.323 54.000 0.038 0.000 0.877 311 D CB 0.103 40.916 40.800 0.021 0.000 0.924 311 D HN 0.317 nan 8.370 nan 0.000 0.515 312 T N -1.571 112.994 114.554 0.020 0.000 3.055 312 T HA -0.010 4.340 4.350 -0.000 0.000 0.265 312 T C 1.095 175.814 174.700 0.032 0.000 1.111 312 T CA -0.084 62.031 62.100 0.024 0.000 1.118 312 T CB 0.101 68.973 68.868 0.007 0.000 0.909 312 T HN -0.098 nan 8.240 nan 0.000 0.501 313 I N 2.696 123.276 120.570 0.015 0.000 2.517 313 I HA 0.127 4.297 4.170 -0.000 0.000 0.285 313 I C 1.145 177.209 176.117 -0.088 0.000 1.106 313 I CA -0.308 60.960 61.300 -0.052 0.000 1.402 313 I CB 0.961 38.918 38.000 -0.071 0.000 1.399 313 I HN 0.065 nan 8.210 nan 0.000 0.535 314 V N 5.780 125.607 119.914 -0.145 0.000 3.565 314 V HA 0.368 4.488 4.120 -0.000 0.000 0.260 314 V C 0.654 176.529 176.094 -0.365 0.000 1.231 314 V CA 0.585 62.817 62.300 -0.113 0.000 1.100 314 V CB 0.388 32.216 31.823 0.009 0.000 0.807 314 V HN 0.888 nan 8.190 nan 0.000 0.454 315 A N -0.170 122.254 122.820 -0.659 0.000 2.599 315 A HA 0.759 5.079 4.320 -0.000 0.000 0.294 315 A C -0.668 176.483 177.584 -0.722 0.000 1.055 315 A CA -0.348 51.200 52.037 -0.816 0.000 0.683 315 A CB 1.513 20.300 19.000 -0.356 0.000 1.278 315 A HN 0.102 nan 8.150 nan 0.000 0.412 316 E N 1.183 121.021 120.200 -0.604 0.000 3.844 316 E HA 0.225 4.575 4.350 -0.000 0.000 0.260 316 E C -2.774 173.660 176.600 -0.277 0.000 1.163 316 E CA -1.120 55.073 56.400 -0.345 0.000 1.261 316 E CB 0.955 30.526 29.700 -0.215 0.000 1.261 316 E HN 0.584 nan 8.360 nan 0.000 0.399 317 P HA 0.033 nan 4.420 nan 0.000 0.271 317 P C -0.424 176.622 177.300 -0.423 0.000 1.218 317 P CA -0.048 62.668 63.100 -0.640 0.000 0.780 317 P CB 1.064 32.012 31.700 -1.254 0.000 0.901 318 E N 1.880 121.951 120.200 -0.215 0.000 2.259 318 E HA 0.198 4.548 4.350 -0.000 0.000 0.281 318 E C 0.159 176.716 176.600 -0.071 0.000 1.027 318 E CA -0.383 55.954 56.400 -0.104 0.000 0.838 318 E CB 0.407 30.097 29.700 -0.017 0.000 1.066 318 E HN 0.412 nan 8.360 nan 0.000 0.401 319 L N 3.072 124.220 121.223 -0.125 0.000 2.624 319 L HA 0.493 4.833 4.340 -0.000 0.000 0.222 319 L C 0.963 177.802 176.870 -0.051 0.000 1.046 319 L CA 0.311 55.084 54.840 -0.112 0.000 0.872 319 L CB 0.727 42.647 42.059 -0.231 0.000 1.190 319 L HN 0.721 nan 8.230 nan 0.000 0.487 320 G N -0.232 108.543 108.800 -0.042 0.000 2.327 320 G HA2 0.234 4.194 3.960 -0.000 0.000 0.291 320 G HA3 0.234 4.194 3.960 -0.000 0.000 0.291 320 G C -1.812 173.087 174.900 -0.002 0.000 1.290 320 G CA -0.948 44.144 45.100 -0.013 0.000 0.857 320 G HN -0.124 nan 8.290 nan 0.000 0.520 321 L N 1.445 122.677 121.223 0.015 0.000 2.313 321 L HA 0.484 4.824 4.340 -0.000 0.000 0.282 321 L C 1.333 178.238 176.870 0.058 0.000 1.092 321 L CA 0.808 55.666 54.840 0.030 0.000 0.831 321 L CB 0.817 42.896 42.059 0.034 0.000 1.159 321 L HN 1.852 nan 8.230 nan 0.000 0.442 322 G N 3.344 112.177 108.800 0.054 0.000 2.303 322 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.260 322 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.260 322 G C -2.405 172.537 174.900 0.070 0.000 1.106 322 G CA -0.897 44.253 45.100 0.082 0.000 0.900 322 G HN 0.444 nan 8.290 nan 0.000 0.495 323 P HA 0.332 nan 4.420 nan 0.000 0.276 323 P C 0.918 178.209 177.300 -0.014 0.000 1.253 323 P CA -0.230 62.883 63.100 0.022 0.000 0.766 323 P CB 1.246 32.942 31.700 -0.007 0.000 0.845 324 L N 2.616 123.825 121.223 -0.024 0.000 2.526 324 L HA 0.257 4.597 4.340 -0.000 0.000 0.210 324 L C 1.007 177.598 176.870 -0.465 0.000 1.048 324 L CA 0.479 55.215 54.840 -0.174 0.000 0.852 324 L CB -0.106 41.856 42.059 -0.161 0.000 1.128 324 L HN 0.469 nan 8.230 nan 0.000 0.482 325 H N -0.875 118.259 119.070 0.106 0.000 2.961 325 H HA 0.511 5.067 4.556 -0.000 0.000 0.371 325 H C -1.151 174.236 175.328 0.097 0.000 1.190 325 H CA -0.425 55.669 56.048 0.076 0.000 1.138 325 H CB 2.344 32.120 29.762 0.023 0.000 1.816 325 H HN -0.201 nan 8.280 nan 0.000 0.551 326 T N 1.048 115.724 114.554 0.204 0.000 2.893 326 T HA 0.400 4.749 4.350 -0.000 0.000 0.293 326 T C -0.113 174.502 174.700 -0.142 0.000 1.027 326 T CA -0.578 61.547 62.100 0.042 0.000 0.988 326 T CB 2.650 71.535 68.868 0.028 0.000 1.043 326 T HN 0.583 nan 8.240 nan 0.000 0.461 327 T N 1.271 115.644 114.554 -0.301 0.000 2.887 327 T HA 0.830 5.180 4.350 -0.000 0.000 0.292 327 T C -1.778 172.572 174.700 -0.583 0.000 1.087 327 T CA -0.600 61.297 62.100 -0.339 0.000 1.009 327 T CB 0.673 69.494 68.868 -0.078 0.000 1.203 327 T HN 0.348 nan 8.240 nan 0.000 0.518 328 F N 1.227 121.224 119.950 0.077 0.000 2.577 328 F HA 0.403 4.930 4.527 -0.000 0.000 0.318 328 F C 0.852 176.681 175.800 0.049 0.000 1.065 328 F CA -1.200 56.855 58.000 0.091 0.000 0.929 328 F CB 1.438 40.464 39.000 0.044 0.000 1.237 328 F HN 0.578 nan 8.300 nan 0.000 0.468 329 D N -0.985 119.591 120.400 0.293 0.000 2.349 329 D HA 0.221 4.861 4.640 -0.000 0.000 0.214 329 D C 1.638 178.005 176.300 0.111 0.000 1.063 329 D CA 0.522 54.611 54.000 0.148 0.000 0.847 329 D CB 0.240 41.156 40.800 0.193 0.000 0.933 329 D HN 0.868 nan 8.370 nan 0.000 0.513 330 G N 0.963 109.839 108.800 0.128 0.000 2.184 330 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.264 330 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.264 330 G C 0.959 175.877 174.900 0.031 0.000 0.975 330 G CA 0.220 45.349 45.100 0.048 0.000 0.642 330 G HN 0.455 nan 8.290 nan 0.000 0.536 331 R N -0.280 120.254 120.500 0.057 0.000 2.546 331 R HA 0.440 4.780 4.340 -0.000 0.000 0.320 331 R C 1.771 178.090 176.300 0.031 0.000 1.021 331 R CA 0.497 56.619 56.100 0.036 0.000 1.088 331 R CB 0.486 30.811 30.300 0.042 0.000 1.278 331 R HN 1.185 nan 8.270 nan 0.000 0.557 332 G N 0.952 109.775 108.800 0.038 0.000 2.175 332 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 332 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 332 G C -0.091 174.797 174.900 -0.020 0.000 0.982 332 G CA -0.331 44.785 45.100 0.026 0.000 0.641 332 G HN 0.299 nan 8.290 nan 0.000 0.527 333 N N 0.767 119.448 118.700 -0.032 0.000 2.492 333 N HA 0.720 5.460 4.740 -0.000 0.000 0.289 333 N C 0.108 175.445 175.510 -0.289 0.000 1.133 333 N CA 0.505 53.429 53.050 -0.210 0.000 0.961 333 N CB 1.812 40.166 38.487 -0.221 0.000 1.186 333 N HN 0.726 nan 8.380 nan 0.000 0.493 334 A N 1.003 123.350 122.820 -0.788 0.000 2.380 334 A HA 0.728 5.048 4.320 -0.000 0.000 0.315 334 A C -1.690 175.355 177.584 -0.898 0.000 1.101 334 A CA -0.508 50.982 52.037 -0.911 0.000 0.771 334 A CB 0.829 18.865 19.000 -1.606 0.000 1.287 334 A HN 0.607 nan 8.150 nan 0.000 0.436 335 Y N 0.194 120.254 120.300 -0.400 0.000 2.346 335 Y HA 0.558 5.108 4.550 -0.000 0.000 0.332 335 Y C 0.226 176.137 175.900 0.018 0.000 0.985 335 Y CA -0.356 57.679 58.100 -0.108 0.000 1.112 335 Y CB 2.551 40.966 38.460 -0.076 0.000 1.170 335 Y HN 0.581 nan 8.280 nan 0.000 0.447 336 T N 1.862 116.598 114.554 0.304 0.000 2.863 336 T HA 0.432 4.782 4.350 -0.000 0.000 0.285 336 T C -0.221 174.606 174.700 0.211 0.000 1.009 336 T CA -0.988 61.277 62.100 0.274 0.000 0.989 336 T CB 1.199 70.272 68.868 0.341 0.000 1.004 336 T HN 0.594 nan 8.240 nan 0.000 0.455 337 T N 1.332 115.997 114.554 0.186 0.000 2.889 337 T HA 0.621 4.971 4.350 -0.000 0.000 0.291 337 T C -0.191 174.591 174.700 0.136 0.000 0.995 337 T CA -0.835 61.364 62.100 0.165 0.000 1.092 337 T CB 0.186 69.171 68.868 0.194 0.000 0.954 337 T HN 0.406 nan 8.240 nan 0.000 0.506 338 L N 4.096 125.389 121.223 0.116 0.000 2.337 338 L HA 0.372 4.712 4.340 -0.000 0.000 0.269 338 L C 0.826 177.759 176.870 0.106 0.000 1.018 338 L CA -0.879 54.020 54.840 0.099 0.000 0.876 338 L CB 0.677 42.774 42.059 0.063 0.000 1.236 338 L HN 0.696 nan 8.230 nan 0.000 0.436 339 F N 3.057 123.011 119.950 0.007 0.000 2.043 339 F HA -0.259 4.268 4.527 -0.000 0.000 0.297 339 F C 1.965 177.779 175.800 0.024 0.000 1.121 339 F CA 2.042 60.042 58.000 -0.000 0.000 1.199 339 F CB 0.152 39.125 39.000 -0.045 0.000 0.968 339 F HN 0.386 nan 8.300 nan 0.000 0.478 340 I N -0.136 120.505 120.570 0.119 0.000 2.252 340 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 340 I C 1.574 177.686 176.117 -0.008 0.000 1.102 340 I CA 1.480 62.807 61.300 0.046 0.000 1.385 340 I CB -0.581 37.488 38.000 0.114 0.000 1.064 340 I HN 0.085 nan 8.210 nan 0.000 0.414 341 D N 0.448 120.854 120.400 0.011 0.000 2.363 341 D HA -0.048 4.592 4.640 -0.000 0.000 0.220 341 D C 0.938 177.236 176.300 -0.003 0.000 0.994 341 D CA 0.463 54.468 54.000 0.009 0.000 0.890 341 D CB 0.037 40.848 40.800 0.019 0.000 0.906 341 D HN 0.122 nan 8.370 nan 0.000 0.530 342 S N 0.506 116.184 115.700 -0.036 0.000 3.608 342 S HA -0.225 4.245 4.470 -0.000 0.000 0.382 342 S C -0.271 174.321 174.600 -0.014 0.000 0.945 342 S CA 0.783 58.955 58.200 -0.047 0.000 1.256 342 S CB -1.355 61.836 63.200 -0.014 0.000 0.913 342 S HN 0.555 nan 8.310 nan 0.000 0.518 343 Q N -0.797 119.010 119.800 0.013 0.000 2.630 343 Q HA 0.762 5.102 4.340 -0.000 0.000 0.295 343 Q C -1.366 174.677 176.000 0.070 0.000 0.944 343 Q CA -1.290 54.532 55.803 0.033 0.000 0.766 343 Q CB 1.535 30.292 28.738 0.032 0.000 1.471 343 Q HN 0.173 nan 8.270 nan 0.000 0.416 344 V N 0.747 120.717 119.914 0.092 0.000 2.459 344 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 344 V C -0.791 175.393 176.094 0.150 0.000 1.029 344 V CA -0.664 61.720 62.300 0.140 0.000 0.874 344 V CB 1.564 33.487 31.823 0.167 0.000 0.985 344 V HN 0.921 nan 8.190 nan 0.000 0.438 345 C N 6.545 125.951 119.300 0.176 0.000 2.298 345 C HA 0.562 5.022 4.460 -0.000 0.000 0.323 345 C C -0.020 175.094 174.990 0.207 0.000 1.284 345 C CA -0.987 58.137 59.018 0.177 0.000 1.577 345 C CB 0.174 28.009 27.740 0.158 0.000 2.249 345 C HN 0.982 nan 8.230 nan 0.000 0.497 346 K N 7.070 127.502 120.400 0.053 0.000 2.248 346 K HA 0.549 4.869 4.320 -0.000 0.000 0.281 346 K C -0.692 175.892 176.600 -0.026 0.000 1.054 346 K CA -0.338 55.778 56.287 -0.285 0.000 0.903 346 K CB 0.612 32.865 32.500 -0.412 0.000 1.077 346 K HN 0.889 nan 8.250 nan 0.000 0.474 347 W N 2.921 124.072 121.300 -0.248 0.000 3.033 347 W HA 0.355 5.015 4.660 -0.000 0.000 0.336 347 W C -1.224 175.251 176.519 -0.073 0.000 1.173 347 W CA -1.103 56.193 57.345 -0.081 0.000 1.185 347 W CB 0.190 29.673 29.460 0.039 0.000 1.425 347 W HN 0.418 nan 8.180 nan 0.000 0.536 348 N N 1.906 120.709 118.700 0.172 0.000 2.419 348 N HA 0.203 4.943 4.740 -0.000 0.000 0.264 348 N C 0.936 176.532 175.510 0.142 0.000 1.031 348 N CA -0.181 52.900 53.050 0.051 0.000 0.951 348 N CB 1.173 39.718 38.487 0.096 0.000 1.101 348 N HN 0.499 nan 8.380 nan 0.000 0.488 349 I N 2.894 123.437 120.570 -0.046 0.000 2.179 349 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 349 I C 2.336 178.496 176.117 0.071 0.000 1.088 349 I CA 1.106 62.413 61.300 0.011 0.000 1.357 349 I CB -0.328 37.609 38.000 -0.106 0.000 1.051 349 I HN 0.585 nan 8.210 nan 0.000 0.409 350 A N 0.798 123.662 122.820 0.073 0.000 1.892 350 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 350 A C 1.964 179.619 177.584 0.119 0.000 1.188 350 A CA 2.316 54.408 52.037 0.092 0.000 0.631 350 A CB -0.710 18.342 19.000 0.086 0.000 0.822 350 A HN 0.372 nan 8.150 nan 0.000 0.447 351 D N -0.176 120.315 120.400 0.152 0.000 2.178 351 D HA -0.022 4.618 4.640 -0.000 0.000 0.201 351 D C 2.133 178.579 176.300 0.242 0.000 0.980 351 D CA 1.370 55.495 54.000 0.207 0.000 0.842 351 D CB -0.334 40.613 40.800 0.245 0.000 0.948 351 D HN 0.458 nan 8.370 nan 0.000 0.472 352 A N 0.424 123.352 122.820 0.179 0.000 1.929 352 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 352 A C 2.318 179.925 177.584 0.039 0.000 1.176 352 A CA 0.546 52.572 52.037 -0.018 0.000 0.628 352 A CB -0.492 18.484 19.000 -0.040 0.000 0.816 352 A HN 0.175 nan 8.150 nan 0.000 0.444 353 I N -0.352 120.260 120.570 0.069 0.000 2.179 353 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 353 I C 2.434 178.649 176.117 0.164 0.000 1.088 353 I CA 1.620 62.972 61.300 0.087 0.000 1.357 353 I CB -0.310 37.732 38.000 0.070 0.000 1.051 353 I HN 0.282 nan 8.210 nan 0.000 0.409 354 K N -0.337 120.156 120.400 0.155 0.000 2.002 354 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 354 K C 2.311 179.013 176.600 0.170 0.000 1.048 354 K CA 1.304 57.678 56.287 0.145 0.000 0.930 354 K CB -0.464 32.114 32.500 0.130 0.000 0.714 354 K HN 0.337 nan 8.250 nan 0.000 0.438 355 H N 0.043 119.190 119.070 0.129 0.000 2.387 355 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 355 H C 1.879 177.274 175.328 0.113 0.000 1.099 355 H CA 1.647 57.781 56.048 0.142 0.000 1.315 355 H CB -0.085 29.825 29.762 0.246 0.000 1.380 355 H HN 0.255 nan 8.280 nan 0.000 0.513 356 Y N 1.662 122.062 120.300 0.167 0.000 2.293 356 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 356 Y C 2.004 177.928 175.900 0.041 0.000 1.137 356 Y CA 1.416 59.568 58.100 0.087 0.000 1.202 356 Y CB -0.185 38.284 38.460 0.014 0.000 0.990 356 Y HN 0.190 nan 8.280 nan 0.000 0.537 357 N N -0.569 118.161 118.700 0.051 0.000 2.494 357 N HA 0.058 4.798 4.740 -0.000 0.000 0.182 357 N C 1.400 176.860 175.510 -0.082 0.000 1.076 357 N CA 1.259 54.286 53.050 -0.038 0.000 0.908 357 N CB 0.426 38.939 38.487 0.043 0.000 0.967 357 N HN 0.548 nan 8.380 nan 0.000 0.449 358 G N -0.316 108.428 108.800 -0.094 0.000 2.485 358 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.181 358 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.181 358 G C -0.060 174.767 174.900 -0.121 0.000 0.999 358 G CA -0.425 44.606 45.100 -0.114 0.000 0.721 358 G HN 0.164 nan 8.290 nan 0.000 0.486 359 D N -0.079 120.265 120.400 -0.093 0.000 2.346 359 D HA 0.401 5.041 4.640 -0.000 0.000 0.249 359 D C 1.384 177.579 176.300 -0.175 0.000 1.308 359 D CA 0.118 54.073 54.000 -0.075 0.000 0.987 359 D CB 0.435 41.240 40.800 0.008 0.000 1.114 359 D HN 0.313 nan 8.370 nan 0.000 0.529 360 R N -0.610 119.841 120.500 -0.082 0.000 2.509 360 R HA 0.191 4.531 4.340 -0.000 0.000 0.297 360 R C -0.054 176.288 176.300 0.070 0.000 0.951 360 R CA -0.235 55.823 56.100 -0.070 0.000 1.103 360 R CB 0.594 30.873 30.300 -0.035 0.000 1.283 360 R HN 0.103 nan 8.270 nan 0.000 0.534 361 V N 2.503 122.484 119.914 0.113 0.000 2.843 361 V HA -0.142 3.977 4.120 -0.000 0.000 0.305 361 V C 0.426 176.657 176.094 0.229 0.000 1.120 361 V CA 0.491 62.885 62.300 0.156 0.000 1.254 361 V CB 0.111 32.032 31.823 0.163 0.000 0.901 361 V HN 0.322 nan 8.190 nan 0.000 0.503 362 N N 2.567 121.327 118.700 0.100 0.000 2.458 362 N HA 0.292 5.032 4.740 -0.000 0.000 0.270 362 N C 0.187 175.706 175.510 0.015 0.000 1.102 362 N CA -0.380 52.648 53.050 -0.036 0.000 0.967 362 N CB 0.702 39.149 38.487 -0.068 0.000 1.078 362 N HN 0.825 nan 8.380 nan 0.000 0.471 363 Y N 1.065 121.400 120.300 0.058 0.000 2.507 363 Y HA 0.420 4.970 4.550 -0.000 0.000 0.263 363 Y C 0.363 176.330 175.900 0.111 0.000 1.093 363 Y CA -0.490 57.663 58.100 0.088 0.000 1.285 363 Y CB 0.134 38.641 38.460 0.078 0.000 1.115 363 Y HN 0.284 nan 8.280 nan 0.000 0.533 364 I N 3.083 123.565 120.570 -0.147 0.000 2.452 364 I HA 0.130 4.300 4.170 -0.000 0.000 0.287 364 I C 0.744 176.860 176.117 -0.001 0.000 1.079 364 I CA -0.096 61.204 61.300 0.000 0.000 1.387 364 I CB 1.013 38.925 38.000 -0.148 0.000 1.404 364 I HN 0.244 nan 8.210 nan 0.000 0.522 365 R N 4.023 124.550 120.500 0.044 0.000 2.175 365 R HA 0.233 4.573 4.340 -0.000 0.000 0.202 365 R C 0.280 176.585 176.300 0.008 0.000 1.018 365 R CA 0.451 56.558 56.100 0.012 0.000 1.029 365 R CB 0.254 30.553 30.300 -0.003 0.000 0.959 365 R HN 0.670 nan 8.270 nan 0.000 0.480 366 Q N -0.105 119.707 119.800 0.019 0.000 2.527 366 Q HA 0.292 4.632 4.340 -0.000 0.000 0.280 366 Q C -1.727 174.302 176.000 0.047 0.000 0.977 366 Q CA -0.490 55.331 55.803 0.029 0.000 0.837 366 Q CB 2.047 30.808 28.738 0.039 0.000 1.454 366 Q HN -0.141 nan 8.270 nan 0.000 0.387 367 K N 2.828 123.254 120.400 0.044 0.000 2.545 367 K HA 0.478 4.798 4.320 -0.000 0.000 0.252 367 K C -1.381 175.249 176.600 0.049 0.000 0.948 367 K CA -0.508 55.810 56.287 0.051 0.000 0.827 367 K CB 1.764 34.284 32.500 0.033 0.000 1.128 367 K HN 0.522 nan 8.250 nan 0.000 0.429 368 L N 3.277 124.538 121.223 0.063 0.000 2.313 368 L HA 0.317 4.657 4.340 -0.000 0.000 0.283 368 L C -0.757 176.134 176.870 0.035 0.000 1.013 368 L CA -0.760 54.112 54.840 0.052 0.000 0.816 368 L CB 1.255 43.358 42.059 0.073 0.000 1.236 368 L HN 0.589 nan 8.230 nan 0.000 0.419 369 D N 4.438 124.846 120.400 0.013 0.000 2.363 369 D HA 0.095 4.735 4.640 -0.000 0.000 0.263 369 D C -0.065 176.209 176.300 -0.043 0.000 1.258 369 D CA 0.201 54.193 54.000 -0.013 0.000 0.907 369 D CB 1.508 42.295 40.800 -0.021 0.000 1.107 369 D HN 0.110 nan 8.370 nan 0.000 0.495 370 V N 3.107 122.992 119.914 -0.049 0.000 2.567 370 V HA 0.016 4.136 4.120 -0.000 0.000 0.289 370 V C 0.481 176.449 176.094 -0.211 0.000 1.049 370 V CA -0.662 61.593 62.300 -0.076 0.000 0.969 370 V CB 1.633 33.447 31.823 -0.015 0.000 0.995 370 V HN 0.332 nan 8.190 nan 0.000 0.471 371 Q N 4.738 124.342 119.800 -0.326 0.000 2.641 371 Q HA 0.345 4.685 4.340 -0.000 0.000 0.225 371 Q C -1.372 174.205 176.000 -0.705 0.000 1.309 371 Q CA 0.146 55.460 55.803 -0.815 0.000 0.935 371 Q CB -0.859 27.430 28.738 -0.749 0.000 1.557 371 Q HN 0.559 nan 8.270 nan 0.000 0.563 372 Y N -0.458 119.856 120.300 0.024 0.000 2.758 372 Y HA -0.200 4.350 4.550 -0.000 0.000 0.038 372 Y C -0.200 175.688 175.900 -0.021 0.000 1.989 372 Y CA -0.370 57.759 58.100 0.048 0.000 1.229 372 Y CB -2.239 36.308 38.460 0.146 0.000 1.896 372 Y HN 0.546 nan 8.280 nan 0.000 0.287 373 Q N -1.227 118.533 119.800 -0.066 0.000 2.391 373 Q HA -0.149 4.190 4.340 -0.000 0.000 0.351 373 Q C -2.595 173.279 176.000 -0.210 0.000 1.308 373 Q CA 1.031 56.539 55.803 -0.492 0.000 1.007 373 Q CB -0.603 27.585 28.738 -0.916 0.000 1.115 373 Q HN 0.404 nan 8.270 nan 0.000 0.302 374 P HA 0.292 nan 4.420 nan 0.000 0.275 374 P C 0.521 177.988 177.300 0.278 0.000 1.227 374 P CA 0.203 63.371 63.100 0.114 0.000 0.781 374 P CB 1.378 33.143 31.700 0.109 0.000 0.906 375 G N 1.523 110.470 108.800 0.246 0.000 2.930 375 G HA2 0.109 4.069 3.960 -0.000 0.000 0.209 375 G HA3 0.109 4.069 3.960 -0.000 0.000 0.209 375 G C -0.160 174.949 174.900 0.347 0.000 2.018 375 G CA 0.143 45.416 45.100 0.288 0.000 0.751 375 G HN 0.475 nan 8.290 nan 0.000 0.770 376 H N 0.538 119.741 119.070 0.221 0.000 2.679 376 H HA 0.260 4.816 4.556 -0.000 0.000 0.369 376 H C -0.600 174.782 175.328 0.091 0.000 1.178 376 H CA 0.462 56.527 56.048 0.028 0.000 1.419 376 H CB 1.300 30.965 29.762 -0.162 0.000 1.458 376 H HN 0.213 nan 8.280 nan 0.000 0.605 377 N N 0.580 119.427 118.700 0.245 0.000 2.249 377 N HA 0.164 4.904 4.740 -0.000 0.000 0.296 377 N C -1.745 173.884 175.510 0.198 0.000 1.051 377 N CA -0.500 52.667 53.050 0.194 0.000 0.815 377 N CB 1.286 39.891 38.487 0.198 0.000 1.487 377 N HN 0.618 nan 8.380 nan 0.000 0.475 378 H N 0.734 119.817 119.070 0.021 0.000 3.042 378 H HA 0.707 5.263 4.556 -0.000 0.000 0.345 378 H C -1.539 173.785 175.328 -0.007 0.000 1.052 378 H CA -0.594 55.457 56.048 0.005 0.000 1.311 378 H CB 1.139 30.860 29.762 -0.068 0.000 1.810 378 H HN 0.602 nan 8.280 nan 0.000 0.505 379 A N 3.111 125.689 122.820 -0.403 0.000 2.337 379 A HA 0.513 4.833 4.320 -0.000 0.000 0.329 379 A C -0.223 177.201 177.584 -0.268 0.000 1.146 379 A CA -0.361 51.524 52.037 -0.253 0.000 0.800 379 A CB 0.528 19.394 19.000 -0.223 0.000 1.220 379 A HN 0.886 nan 8.150 nan 0.000 0.472 380 S N 1.752 117.412 115.700 -0.065 0.000 2.673 380 S HA 0.236 4.706 4.470 -0.000 0.000 0.308 380 S C 0.689 175.368 174.600 0.132 0.000 1.246 380 S CA 0.442 58.665 58.200 0.038 0.000 1.077 380 S CB -0.494 62.658 63.200 -0.079 0.000 0.814 380 S HN 1.348 nan 8.310 nan 0.000 0.503 381 L N -0.211 121.196 121.223 0.307 0.000 4.696 381 L HA -0.259 4.081 4.340 -0.000 0.000 0.425 381 L C 2.031 179.003 176.870 0.171 0.000 1.115 381 L CA 0.877 55.899 54.840 0.302 0.000 0.996 381 L CB -2.750 39.413 42.059 0.172 0.000 2.077 381 L HN 0.882 nan 8.230 nan 0.000 0.792 382 T N -0.127 114.502 114.554 0.125 0.000 2.778 382 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 382 T C 1.345 176.195 174.700 0.250 0.000 1.050 382 T CA 2.180 64.363 62.100 0.139 0.000 1.137 382 T CB -0.116 68.771 68.868 0.032 0.000 0.860 382 T HN 0.592 nan 8.240 nan 0.000 0.468 383 E N 1.132 121.550 120.200 0.363 0.000 2.476 383 E HA 0.112 4.462 4.350 -0.000 0.000 0.191 383 E C 0.737 177.513 176.600 0.294 0.000 1.064 383 E CA -0.061 56.575 56.400 0.393 0.000 0.866 383 E CB 0.230 30.249 29.700 0.531 0.000 0.952 383 E HN 0.574 nan 8.360 nan 0.000 0.492 384 S N -0.675 115.089 115.700 0.107 0.000 2.709 384 S HA 0.398 4.868 4.470 -0.000 0.000 0.302 384 S C 0.692 175.323 174.600 0.053 0.000 1.127 384 S CA -0.935 57.263 58.200 -0.003 0.000 0.905 384 S CB 2.003 64.889 63.200 -0.523 0.000 1.151 384 S HN -0.055 nan 8.310 nan 0.000 0.510 385 R N 0.288 120.813 120.500 0.042 0.000 2.152 385 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 385 R C 0.166 176.417 176.300 -0.080 0.000 1.117 385 R CA 1.402 57.452 56.100 -0.084 0.000 0.981 385 R CB -0.388 29.871 30.300 -0.068 0.000 0.870 385 R HN 0.645 nan 8.270 nan 0.000 0.451 386 D N 1.064 121.419 120.400 -0.074 0.000 2.325 386 D HA 0.060 4.700 4.640 -0.000 0.000 0.234 386 D C -0.076 176.215 176.300 -0.015 0.000 1.122 386 D CA 0.124 54.095 54.000 -0.048 0.000 0.850 386 D CB 0.102 40.874 40.800 -0.047 0.000 0.921 386 D HN 0.138 nan 8.370 nan 0.000 0.513 387 A N 2.064 124.877 122.820 -0.011 0.000 2.558 387 A HA -0.084 4.236 4.320 -0.000 0.000 0.262 387 A C 0.975 178.582 177.584 0.038 0.000 1.049 387 A CA 0.139 52.196 52.037 0.034 0.000 0.804 387 A CB -0.048 18.980 19.000 0.047 0.000 0.957 387 A HN 0.131 nan 8.150 nan 0.000 0.520 388 D N 2.111 122.550 120.400 0.065 0.000 2.349 388 D HA 0.247 4.887 4.640 -0.000 0.000 0.215 388 D C 1.094 177.408 176.300 0.022 0.000 1.016 388 D CA 0.556 54.590 54.000 0.058 0.000 0.870 388 D CB -0.379 40.490 40.800 0.116 0.000 0.917 388 D HN 1.209 nan 8.370 nan 0.000 0.524 389 G N 0.641 109.445 108.800 0.007 0.000 2.390 389 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.299 389 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.299 389 G C 0.950 175.788 174.900 -0.103 0.000 1.002 389 G CA 0.931 46.007 45.100 -0.039 0.000 0.979 389 G HN 0.341 nan 8.290 nan 0.000 0.513 390 K N -1.607 118.712 120.400 -0.134 0.000 2.306 390 K HA 0.330 4.650 4.320 -0.000 0.000 0.200 390 K C 0.598 176.876 176.600 -0.538 0.000 1.083 390 K CA 0.659 56.750 56.287 -0.326 0.000 0.959 390 K CB 0.314 32.653 32.500 -0.267 0.000 0.994 390 K HN 0.541 nan 8.250 nan 0.000 0.492 391 W N 0.078 121.294 121.300 -0.139 0.000 2.844 391 W HA 0.528 5.188 4.660 -0.000 0.000 0.340 391 W C -1.268 175.146 176.519 -0.175 0.000 1.093 391 W CA -1.108 56.143 57.345 -0.158 0.000 1.212 391 W CB 1.429 30.761 29.460 -0.214 0.000 1.422 391 W HN -0.237 nan 8.180 nan 0.000 0.515 392 L N 3.314 124.655 121.223 0.197 0.000 2.409 392 L HA 0.753 5.093 4.340 -0.000 0.000 0.272 392 L C -1.490 175.446 176.870 0.110 0.000 0.980 392 L CA -0.725 54.134 54.840 0.032 0.000 0.826 392 L CB 1.615 43.596 42.059 -0.130 0.000 1.268 392 L HN 0.201 nan 8.230 nan 0.000 0.407 393 V N 5.485 125.458 119.914 0.098 0.000 2.435 393 V HA 0.617 4.737 4.120 -0.000 0.000 0.290 393 V C -0.539 175.619 176.094 0.105 0.000 1.030 393 V CA -0.630 61.740 62.300 0.116 0.000 0.881 393 V CB 1.932 33.807 31.823 0.087 0.000 0.983 393 V HN 0.541 nan 8.190 nan 0.000 0.445 394 V N 6.298 126.287 119.914 0.125 0.000 2.378 394 V HA 0.442 4.562 4.120 -0.000 0.000 0.288 394 V C -0.618 175.558 176.094 0.135 0.000 1.016 394 V CA -0.525 61.849 62.300 0.124 0.000 0.840 394 V CB 1.536 33.427 31.823 0.114 0.000 0.994 394 V HN 0.642 nan 8.190 nan 0.000 0.431 395 L N 4.499 125.798 121.223 0.128 0.000 2.272 395 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 395 L C 0.613 177.557 176.870 0.123 0.000 1.045 395 L CA 0.564 55.482 54.840 0.131 0.000 0.842 395 L CB 1.005 43.112 42.059 0.079 0.000 1.224 395 L HN 0.545 nan 8.230 nan 0.000 0.430 396 S N 1.913 117.685 115.700 0.120 0.000 2.632 396 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 396 S C 1.036 175.673 174.600 0.061 0.000 1.260 396 S CA -0.759 57.495 58.200 0.089 0.000 1.010 396 S CB 1.180 64.434 63.200 0.090 0.000 0.965 396 S HN 0.424 nan 8.310 nan 0.000 0.534 397 K N 0.480 120.856 120.400 -0.040 0.000 2.367 397 K HA 0.265 4.585 4.320 -0.000 0.000 0.194 397 K C -0.783 175.701 176.600 -0.194 0.000 1.027 397 K CA 0.449 56.630 56.287 -0.176 0.000 1.075 397 K CB 0.047 32.360 32.500 -0.311 0.000 0.845 397 K HN 0.401 nan 8.250 nan 0.000 0.529 398 F N 0.040 120.078 119.950 0.146 0.000 2.565 398 F HA 0.176 4.703 4.527 -0.000 0.000 0.313 398 F C 1.129 177.089 175.800 0.267 0.000 1.091 398 F CA -1.447 56.640 58.000 0.146 0.000 0.915 398 F CB 1.964 41.008 39.000 0.072 0.000 1.208 398 F HN -0.158 nan 8.300 nan 0.000 0.453 399 S N 0.292 116.288 115.700 0.493 0.000 2.559 399 S HA 0.206 4.676 4.470 -0.000 0.000 0.226 399 S C 0.967 175.791 174.600 0.374 0.000 1.030 399 S CA 0.011 58.495 58.200 0.474 0.000 0.956 399 S CB 0.036 63.568 63.200 0.554 0.000 0.900 399 S HN 0.670 nan 8.310 nan 0.000 0.510 400 K N 1.900 122.464 120.400 0.273 0.000 2.836 400 K HA -0.297 4.023 4.320 -0.000 0.000 0.175 400 K C 0.637 177.306 176.600 0.115 0.000 0.789 400 K CA 2.418 58.753 56.287 0.080 0.000 0.485 400 K CB -1.482 30.767 32.500 -0.418 0.000 0.744 400 K HN 0.658 nan 8.250 nan 0.000 0.798 401 D N 0.616 121.031 120.400 0.024 0.000 2.349 401 D HA 0.006 4.646 4.640 -0.000 0.000 0.214 401 D C 1.288 177.560 176.300 -0.047 0.000 1.063 401 D CA 0.159 54.163 54.000 0.008 0.000 0.847 401 D CB 0.097 40.893 40.800 -0.005 0.000 0.933 401 D HN 0.199 nan 8.370 nan 0.000 0.513 402 R N -0.135 120.291 120.500 -0.124 0.000 2.127 402 R HA 0.016 4.356 4.340 -0.000 0.000 0.238 402 R C 0.083 175.879 176.300 -0.840 0.000 1.134 402 R CA 0.815 56.572 56.100 -0.570 0.000 0.975 402 R CB -0.249 29.485 30.300 -0.943 0.000 0.865 402 R HN 0.259 nan 8.270 nan 0.000 0.447 403 F N -1.021 118.959 119.950 0.050 0.000 2.640 403 F HA 0.381 4.908 4.527 -0.000 0.000 0.324 403 F C 0.510 176.303 175.800 -0.012 0.000 1.077 403 F CA -1.325 56.684 58.000 0.014 0.000 0.965 403 F CB 0.435 39.446 39.000 0.018 0.000 1.351 403 F HN -0.325 nan 8.300 nan 0.000 0.487 404 L N 3.424 124.759 121.223 0.187 0.000 2.554 404 L HA 0.059 4.399 4.340 -0.000 0.000 0.293 404 L C -1.922 174.970 176.870 0.037 0.000 1.252 404 L CA -1.292 53.594 54.840 0.077 0.000 0.862 404 L CB -0.108 41.985 42.059 0.057 0.000 1.113 404 L HN 0.306 nan 8.230 nan 0.000 0.510 405 P HA 0.044 nan 4.420 nan 0.000 0.271 405 P C -0.082 177.185 177.300 -0.055 0.000 1.216 405 P CA -0.098 62.958 63.100 -0.074 0.000 0.771 405 P CB 1.231 32.897 31.700 -0.057 0.000 0.864 406 V N -1.110 118.751 119.914 -0.088 0.000 3.172 406 V HA 0.638 4.758 4.120 -0.000 0.000 0.343 406 V C 0.377 176.467 176.094 -0.007 0.000 1.429 406 V CA 0.216 62.499 62.300 -0.029 0.000 1.149 406 V CB -0.180 31.642 31.823 -0.002 0.000 1.106 406 V HN 0.950 nan 8.190 nan 0.000 0.526 407 G N 1.103 109.890 108.800 -0.021 0.000 2.434 407 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.671 407 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.671 407 G C -1.999 172.963 174.900 0.103 0.000 1.280 407 G CA -0.114 45.008 45.100 0.038 0.000 0.975 407 G HN 0.203 nan 8.290 nan 0.000 0.510 408 P HA 0.073 nan 4.420 nan 0.000 0.218 408 P C 1.161 178.633 177.300 0.287 0.000 1.149 408 P CA 0.541 63.757 63.100 0.193 0.000 0.817 408 P CB 0.194 31.958 31.700 0.106 0.000 0.785 409 L N 0.812 122.175 121.223 0.233 0.000 2.278 409 L HA 0.136 4.476 4.340 -0.000 0.000 0.287 409 L C 0.181 177.243 176.870 0.319 0.000 1.072 409 L CA -0.118 54.861 54.840 0.231 0.000 0.819 409 L CB 0.015 42.169 42.059 0.159 0.000 1.176 409 L HN 0.159 nan 8.230 nan 0.000 0.435 410 H N 4.966 124.097 119.070 0.101 0.000 2.525 410 H HA 0.453 5.009 4.556 -0.000 0.000 0.340 410 H C -2.094 173.316 175.328 0.136 0.000 1.168 410 H CA -1.942 54.185 56.048 0.131 0.000 1.247 410 H CB 1.711 31.563 29.762 0.150 0.000 1.568 410 H HN 0.495 nan 8.280 nan 0.000 0.536 411 P HA 0.081 nan 4.420 nan 0.000 0.279 411 P C -0.412 177.036 177.300 0.247 0.000 1.276 411 P CA -0.549 62.663 63.100 0.187 0.000 0.801 411 P CB 1.458 33.207 31.700 0.082 0.000 1.127 412 E N 0.335 120.643 120.200 0.179 0.000 2.292 412 E HA 0.302 4.652 4.350 -0.000 0.000 0.258 412 E C -0.240 176.530 176.600 0.282 0.000 1.115 412 E CA -0.421 56.103 56.400 0.206 0.000 0.929 412 E CB 0.212 29.990 29.700 0.129 0.000 1.161 412 E HN 0.375 nan 8.360 nan 0.000 0.453 413 N N 1.067 119.944 118.700 0.295 0.000 2.549 413 N HA 0.139 4.879 4.740 -0.000 0.000 0.281 413 N C -1.924 173.743 175.510 0.262 0.000 1.084 413 N CA -0.376 52.889 53.050 0.357 0.000 0.862 413 N CB 0.727 39.456 38.487 0.402 0.000 1.333 413 N HN 0.093 nan 8.380 nan 0.000 0.523 414 D N 2.341 122.907 120.400 0.276 0.000 2.373 414 D HA 0.217 4.857 4.640 -0.000 0.000 0.227 414 D C -0.267 176.194 176.300 0.268 0.000 1.091 414 D CA -0.027 54.145 54.000 0.287 0.000 0.840 414 D CB 1.203 42.268 40.800 0.443 0.000 1.060 414 D HN 0.484 nan 8.370 nan 0.000 0.502 415 Q N 1.099 121.025 119.800 0.210 0.000 2.256 415 Q HA 0.437 4.777 4.340 -0.000 0.000 0.257 415 Q C -0.501 175.604 176.000 0.175 0.000 0.936 415 Q CA -1.045 54.868 55.803 0.183 0.000 0.903 415 Q CB 2.377 31.187 28.738 0.120 0.000 1.263 415 Q HN 0.286 nan 8.270 nan 0.000 0.440 416 L N 4.022 125.348 121.223 0.171 0.000 2.265 416 L HA 0.422 4.762 4.340 -0.000 0.000 0.288 416 L C -1.239 175.752 176.870 0.202 0.000 1.058 416 L CA 0.173 55.085 54.840 0.120 0.000 0.809 416 L CB 0.472 42.496 42.059 -0.059 0.000 1.179 416 L HN 0.550 nan 8.230 nan 0.000 0.429 417 I N 4.362 125.085 120.570 0.254 0.000 2.433 417 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 417 I C -0.463 175.851 176.117 0.329 0.000 1.001 417 I CA -0.754 60.697 61.300 0.252 0.000 1.119 417 I CB 1.764 39.851 38.000 0.144 0.000 1.289 417 I HN 0.507 nan 8.210 nan 0.000 0.438 418 D N 7.344 127.882 120.400 0.229 0.000 2.325 418 D HA 0.234 4.874 4.640 -0.000 0.000 0.251 418 D C 0.337 176.581 176.300 -0.094 0.000 1.196 418 D CA -0.058 53.899 54.000 -0.073 0.000 0.866 418 D CB 1.071 41.800 40.800 -0.119 0.000 1.101 418 D HN 0.563 nan 8.370 nan 0.000 0.476 419 I N 0.985 121.446 120.570 -0.181 0.000 3.833 419 I HA 0.128 4.298 4.170 -0.000 0.000 0.328 419 I C 1.240 177.283 176.117 -0.124 0.000 1.554 419 I CA -0.490 60.742 61.300 -0.113 0.000 1.116 419 I CB 0.298 38.175 38.000 -0.205 0.000 1.182 419 I HN 0.126 nan 8.210 nan 0.000 0.459 420 S N 0.331 115.907 115.700 -0.206 0.000 2.481 420 S HA 0.197 4.667 4.470 -0.000 0.000 0.231 420 S C 1.119 175.665 174.600 -0.089 0.000 0.996 420 S CA 0.443 58.538 58.200 -0.175 0.000 0.942 420 S CB -0.424 62.623 63.200 -0.254 0.000 0.768 420 S HN 0.586 nan 8.310 nan 0.000 0.520 421 G N 0.518 109.279 108.800 -0.065 0.000 2.795 421 G HA2 0.467 4.427 3.960 -0.000 0.000 0.267 421 G HA3 0.467 4.427 3.960 -0.000 0.000 0.267 421 G C 0.179 175.086 174.900 0.011 0.000 1.362 421 G CA -0.252 44.832 45.100 -0.025 0.000 1.048 421 G HN 0.263 nan 8.290 nan 0.000 0.547 422 E N -0.783 119.427 120.200 0.017 0.000 2.158 422 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 422 E C 0.304 176.931 176.600 0.045 0.000 0.982 422 E CA 0.660 57.078 56.400 0.030 0.000 0.823 422 E CB 0.087 29.799 29.700 0.020 0.000 0.766 422 E HN 0.529 nan 8.360 nan 0.000 0.468 423 E N 0.423 120.648 120.200 0.041 0.000 2.202 423 E HA 0.295 4.645 4.350 -0.000 0.000 0.272 423 E C -0.796 175.844 176.600 0.067 0.000 0.951 423 E CA -0.596 55.836 56.400 0.053 0.000 0.813 423 E CB 1.841 31.564 29.700 0.038 0.000 1.151 423 E HN 0.111 nan 8.360 nan 0.000 0.398 424 M N 2.327 121.985 119.600 0.096 0.000 2.200 424 M HA 0.225 4.704 4.480 -0.000 0.000 0.355 424 M C -0.286 176.060 176.300 0.077 0.000 1.283 424 M CA 0.494 55.857 55.300 0.105 0.000 1.124 424 M CB 0.369 33.061 32.600 0.153 0.000 1.625 424 M HN 0.130 nan 8.290 nan 0.000 0.463 425 K N 3.112 123.555 120.400 0.072 0.000 2.507 425 K HA 0.432 4.752 4.320 -0.000 0.000 0.252 425 K C -1.316 175.347 176.600 0.104 0.000 0.943 425 K CA -0.929 55.403 56.287 0.074 0.000 0.808 425 K CB 2.349 34.885 32.500 0.060 0.000 1.142 425 K HN 0.464 nan 8.250 nan 0.000 0.426 426 L N 3.784 125.063 121.223 0.094 0.000 2.455 426 L HA 0.023 4.363 4.340 -0.000 0.000 0.272 426 L C 0.273 177.223 176.870 0.133 0.000 1.174 426 L CA 0.701 55.605 54.840 0.107 0.000 0.869 426 L CB 0.947 43.045 42.059 0.066 0.000 1.130 426 L HN 0.617 nan 8.230 nan 0.000 0.474 427 V N 3.881 123.902 119.914 0.178 0.000 3.359 427 V HA 0.246 4.366 4.120 -0.000 0.000 0.245 427 V C 0.178 176.405 176.094 0.222 0.000 1.247 427 V CA 0.090 62.513 62.300 0.206 0.000 1.145 427 V CB -0.128 31.865 31.823 0.284 0.000 0.906 427 V HN 0.856 nan 8.190 nan 0.000 0.464 428 H N 0.120 119.235 119.070 0.074 0.000 3.038 428 H HA 0.423 4.979 4.556 -0.000 0.000 0.362 428 H C -1.957 173.421 175.328 0.083 0.000 1.167 428 H CA -0.421 55.665 56.048 0.062 0.000 1.197 428 H CB 2.502 32.269 29.762 0.009 0.000 1.840 428 H HN 0.122 nan 8.280 nan 0.000 0.540 429 D N 2.011 122.269 120.400 -0.236 0.000 2.392 429 D HA 0.334 4.974 4.640 -0.000 0.000 0.228 429 D C -0.073 176.295 176.300 0.114 0.000 1.074 429 D CA -0.064 53.956 54.000 0.033 0.000 0.838 429 D CB 1.476 42.291 40.800 0.025 0.000 1.067 429 D HN 0.651 nan 8.370 nan 0.000 0.511 430 G N 3.165 112.153 108.800 0.313 0.000 2.468 430 G HA2 0.443 4.403 3.960 -0.000 0.000 0.320 430 G HA3 0.443 4.403 3.960 -0.000 0.000 0.320 430 G C -2.580 172.352 174.900 0.054 0.000 1.137 430 G CA -1.363 43.874 45.100 0.227 0.000 0.984 430 G HN 0.181 nan 8.290 nan 0.000 0.462 431 P HA 0.266 nan 4.420 nan 0.000 0.271 431 P C -0.334 176.833 177.300 -0.222 0.000 1.216 431 P CA 0.148 62.869 63.100 -0.633 0.000 0.771 431 P CB 1.653 32.597 31.700 -1.260 0.000 0.864 432 T N 2.593 117.106 114.554 -0.069 0.000 2.896 432 T HA 0.327 4.677 4.350 -0.000 0.000 0.297 432 T C -0.991 173.768 174.700 0.099 0.000 1.108 432 T CA -0.196 61.919 62.100 0.024 0.000 1.004 432 T CB 1.206 70.130 68.868 0.093 0.000 1.159 432 T HN 0.281 nan 8.240 nan 0.000 0.499 433 Y N 1.765 122.058 120.300 -0.012 0.000 2.480 433 Y HA 0.518 5.068 4.550 -0.000 0.000 0.323 433 Y C 0.700 176.600 175.900 0.001 0.000 1.267 433 Y CA -0.337 57.762 58.100 -0.001 0.000 1.336 433 Y CB 0.546 38.996 38.460 -0.017 0.000 1.361 433 Y HN 0.958 nan 8.280 nan 0.000 0.518 434 A N 3.353 125.659 122.820 -0.856 0.000 1.991 434 A HA -0.297 4.023 4.320 -0.000 0.000 0.257 434 A C 0.484 177.885 177.584 -0.305 0.000 1.283 434 A CA 1.319 52.959 52.037 -0.662 0.000 0.762 434 A CB -2.042 16.639 19.000 -0.533 0.000 1.135 434 A HN 0.833 nan 8.150 nan 0.000 0.321 435 E N -0.623 119.484 120.200 -0.155 0.000 0.981 435 E HA -0.204 4.146 4.350 -0.000 0.000 0.304 435 E C -1.764 174.811 176.600 -0.042 0.000 1.010 435 E CA 0.671 57.037 56.400 -0.057 0.000 1.090 435 E CB -0.114 29.597 29.700 0.019 0.000 0.712 435 E HN 0.638 nan 8.360 nan 0.000 0.321 436 P HA 0.072 nan 4.420 nan 0.000 0.276 436 P C -0.118 177.155 177.300 -0.045 0.000 1.252 436 P CA -0.116 63.041 63.100 0.095 0.000 0.802 436 P CB 0.936 32.777 31.700 0.235 0.000 1.035 437 H N -0.745 118.282 119.070 -0.073 0.000 2.570 437 H HA 0.176 4.731 4.556 -0.000 0.000 0.268 437 H C 0.002 175.209 175.328 -0.202 0.000 1.175 437 H CA 0.347 56.386 56.048 -0.016 0.000 1.686 437 H CB -0.003 29.745 29.762 -0.023 0.000 1.456 437 H HN 0.431 nan 8.280 nan 0.000 0.592 438 D N 0.113 120.276 120.400 -0.395 0.000 2.385 438 D HA 0.362 5.002 4.640 -0.000 0.000 0.254 438 D C -0.458 175.516 176.300 -0.543 0.000 1.053 438 D CA -0.397 53.186 54.000 -0.695 0.000 0.992 438 D CB 1.735 41.958 40.800 -0.962 0.000 1.145 438 D HN 0.489 nan 8.370 nan 0.000 0.523 439 C N 0.428 119.330 119.300 -0.663 0.000 3.321 439 C HA 0.821 5.281 4.460 -0.000 0.000 0.329 439 C C -1.173 173.274 174.990 -0.905 0.000 1.394 439 C CA -0.958 57.589 59.018 -0.787 0.000 1.291 439 C CB 0.091 26.960 27.740 -1.452 0.000 1.606 439 C HN 0.661 nan 8.230 nan 0.000 0.463 440 I N 1.540 121.726 120.570 -0.641 0.000 2.607 440 I HA 0.621 4.791 4.170 -0.000 0.000 0.290 440 I C -1.393 174.656 176.117 -0.112 0.000 1.129 440 I CA -0.949 59.985 61.300 -0.609 0.000 1.042 440 I CB 1.584 39.404 38.000 -0.300 0.000 1.242 440 I HN 0.804 nan 8.210 nan 0.000 0.421 441 L N 7.688 128.979 121.223 0.114 0.000 2.322 441 L HA 0.736 5.076 4.340 -0.000 0.000 0.279 441 L C -0.474 176.631 176.870 0.391 0.000 1.036 441 L CA -0.955 54.033 54.840 0.246 0.000 0.807 441 L CB 1.553 43.727 42.059 0.192 0.000 1.226 441 L HN 0.451 nan 8.230 nan 0.000 0.433 442 V N -0.217 119.959 119.914 0.435 0.000 2.876 442 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 442 V C -0.197 176.193 176.094 0.495 0.000 1.085 442 V CA -1.134 61.466 62.300 0.500 0.000 0.945 442 V CB 1.910 33.974 31.823 0.402 0.000 1.017 442 V HN 0.721 nan 8.190 nan 0.000 0.428 443 R N 1.596 122.318 120.500 0.371 0.000 2.590 443 R HA 0.236 4.576 4.340 -0.000 0.000 0.274 443 R C 1.598 177.947 176.300 0.082 0.000 1.061 443 R CA 0.131 56.259 56.100 0.045 0.000 1.081 443 R CB 0.605 30.906 30.300 0.002 0.000 0.984 443 R HN 0.910 nan 8.270 nan 0.000 0.448 444 R N 2.089 122.523 120.500 -0.111 0.000 2.133 444 R HA -0.227 4.112 4.340 -0.000 0.000 0.247 444 R C 0.653 177.005 176.300 0.087 0.000 1.151 444 R CA 2.608 58.636 56.100 -0.119 0.000 0.971 444 R CB -0.148 30.010 30.300 -0.237 0.000 0.866 444 R HN 0.759 nan 8.270 nan 0.000 0.447 445 D N -1.036 119.390 120.400 0.044 0.000 2.340 445 D HA -0.079 4.561 4.640 -0.000 0.000 0.220 445 D C 0.958 177.318 176.300 0.100 0.000 1.039 445 D CA 0.285 54.324 54.000 0.064 0.000 0.866 445 D CB 0.180 40.993 40.800 0.021 0.000 0.913 445 D HN 0.406 nan 8.370 nan 0.000 0.523 446 Q N -0.122 119.773 119.800 0.157 0.000 2.360 446 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 446 Q C -0.041 176.044 176.000 0.143 0.000 0.915 446 Q CA 0.134 56.036 55.803 0.165 0.000 0.943 446 Q CB 0.965 29.851 28.738 0.246 0.000 1.064 446 Q HN 0.387 nan 8.270 nan 0.000 0.511 447 I N 0.800 121.465 120.570 0.157 0.000 2.509 447 I HA 0.298 4.468 4.170 -0.000 0.000 0.293 447 I C -0.347 175.803 176.117 0.056 0.000 1.020 447 I CA -0.592 60.754 61.300 0.078 0.000 1.088 447 I CB 1.928 39.944 38.000 0.027 0.000 1.267 447 I HN -0.125 nan 8.210 nan 0.000 0.430 448 K N 4.135 124.530 120.400 -0.009 0.000 2.484 448 K HA 0.367 4.687 4.320 -0.000 0.000 0.226 448 K C -0.395 176.177 176.600 -0.046 0.000 1.031 448 K CA -0.313 55.965 56.287 -0.015 0.000 1.026 448 K CB 1.203 33.687 32.500 -0.027 0.000 1.412 448 K HN 0.524 nan 8.250 nan 0.000 0.492 449 T N 2.032 116.567 114.554 -0.032 0.000 2.913 449 T HA 0.191 4.541 4.350 -0.000 0.000 0.297 449 T C 0.137 174.800 174.700 -0.062 0.000 1.029 449 T CA -0.183 61.882 62.100 -0.058 0.000 1.104 449 T CB 0.811 69.658 68.868 -0.034 0.000 0.964 449 T HN 0.262 nan 8.240 nan 0.000 0.532 450 K N 1.514 121.855 120.400 -0.098 0.000 2.166 450 K HA 0.453 4.773 4.320 -0.000 0.000 0.245 450 K C 0.536 177.062 176.600 -0.123 0.000 0.967 450 K CA -0.875 55.346 56.287 -0.111 0.000 0.863 450 K CB 1.394 33.804 32.500 -0.150 0.000 1.107 450 K HN 0.253 nan 8.250 nan 0.000 0.436 451 K N 0.486 120.824 120.400 -0.104 0.000 2.350 451 K HA 0.202 4.522 4.320 -0.000 0.000 0.196 451 K C 0.100 176.638 176.600 -0.104 0.000 1.084 451 K CA 0.264 56.498 56.287 -0.088 0.000 0.967 451 K CB 0.397 32.871 32.500 -0.044 0.000 0.950 451 K HN 0.582 nan 8.250 nan 0.000 0.512 452 I N -2.424 118.084 120.570 -0.102 0.000 2.730 452 I HA 0.423 4.593 4.170 -0.000 0.000 0.298 452 I C -1.152 174.927 176.117 -0.064 0.000 1.089 452 I CA -1.139 60.132 61.300 -0.048 0.000 1.041 452 I CB 1.448 39.462 38.000 0.024 0.000 1.235 452 I HN -0.159 nan 8.210 nan 0.000 0.423 453 Y N 2.640 122.994 120.300 0.089 0.000 2.336 453 Y HA 0.341 4.891 4.550 -0.000 0.000 0.331 453 Y C 0.541 176.528 175.900 0.144 0.000 1.211 453 Y CA 0.143 58.333 58.100 0.151 0.000 1.346 453 Y CB 0.643 39.273 38.460 0.284 0.000 1.271 453 Y HN 0.512 nan 8.280 nan 0.000 0.538 454 E N 2.599 122.971 120.200 0.288 0.000 2.301 454 E HA 0.187 4.537 4.350 -0.000 0.000 0.275 454 E C 0.471 177.228 176.600 0.261 0.000 1.030 454 E CA -0.767 55.745 56.400 0.187 0.000 0.852 454 E CB 0.975 30.731 29.700 0.092 0.000 1.060 454 E HN 0.524 nan 8.360 nan 0.000 0.401 455 R N 1.487 122.121 120.500 0.224 0.000 2.285 455 R HA -0.108 4.232 4.340 -0.000 0.000 0.213 455 R C 0.959 177.371 176.300 0.185 0.000 1.068 455 R CA 0.855 57.129 56.100 0.290 0.000 1.004 455 R CB -0.624 29.787 30.300 0.186 0.000 0.873 455 R HN 0.652 nan 8.270 nan 0.000 0.467 456 N N -0.123 118.601 118.700 0.040 0.000 2.251 456 N HA -0.012 4.728 4.740 -0.000 0.000 0.217 456 N C -0.252 175.146 175.510 -0.188 0.000 1.124 456 N CA -0.383 52.634 53.050 -0.055 0.000 0.843 456 N CB 0.369 38.845 38.487 -0.018 0.000 1.024 456 N HN -0.086 nan 8.380 nan 0.000 0.501 457 D N 1.748 121.943 120.400 -0.342 0.000 2.455 457 D HA 0.039 4.679 4.640 -0.000 0.000 0.241 457 D C -1.327 174.672 176.300 -0.501 0.000 1.138 457 D CA -1.508 52.270 54.000 -0.370 0.000 0.877 457 D CB 1.632 42.305 40.800 -0.211 0.000 1.187 457 D HN 0.039 nan 8.370 nan 0.000 0.451 458 P HA -0.170 nan 4.420 nan 0.000 0.216 458 P C 1.108 178.384 177.300 -0.040 0.000 1.150 458 P CA 0.759 63.795 63.100 -0.107 0.000 0.837 458 P CB -0.074 31.613 31.700 -0.023 0.000 0.786 459 Y N 0.390 120.591 120.300 -0.166 0.000 2.639 459 Y HA -0.129 4.421 4.550 -0.000 0.000 0.289 459 Y C 0.865 176.813 175.900 0.079 0.000 1.155 459 Y CA 0.560 58.658 58.100 -0.003 0.000 1.379 459 Y CB -0.968 37.571 38.460 0.133 0.000 0.967 459 Y HN 0.041 nan 8.280 nan 0.000 0.569 460 F N -4.623 115.348 119.950 0.035 0.000 2.697 460 F HA 0.617 5.144 4.527 -0.000 0.000 0.367 460 F C 1.076 176.875 175.800 -0.001 0.000 1.300 460 F CA -0.335 57.629 58.000 -0.061 0.000 1.121 460 F CB -0.938 37.969 39.000 -0.156 0.000 1.188 460 F HN -0.195 nan 8.300 nan 0.000 0.511 461 A N 0.822 123.626 122.820 -0.027 0.000 1.972 461 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 461 A C 2.368 179.986 177.584 0.056 0.000 1.169 461 A CA 2.262 54.294 52.037 -0.010 0.000 0.635 461 A CB -0.942 18.037 19.000 -0.035 0.000 0.810 461 A HN 0.594 nan 8.150 nan 0.000 0.446 462 S N -1.009 114.736 115.700 0.074 0.000 2.406 462 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 462 S C 1.886 176.558 174.600 0.120 0.000 1.020 462 S CA 1.209 59.455 58.200 0.077 0.000 0.965 462 S CB -1.214 62.023 63.200 0.062 0.000 0.798 462 S HN 0.584 nan 8.310 nan 0.000 0.488 463 C N 3.133 122.541 119.300 0.180 0.000 2.432 463 C HA -0.009 4.451 4.460 -0.000 0.000 0.277 463 C C 3.011 178.076 174.990 0.124 0.000 1.249 463 C CA 1.035 60.198 59.018 0.242 0.000 1.725 463 C CB -1.176 26.734 27.740 0.284 0.000 2.028 463 C HN 0.744 nan 8.230 nan 0.000 0.477 464 R N 1.927 122.507 120.500 0.134 0.000 2.189 464 R HA 0.095 4.435 4.340 -0.000 0.000 0.218 464 R C 2.099 178.407 176.300 0.014 0.000 1.074 464 R CA 1.344 57.481 56.100 0.062 0.000 0.991 464 R CB -0.612 29.743 30.300 0.092 0.000 0.883 464 R HN 0.432 nan 8.270 nan 0.000 0.457 465 A N 1.741 124.578 122.820 0.029 0.000 1.902 465 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 465 A C 2.223 179.803 177.584 -0.008 0.000 1.181 465 A CA 1.580 53.621 52.037 0.008 0.000 0.623 465 A CB -0.407 18.604 19.000 0.018 0.000 0.818 465 A HN 0.354 nan 8.150 nan 0.000 0.443 466 Q N -0.248 119.554 119.800 0.003 0.000 2.230 466 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 466 Q C 1.901 177.865 176.000 -0.060 0.000 0.963 466 Q CA 1.716 57.512 55.803 -0.012 0.000 0.866 466 Q CB -0.533 28.217 28.738 0.019 0.000 0.931 466 Q HN 0.533 nan 8.270 nan 0.000 0.452 467 A N 0.183 122.942 122.820 -0.102 0.000 1.898 467 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 467 A C 2.024 179.480 177.584 -0.214 0.000 1.181 467 A CA 1.642 53.531 52.037 -0.247 0.000 0.620 467 A CB -0.731 18.124 19.000 -0.240 0.000 0.819 467 A HN 0.475 nan 8.150 nan 0.000 0.442 468 E N 0.458 120.584 120.200 -0.124 0.000 2.085 468 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 468 E C 1.910 178.454 176.600 -0.093 0.000 0.994 468 E CA 1.968 58.309 56.400 -0.098 0.000 0.801 468 E CB -0.229 29.436 29.700 -0.059 0.000 0.743 468 E HN 0.621 nan 8.360 nan 0.000 0.453 469 K N -0.102 120.253 120.400 -0.076 0.000 2.057 469 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 469 K C 1.252 177.805 176.600 -0.078 0.000 1.049 469 K CA 1.376 57.627 56.287 -0.061 0.000 0.931 469 K CB -0.034 32.442 32.500 -0.039 0.000 0.714 469 K HN 0.174 nan 8.250 nan 0.000 0.440 470 D N -0.364 119.970 120.400 -0.111 0.000 2.349 470 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 470 D C 0.645 176.839 176.300 -0.177 0.000 1.029 470 D CA 0.562 54.483 54.000 -0.131 0.000 0.879 470 D CB 0.396 41.113 40.800 -0.138 0.000 0.906 470 D HN 0.376 nan 8.370 nan 0.000 0.528 471 G N 1.303 110.000 108.800 -0.171 0.000 2.246 471 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.273 471 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.273 471 G C 0.393 175.159 174.900 -0.223 0.000 1.055 471 G CA 0.611 45.614 45.100 -0.162 0.000 0.851 471 G HN 0.434 nan 8.290 nan 0.000 0.500 472 V N -2.938 116.776 119.914 -0.333 0.000 2.667 472 V HA 0.931 5.051 4.120 -0.000 0.000 0.308 472 V C 0.201 176.108 176.094 -0.312 0.000 1.048 472 V CA -0.334 61.717 62.300 -0.414 0.000 0.928 472 V CB 2.282 33.600 31.823 -0.842 0.000 1.004 472 V HN 0.397 nan 8.190 nan 0.000 0.444 473 T N 5.935 120.349 114.554 -0.233 0.000 2.853 473 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 473 T C 1.251 175.867 174.700 -0.140 0.000 1.059 473 T CA -0.252 61.758 62.100 -0.150 0.000 0.954 473 T CB 0.832 69.639 68.868 -0.100 0.000 0.994 473 T HN 0.666 nan 8.240 nan 0.000 0.479 474 L N 1.925 123.072 121.223 -0.128 0.000 2.103 474 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 474 L C 2.110 178.948 176.870 -0.052 0.000 1.080 474 L CA 1.543 56.334 54.840 -0.082 0.000 0.764 474 L CB -0.318 41.713 42.059 -0.046 0.000 0.890 474 L HN 0.548 nan 8.230 nan 0.000 0.435 475 E N -0.912 119.264 120.200 -0.040 0.000 2.511 475 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 475 E C 1.626 178.212 176.600 -0.023 0.000 1.066 475 E CA 0.863 57.249 56.400 -0.023 0.000 0.871 475 E CB 0.133 29.828 29.700 -0.007 0.000 0.863 475 E HN 0.564 nan 8.360 nan 0.000 0.520 476 S N -1.891 113.787 115.700 -0.037 0.000 2.560 476 S HA 0.114 4.584 4.470 -0.000 0.000 0.281 476 S C 0.140 174.717 174.600 -0.040 0.000 1.075 476 S CA -0.597 57.585 58.200 -0.031 0.000 1.295 476 S CB 0.296 63.478 63.200 -0.030 0.000 1.156 476 S HN -0.094 nan 8.310 nan 0.000 0.627 477 D N 2.960 123.320 120.400 -0.066 0.000 2.313 477 D HA 0.455 5.095 4.640 -0.000 0.000 0.247 477 D C -0.514 175.761 176.300 -0.043 0.000 1.094 477 D CA 0.008 53.962 54.000 -0.076 0.000 0.925 477 D CB 0.429 41.141 40.800 -0.147 0.000 1.188 477 D HN 0.215 nan 8.370 nan 0.000 0.430 478 N N 1.651 120.333 118.700 -0.031 0.000 2.722 478 N HA 0.138 4.878 4.740 -0.000 0.000 0.242 478 N C -0.978 174.525 175.510 -0.011 0.000 1.398 478 N CA -0.311 52.736 53.050 -0.005 0.000 0.755 478 N CB 1.197 39.691 38.487 0.013 0.000 1.268 478 N HN 0.198 nan 8.380 nan 0.000 0.522 479 K N 0.076 120.470 120.400 -0.009 0.000 2.350 479 K HA 0.661 4.981 4.320 -0.000 0.000 0.241 479 K C -0.597 176.010 176.600 0.012 0.000 0.994 479 K CA -0.857 55.422 56.287 -0.012 0.000 0.839 479 K CB 2.671 35.139 32.500 -0.053 0.000 1.244 479 K HN -0.129 nan 8.250 nan 0.000 0.443 480 V N 2.747 122.657 119.914 -0.007 0.000 2.448 480 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 480 V C -0.678 175.417 176.094 0.001 0.000 1.025 480 V CA -0.728 61.553 62.300 -0.032 0.000 0.859 480 V CB 1.280 33.088 31.823 -0.024 0.000 0.988 480 V HN 0.578 nan 8.190 nan 0.000 0.431 481 I N 5.374 125.952 120.570 0.013 0.000 2.389 481 I HA 0.524 4.694 4.170 -0.000 0.000 0.288 481 I C 0.121 176.237 176.117 -0.003 0.000 0.999 481 I CA -0.455 60.855 61.300 0.017 0.000 1.129 481 I CB 1.608 39.644 38.000 0.060 0.000 1.288 481 I HN 0.465 nan 8.210 nan 0.000 0.444 482 R N 3.764 124.262 120.500 -0.003 0.000 2.346 482 R HA 0.386 4.726 4.340 -0.000 0.000 0.311 482 R C -0.874 175.421 176.300 -0.008 0.000 0.983 482 R CA -0.622 55.475 56.100 -0.006 0.000 0.880 482 R CB 1.236 31.537 30.300 0.002 0.000 1.100 482 R HN 0.423 nan 8.270 nan 0.000 0.453 483 D N 2.294 122.686 120.400 -0.013 0.000 2.735 483 D HA 0.237 4.877 4.640 -0.000 0.000 0.291 483 D C 0.662 176.954 176.300 -0.014 0.000 1.205 483 D CA 0.598 54.590 54.000 -0.013 0.000 0.777 483 D CB 0.421 41.213 40.800 -0.014 0.000 1.234 483 D HN 0.725 nan 8.370 nan 0.000 0.520 484 G N 2.483 111.277 108.800 -0.010 0.000 2.652 484 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.278 484 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.278 484 G C 0.915 175.810 174.900 -0.009 0.000 1.263 484 G CA 0.181 45.276 45.100 -0.008 0.000 0.966 484 G HN 0.412 nan 8.290 nan 0.000 0.544 485 N N 1.900 120.592 118.700 -0.012 0.000 2.353 485 N HA 0.112 4.851 4.740 -0.000 0.000 0.185 485 N C 0.583 176.076 175.510 -0.027 0.000 1.098 485 N CA 0.736 53.778 53.050 -0.014 0.000 0.872 485 N CB 0.310 38.790 38.487 -0.012 0.000 0.970 485 N HN 0.563 nan 8.380 nan 0.000 0.467 486 K N 0.725 121.105 120.400 -0.033 0.000 2.130 486 K HA 0.515 4.835 4.320 -0.000 0.000 0.268 486 K C -0.671 175.897 176.600 -0.053 0.000 0.983 486 K CA -0.436 55.819 56.287 -0.053 0.000 0.893 486 K CB 2.442 34.913 32.500 -0.048 0.000 1.066 486 K HN -0.294 nan 8.250 nan 0.000 0.450 487 V N 3.318 123.180 119.914 -0.085 0.000 2.569 487 V HA 0.330 4.450 4.120 -0.000 0.000 0.301 487 V C -0.656 175.349 176.094 -0.148 0.000 1.044 487 V CA -0.876 61.373 62.300 -0.086 0.000 0.874 487 V CB 1.654 33.442 31.823 -0.059 0.000 1.002 487 V HN 0.692 nan 8.190 nan 0.000 0.424 488 R N 3.221 123.645 120.500 -0.127 0.000 2.343 488 R HA 0.722 5.062 4.340 -0.000 0.000 0.320 488 R C -1.229 174.911 176.300 -0.266 0.000 0.956 488 R CA -0.567 55.420 56.100 -0.189 0.000 0.836 488 R CB 2.203 32.434 30.300 -0.115 0.000 1.151 488 R HN 0.511 nan 8.270 nan 0.000 0.450 489 V N 4.754 124.415 119.914 -0.421 0.000 2.417 489 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 489 V C -0.944 174.884 176.094 -0.443 0.000 1.024 489 V CA -0.763 61.253 62.300 -0.473 0.000 0.861 489 V CB 1.084 32.388 31.823 -0.866 0.000 0.985 489 V HN 0.593 nan 8.190 nan 0.000 0.436 490 Y N 4.929 125.093 120.300 -0.227 0.000 2.328 490 Y HA 0.704 5.254 4.550 -0.000 0.000 0.337 490 Y C 0.268 176.061 175.900 -0.178 0.000 0.966 490 Y CA -0.474 57.520 58.100 -0.177 0.000 1.136 490 Y CB 1.620 39.960 38.460 -0.199 0.000 1.170 490 Y HN 0.481 nan 8.280 nan 0.000 0.470 491 M N 1.498 121.071 119.600 -0.045 0.000 2.716 491 M HA 0.519 4.999 4.480 -0.000 0.000 0.307 491 M C -0.444 175.862 176.300 0.011 0.000 1.223 491 M CA -0.745 54.534 55.300 -0.035 0.000 0.871 491 M CB 2.662 35.203 32.600 -0.099 0.000 1.739 491 M HN 0.536 nan 8.290 nan 0.000 0.475 492 T N 0.738 115.319 114.554 0.045 0.000 2.912 492 T HA 0.716 5.066 4.350 -0.000 0.000 0.288 492 T C -1.194 173.537 174.700 0.051 0.000 1.030 492 T CA -0.523 61.596 62.100 0.031 0.000 1.020 492 T CB 1.175 70.053 68.868 0.016 0.000 1.056 492 T HN 0.754 nan 8.240 nan 0.000 0.480 493 S N 1.864 117.559 115.700 -0.008 0.000 2.571 493 S HA 0.826 5.295 4.470 -0.000 0.000 0.284 493 S C -0.820 173.696 174.600 -0.139 0.000 1.128 493 S CA -0.645 57.477 58.200 -0.132 0.000 0.970 493 S CB 1.070 64.121 63.200 -0.247 0.000 1.039 493 S HN 1.084 nan 8.310 nan 0.000 0.485 494 V N -0.871 118.938 119.914 -0.176 0.000 3.242 494 V HA 0.979 5.099 4.120 -0.000 0.000 0.298 494 V C 0.637 176.688 176.094 -0.072 0.000 1.352 494 V CA -0.542 61.732 62.300 -0.044 0.000 1.052 494 V CB 0.352 32.178 31.823 0.005 0.000 1.101 494 V HN 2.620 nan 8.190 nan 0.000 0.446 495 A N 1.899 124.750 122.820 0.050 0.000 5.896 495 A HA -0.104 4.215 4.320 -0.000 0.000 0.309 495 A C -1.564 175.924 177.584 -0.160 0.000 1.873 495 A CA 1.440 53.482 52.037 0.009 0.000 0.760 495 A CB -2.608 16.370 19.000 -0.037 0.000 1.279 495 A HN 1.418 nan 8.150 nan 0.000 0.399 496 P HA 0.245 nan 4.420 nan 0.000 0.236 496 P C -0.604 176.549 177.300 -0.245 0.000 1.749 496 P CA 0.445 63.333 63.100 -0.354 0.000 0.994 496 P CB -0.205 31.166 31.700 -0.548 0.000 1.599 497 Q N -0.277 119.375 119.800 -0.246 0.000 2.421 497 Q HA 0.424 4.764 4.340 -0.000 0.000 0.280 497 Q C -1.115 174.767 176.000 -0.196 0.000 1.085 497 Q CA -0.862 54.840 55.803 -0.168 0.000 0.807 497 Q CB 1.625 30.327 28.738 -0.059 0.000 1.405 497 Q HN 0.033 nan 8.270 nan 0.000 0.419 498 Y N -0.495 119.821 120.300 0.026 0.000 2.352 498 Y HA 0.326 4.876 4.550 -0.000 0.000 0.326 498 Y C 1.465 177.396 175.900 0.052 0.000 1.166 498 Y CA 0.047 58.182 58.100 0.059 0.000 1.182 498 Y CB 1.209 39.794 38.460 0.208 0.000 1.216 498 Y HN 0.945 nan 8.280 nan 0.000 0.474 499 G N 1.873 110.793 108.800 0.199 0.000 2.625 499 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.214 499 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.214 499 G C 0.163 175.138 174.900 0.124 0.000 1.132 499 G CA 0.242 45.411 45.100 0.115 0.000 0.782 499 G HN 0.507 nan 8.290 nan 0.000 0.538 500 M N 0.432 120.146 119.600 0.190 0.000 2.324 500 M HA 0.326 4.806 4.480 -0.000 0.000 0.288 500 M C 0.226 176.706 176.300 0.300 0.000 1.097 500 M CA -0.438 54.975 55.300 0.188 0.000 0.928 500 M CB 2.092 34.769 32.600 0.129 0.000 1.648 500 M HN 0.005 nan 8.290 nan 0.000 0.460 501 T N -1.027 113.665 114.554 0.229 0.000 3.132 501 T HA 0.361 4.711 4.350 -0.000 0.000 0.274 501 T C -0.433 174.323 174.700 0.092 0.000 1.011 501 T CA -0.279 61.921 62.100 0.168 0.000 0.899 501 T CB -0.047 68.862 68.868 0.067 0.000 1.089 501 T HN 0.672 nan 8.240 nan 0.000 0.543 502 D N 0.444 120.978 120.400 0.222 0.000 2.787 502 D HA 0.418 5.058 4.640 -0.000 0.000 0.215 502 D C -1.702 174.776 176.300 0.295 0.000 1.246 502 D CA -0.513 53.570 54.000 0.139 0.000 0.798 502 D CB 1.960 42.763 40.800 0.006 0.000 1.649 502 D HN 0.249 nan 8.370 nan 0.000 0.507 503 F N 0.111 120.102 119.950 0.068 0.000 2.678 503 F HA 0.601 5.128 4.527 -0.000 0.000 0.308 503 F C -1.495 174.327 175.800 0.037 0.000 1.118 503 F CA -0.903 57.123 58.000 0.043 0.000 0.959 503 F CB 1.232 40.253 39.000 0.034 0.000 1.305 503 F HN -0.007 nan 8.300 nan 0.000 0.443 504 K N 2.386 122.880 120.400 0.157 0.000 2.207 504 K HA 0.838 5.158 4.320 -0.000 0.000 0.255 504 K C -1.179 175.499 176.600 0.130 0.000 0.941 504 K CA -1.057 55.261 56.287 0.051 0.000 0.825 504 K CB 2.696 35.217 32.500 0.035 0.000 1.119 504 K HN 0.765 nan 8.250 nan 0.000 0.430 505 V N -1.525 118.437 119.914 0.080 0.000 3.206 505 V HA 0.538 4.658 4.120 -0.000 0.000 0.305 505 V C -1.313 174.820 176.094 0.066 0.000 1.257 505 V CA -1.254 61.105 62.300 0.097 0.000 1.057 505 V CB 1.860 33.764 31.823 0.136 0.000 1.075 505 V HN 0.621 nan 8.190 nan 0.000 0.443 506 K N 1.042 121.477 120.400 0.058 0.000 2.138 506 K HA 0.418 4.738 4.320 -0.000 0.000 0.263 506 K C -0.148 176.489 176.600 0.062 0.000 0.965 506 K CA -0.496 55.822 56.287 0.052 0.000 0.868 506 K CB 1.845 34.367 32.500 0.037 0.000 1.083 506 K HN 0.957 nan 8.250 nan 0.000 0.443 507 E N 0.874 121.116 120.200 0.070 0.000 2.608 507 E HA -0.159 4.191 4.350 -0.000 0.000 0.259 507 E C 0.592 177.228 176.600 0.060 0.000 0.951 507 E CA 1.224 57.672 56.400 0.080 0.000 0.945 507 E CB 0.034 29.779 29.700 0.076 0.000 0.916 507 E HN 0.796 nan 8.360 nan 0.000 0.477 508 G N 3.884 112.722 108.800 0.064 0.000 2.217 508 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 508 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 508 G C -0.113 174.804 174.900 0.028 0.000 0.990 508 G CA 0.152 45.277 45.100 0.043 0.000 0.627 508 G HN 0.676 nan 8.290 nan 0.000 0.522 509 D N 0.951 121.368 120.400 0.029 0.000 2.423 509 D HA 0.350 4.990 4.640 -0.000 0.000 0.238 509 D C 0.588 176.867 176.300 -0.035 0.000 1.142 509 D CA 0.219 54.220 54.000 0.000 0.000 0.884 509 D CB 0.783 41.587 40.800 0.008 0.000 1.199 509 D HN 0.481 nan 8.370 nan 0.000 0.438 510 E N 1.681 121.840 120.200 -0.069 0.000 2.001 510 E HA 0.253 4.603 4.350 -0.000 0.000 0.279 510 E C -1.092 175.373 176.600 -0.224 0.000 1.045 510 E CA -0.592 55.732 56.400 -0.126 0.000 0.833 510 E CB 0.490 30.133 29.700 -0.096 0.000 1.077 510 E HN 0.071 nan 8.360 nan 0.000 0.397 511 V N 4.319 123.987 119.914 -0.409 0.000 2.432 511 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 511 V C 0.195 175.827 176.094 -0.770 0.000 1.043 511 V CA -0.413 61.532 62.300 -0.592 0.000 0.925 511 V CB 1.579 32.945 31.823 -0.760 0.000 0.985 511 V HN 0.644 nan 8.190 nan 0.000 0.466 512 T N 4.362 118.599 114.554 -0.528 0.000 2.824 512 T HA 0.586 4.936 4.350 -0.000 0.000 0.282 512 T C -0.482 173.882 174.700 -0.560 0.000 0.993 512 T CA -0.395 61.388 62.100 -0.527 0.000 0.967 512 T CB 1.730 70.351 68.868 -0.411 0.000 0.960 512 T HN 0.345 nan 8.240 nan 0.000 0.441 513 V N 3.957 123.504 119.914 -0.613 0.000 2.448 513 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 513 V C -1.293 174.337 176.094 -0.773 0.000 1.025 513 V CA -0.879 61.020 62.300 -0.668 0.000 0.859 513 V CB 1.061 32.418 31.823 -0.778 0.000 0.988 513 V HN 0.815 nan 8.190 nan 0.000 0.431 514 Y N 4.855 124.777 120.300 -0.630 0.000 2.334 514 Y HA 0.590 5.140 4.550 -0.000 0.000 0.336 514 Y C 0.037 175.701 175.900 -0.394 0.000 0.960 514 Y CA -0.950 56.862 58.100 -0.480 0.000 1.164 514 Y CB 1.356 39.525 38.460 -0.486 0.000 1.155 514 Y HN 0.343 nan 8.280 nan 0.000 0.478 515 I N 3.567 123.993 120.570 -0.241 0.000 2.378 515 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 515 I C -0.144 175.898 176.117 -0.125 0.000 0.992 515 I CA -0.548 60.650 61.300 -0.169 0.000 1.154 515 I CB 1.597 39.511 38.000 -0.145 0.000 1.315 515 I HN 0.531 nan 8.210 nan 0.000 0.448 516 T N 5.129 119.635 114.554 -0.080 0.000 2.770 516 T HA 0.223 4.573 4.350 -0.000 0.000 0.283 516 T C 0.165 174.830 174.700 -0.058 0.000 0.988 516 T CA -0.550 61.480 62.100 -0.116 0.000 0.957 516 T CB 0.913 69.725 68.868 -0.095 0.000 0.930 516 T HN 0.404 nan 8.240 nan 0.000 0.443 517 N N 3.631 122.295 118.700 -0.059 0.000 2.415 517 N HA 0.197 4.937 4.740 -0.000 0.000 0.246 517 N C 0.788 176.318 175.510 0.033 0.000 1.078 517 N CA -0.516 52.552 53.050 0.031 0.000 0.942 517 N CB 0.327 38.858 38.487 0.074 0.000 1.140 517 N HN 0.551 nan 8.380 nan 0.000 0.501 518 L N 0.865 122.113 121.223 0.041 0.000 2.418 518 L HA 0.125 4.465 4.340 -0.000 0.000 0.218 518 L C 0.301 177.208 176.870 0.062 0.000 1.125 518 L CA 0.225 55.089 54.840 0.040 0.000 0.835 518 L CB -0.225 41.850 42.059 0.026 0.000 0.953 518 L HN 0.399 nan 8.230 nan 0.000 0.454 519 D N 0.599 121.057 120.400 0.096 0.000 2.449 519 D HA 0.025 4.665 4.640 -0.000 0.000 0.236 519 D C 0.778 177.117 176.300 0.064 0.000 1.149 519 D CA 0.765 54.821 54.000 0.092 0.000 0.878 519 D CB 1.341 42.217 40.800 0.125 0.000 1.198 519 D HN 0.132 nan 8.370 nan 0.000 0.446 520 M N 0.862 120.493 119.600 0.052 0.000 2.340 520 M HA 0.098 4.578 4.480 -0.000 0.000 0.345 520 M C -0.360 175.958 176.300 0.031 0.000 1.008 520 M CA -0.141 55.185 55.300 0.044 0.000 0.987 520 M CB 1.184 33.810 32.600 0.042 0.000 1.598 520 M HN -0.011 nan 8.290 nan 0.000 0.569 521 V N 2.067 121.998 119.914 0.029 0.000 2.583 521 V HA 0.262 4.382 4.120 -0.000 0.000 0.287 521 V C 0.767 176.864 176.094 0.006 0.000 1.051 521 V CA -0.338 61.973 62.300 0.018 0.000 1.010 521 V CB 0.801 32.638 31.823 0.023 0.000 0.988 521 V HN 0.508 nan 8.190 nan 0.000 0.478 522 E N 2.647 122.848 120.200 0.002 0.000 2.442 522 E HA 0.124 4.474 4.350 -0.000 0.000 0.262 522 E C 0.835 177.428 176.600 -0.011 0.000 1.004 522 E CA 0.435 56.831 56.400 -0.007 0.000 0.928 522 E CB -0.082 nan 29.700 nan 0.000 0.937 522 E HN 0.947 nan 8.360 nan 0.000 0.446 523 D N 0.035 120.422 120.400 -0.021 0.000 3.028 523 D HA -0.161 4.479 4.640 -0.000 0.000 0.207 523 D C -0.136 176.136 176.300 -0.047 0.000 1.100 523 D CA 1.288 55.275 54.000 -0.023 0.000 0.995 523 D CB -1.360 39.441 40.800 0.001 0.000 1.108 523 D HN 0.494 nan 8.370 nan 0.000 0.421 524 V N 1.932 121.803 119.914 -0.073 0.000 2.162 524 V HA 0.249 4.369 4.120 -0.000 0.000 0.255 524 V C 0.764 176.685 176.094 -0.289 0.000 1.304 524 V CA 0.189 62.406 62.300 -0.139 0.000 1.198 524 V CB 0.790 32.563 31.823 -0.084 0.000 1.333 524 V HN 0.067 nan 8.190 nan 0.000 0.493 525 T N 3.723 118.082 114.554 -0.324 0.000 2.882 525 T HA 0.491 4.841 4.350 -0.000 0.000 0.287 525 T C -0.220 174.187 174.700 -0.489 0.000 0.992 525 T CA -0.221 61.593 62.100 -0.476 0.000 1.076 525 T CB 0.951 69.366 68.868 -0.754 0.000 0.961 525 T HN 0.541 nan 8.240 nan 0.000 0.490 526 H N -0.149 118.848 119.070 -0.121 0.000 2.754 526 H HA 0.760 5.316 4.556 -0.000 0.000 0.352 526 H C 0.350 175.797 175.328 0.200 0.000 1.213 526 H CA -0.638 55.469 56.048 0.099 0.000 1.244 526 H CB 1.907 31.703 29.762 0.056 0.000 1.843 526 H HN 0.841 nan 8.280 nan 0.000 0.587 527 G N -0.391 108.748 108.800 0.567 0.000 2.766 527 G HA2 0.481 4.441 3.960 -0.000 0.000 0.288 527 G HA3 0.481 4.441 3.960 -0.000 0.000 0.288 527 G C -2.086 173.136 174.900 0.537 0.000 1.408 527 G CA -0.512 44.942 45.100 0.590 0.000 0.852 527 G HN 0.347 nan 8.290 nan 0.000 0.487 528 F N -0.058 120.026 119.950 0.224 0.000 2.573 528 F HA 0.610 5.137 4.527 -0.000 0.000 0.316 528 F C -0.989 174.784 175.800 -0.044 0.000 1.148 528 F CA -1.276 56.791 58.000 0.112 0.000 0.940 528 F CB 1.845 40.871 39.000 0.044 0.000 1.214 528 F HN 0.628 nan 8.300 nan 0.000 0.448 529 C N 8.436 127.206 119.300 -0.883 0.000 2.505 529 C HA 0.665 5.125 4.460 -0.000 0.000 0.342 529 C C -0.997 173.531 174.990 -0.771 0.000 1.121 529 C CA -0.724 57.834 59.018 -0.766 0.000 1.306 529 C CB 0.249 27.527 27.740 -0.770 0.000 1.897 529 C HN 0.899 nan 8.230 nan 0.000 0.446 530 M N 6.890 126.112 119.600 -0.631 0.000 2.077 530 M HA 0.442 4.922 4.480 -0.000 0.000 0.348 530 M C -0.209 175.999 176.300 -0.153 0.000 1.252 530 M CA -0.100 54.950 55.300 -0.417 0.000 1.096 530 M CB 0.777 32.978 32.600 -0.664 0.000 1.568 530 M HN 0.555 nan 8.290 nan 0.000 0.456 531 V N 7.529 127.485 119.914 0.069 0.000 2.644 531 V HA -0.043 4.077 4.120 -0.000 0.000 0.305 531 V C 0.729 176.962 176.094 0.230 0.000 1.053 531 V CA 0.422 62.834 62.300 0.187 0.000 1.186 531 V CB -0.480 31.505 31.823 0.271 0.000 0.895 531 V HN 1.064 nan 8.190 nan 0.000 0.490 532 N N 2.509 121.285 118.700 0.127 0.000 2.741 532 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 532 N C 0.217 175.616 175.510 -0.185 0.000 1.112 532 N CA 1.426 54.497 53.050 0.034 0.000 0.750 532 N CB -1.389 37.173 38.487 0.125 0.000 1.119 532 N HN 0.950 nan 8.380 nan 0.000 0.561 533 H N -1.299 117.649 119.070 -0.204 0.000 3.078 533 H HA 0.413 4.969 4.556 -0.000 0.000 0.263 533 H C 1.340 176.544 175.328 -0.207 0.000 1.177 533 H CA 0.384 56.256 56.048 -0.293 0.000 1.128 533 H CB 0.496 29.892 29.762 -0.612 0.000 1.623 533 H HN 0.315 nan 8.280 nan 0.000 0.592 534 G N 1.270 110.032 108.800 -0.063 0.000 2.366 534 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.299 534 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.299 534 G C -0.415 174.472 174.900 -0.023 0.000 1.020 534 G CA 0.685 45.765 45.100 -0.032 0.000 1.026 534 G HN 0.262 nan 8.290 nan 0.000 0.512 535 V N -0.385 119.491 119.914 -0.063 0.000 2.656 535 V HA 0.891 5.011 4.120 -0.000 0.000 0.307 535 V C 0.075 176.148 176.094 -0.035 0.000 1.051 535 V CA 0.056 62.335 62.300 -0.035 0.000 0.893 535 V CB 2.219 33.987 31.823 -0.092 0.000 0.999 535 V HN 0.987 nan 8.190 nan 0.000 0.426 536 S N 5.781 121.507 115.700 0.044 0.000 2.542 536 S HA 0.877 5.346 4.470 -0.000 0.000 0.276 536 S C -1.144 173.550 174.600 0.157 0.000 1.148 536 S CA -0.594 57.647 58.200 0.068 0.000 0.886 536 S CB 1.544 64.767 63.200 0.038 0.000 1.109 536 S HN 0.980 nan 8.310 nan 0.000 0.458 537 M N 2.092 121.831 119.600 0.232 0.000 2.603 537 M HA 0.602 5.082 4.480 -0.000 0.000 0.275 537 M C -1.317 175.182 176.300 0.331 0.000 1.226 537 M CA -0.727 54.720 55.300 0.244 0.000 0.870 537 M CB 1.766 34.450 32.600 0.140 0.000 1.716 537 M HN 0.605 nan 8.290 nan 0.000 0.482 538 E N 1.890 122.241 120.200 0.252 0.000 2.277 538 E HA 0.638 4.988 4.350 -0.000 0.000 0.274 538 E C -1.596 174.951 176.600 -0.089 0.000 1.022 538 E CA -0.654 55.764 56.400 0.029 0.000 0.853 538 E CB 1.302 30.944 29.700 -0.096 0.000 1.086 538 E HN 0.764 nan 8.360 nan 0.000 0.397 539 I N 3.041 123.504 120.570 -0.179 0.000 2.714 539 I HA 0.131 4.301 4.170 -0.000 0.000 0.274 539 I C -0.190 175.829 176.117 -0.163 0.000 1.261 539 I CA -0.281 60.934 61.300 -0.143 0.000 1.008 539 I CB 1.461 39.440 38.000 -0.034 0.000 1.289 539 I HN 0.285 nan 8.210 nan 0.000 0.529 540 S N 4.142 119.748 115.700 -0.157 0.000 2.626 540 S HA 0.338 4.808 4.470 -0.000 0.000 0.257 540 S C -2.313 172.309 174.600 0.036 0.000 1.288 540 S CA -0.789 57.365 58.200 -0.076 0.000 0.980 540 S CB 0.351 63.606 63.200 0.091 0.000 0.975 540 S HN 0.257 nan 8.310 nan 0.000 0.577 541 P HA -0.000 nan 4.420 nan 0.000 0.256 541 P C -0.323 177.088 177.300 0.185 0.000 1.173 541 P CA 0.850 64.007 63.100 0.096 0.000 0.768 541 P CB 0.067 31.804 31.700 0.062 0.000 0.758 542 Q N -1.000 118.861 119.800 0.102 0.000 2.489 542 Q HA -0.258 4.082 4.340 -0.000 0.000 0.259 542 Q C 0.041 176.046 176.000 0.008 0.000 0.934 542 Q CA 1.208 57.068 55.803 0.095 0.000 1.131 542 Q CB -1.616 27.226 28.738 0.172 0.000 1.472 542 Q HN 0.665 nan 8.270 nan 0.000 0.560 543 Q N -0.227 119.460 119.800 -0.189 0.000 2.215 543 Q HA 0.542 4.882 4.340 -0.000 0.000 0.256 543 Q C -0.824 174.698 176.000 -0.798 0.000 0.972 543 Q CA -0.210 55.184 55.803 -0.682 0.000 0.889 543 Q CB 1.438 29.745 28.738 -0.718 0.000 1.281 543 Q HN 0.048 nan 8.270 nan 0.000 0.456 544 T N 1.507 115.267 114.554 -1.324 0.000 2.840 544 T HA 0.723 5.073 4.350 -0.000 0.000 0.287 544 T C -1.456 172.895 174.700 -0.582 0.000 0.991 544 T CA -0.443 61.184 62.100 -0.789 0.000 0.964 544 T CB 1.354 69.807 68.868 -0.692 0.000 0.954 544 T HN 0.654 nan 8.240 nan 0.000 0.438 545 A N 2.605 125.205 122.820 -0.367 0.000 2.413 545 A HA 0.958 5.278 4.320 -0.000 0.000 0.307 545 A C -0.271 177.122 177.584 -0.318 0.000 1.087 545 A CA -0.825 51.023 52.037 -0.314 0.000 0.750 545 A CB 1.492 20.339 19.000 -0.255 0.000 1.296 545 A HN 0.920 nan 8.150 nan 0.000 0.423 546 S N -0.324 115.159 115.700 -0.363 0.000 2.546 546 S HA 0.762 5.231 4.470 -0.000 0.000 0.274 546 S C -1.325 173.037 174.600 -0.398 0.000 1.121 546 S CA -0.600 57.256 58.200 -0.574 0.000 0.887 546 S CB 1.389 63.962 63.200 -1.045 0.000 1.094 546 S HN 2.016 nan 8.310 nan 0.000 0.474 547 V N 2.110 121.803 119.914 -0.369 0.000 2.808 547 V HA 0.859 4.979 4.120 -0.000 0.000 0.308 547 V C -0.563 175.434 176.094 -0.161 0.000 1.099 547 V CA 0.296 62.503 62.300 -0.155 0.000 0.920 547 V CB 2.128 33.978 31.823 0.044 0.000 1.014 547 V HN 1.426 nan 8.190 nan 0.000 0.425 548 T N 4.250 118.733 114.554 -0.119 0.000 2.856 548 T HA 0.887 5.237 4.350 -0.000 0.000 0.283 548 T C -0.870 173.820 174.700 -0.018 0.000 1.008 548 T CA -0.411 61.559 62.100 -0.217 0.000 0.997 548 T CB 1.498 70.228 68.868 -0.231 0.000 0.992 548 T HN 1.229 nan 8.240 nan 0.000 0.454 549 F N -1.081 118.847 119.950 -0.037 0.000 2.745 549 F HA 0.759 5.286 4.527 -0.000 0.000 0.316 549 F C -0.849 174.966 175.800 0.024 0.000 1.155 549 F CA -1.242 56.764 58.000 0.010 0.000 0.937 549 F CB 0.878 39.914 39.000 0.060 0.000 1.361 549 F HN 0.498 nan 8.300 nan 0.000 0.472 550 T N 1.788 116.519 114.554 0.294 0.000 2.767 550 T HA 0.676 5.026 4.350 -0.000 0.000 0.284 550 T C -0.001 174.899 174.700 0.332 0.000 0.973 550 T CA -0.313 61.892 62.100 0.176 0.000 0.996 550 T CB 1.130 70.054 68.868 0.093 0.000 0.927 550 T HN 0.919 nan 8.240 nan 0.000 0.456 551 A N 3.266 126.242 122.820 0.260 0.000 2.520 551 A HA 0.559 4.879 4.320 -0.000 0.000 0.245 551 A C 1.134 178.846 177.584 0.212 0.000 1.072 551 A CA -0.103 52.120 52.037 0.309 0.000 0.761 551 A CB -0.170 18.941 19.000 0.185 0.000 1.004 551 A HN 0.955 nan 8.150 nan 0.000 0.499 552 G N 1.616 110.534 108.800 0.196 0.000 2.468 552 G HA2 0.388 4.348 3.960 -0.000 0.000 0.264 552 G HA3 0.388 4.348 3.960 -0.000 0.000 0.264 552 G C 0.243 175.220 174.900 0.128 0.000 1.460 552 G CA -0.301 44.797 45.100 -0.005 0.000 1.060 552 G HN 1.043 nan 8.290 nan 0.000 0.543 553 K N 0.875 121.366 120.400 0.151 0.000 2.414 553 K HA 0.192 4.512 4.320 -0.000 0.000 0.272 553 K C -2.382 174.370 176.600 0.254 0.000 0.993 553 K CA -1.035 55.351 56.287 0.166 0.000 0.964 553 K CB 0.403 32.978 32.500 0.125 0.000 0.925 553 K HN 0.188 nan 8.250 nan 0.000 0.487 554 P HA -0.023 nan 4.420 nan 0.000 0.263 554 P C 0.130 177.483 177.300 0.087 0.000 1.175 554 P CA 0.562 63.744 63.100 0.136 0.000 0.761 554 P CB 0.633 32.376 31.700 0.071 0.000 0.794 555 G N 0.889 109.709 108.800 0.033 0.000 2.356 555 G HA2 0.194 4.153 3.960 -0.000 0.000 0.288 555 G HA3 0.194 4.153 3.960 -0.000 0.000 0.288 555 G C -1.631 173.100 174.900 -0.281 0.000 1.302 555 G CA -0.723 44.284 45.100 -0.155 0.000 0.887 555 G HN 0.387 nan 8.290 nan 0.000 0.521 556 V N 0.591 120.269 119.914 -0.394 0.000 2.465 556 V HA 0.612 4.732 4.120 -0.000 0.000 0.279 556 V C -0.966 174.812 176.094 -0.527 0.000 1.045 556 V CA -0.203 61.886 62.300 -0.352 0.000 0.938 556 V CB 0.739 32.427 31.823 -0.225 0.000 0.986 556 V HN 0.561 nan 8.190 nan 0.000 0.467 557 Y N 2.668 122.943 120.300 -0.041 0.000 2.329 557 Y HA 0.461 5.011 4.550 0.000 0.000 0.328 557 Y C -0.337 175.577 175.900 0.024 0.000 0.992 557 Y CA -0.801 57.331 58.100 0.054 0.000 1.151 557 Y CB 1.206 39.685 38.460 0.031 0.000 1.150 557 Y HN 0.609 nan 8.280 nan 0.000 0.450 558 W N 3.817 125.152 121.300 0.059 0.000 2.215 558 W HA 0.439 5.099 4.660 -0.000 0.000 0.342 558 W C -0.568 175.990 176.519 0.065 0.000 1.237 558 W CA -0.436 56.894 57.345 -0.026 0.000 1.283 558 W CB 0.428 29.851 29.460 -0.062 0.000 1.131 558 W HN 0.444 nan 8.180 nan 0.000 0.606 559 Y N 1.015 121.455 120.300 0.234 0.000 2.477 559 Y HA 0.713 5.263 4.550 -0.000 0.000 0.347 559 Y C -1.072 174.923 175.900 0.159 0.000 0.981 559 Y CA -2.501 55.580 58.100 -0.032 0.000 1.033 559 Y CB 0.801 39.081 38.460 -0.301 0.000 1.245 559 Y HN 0.480 nan 8.280 nan 0.000 0.455 560 Y N 0.351 120.707 120.300 0.092 0.000 2.625 560 Y HA 0.625 5.175 4.550 -0.000 0.000 0.338 560 Y C -1.055 175.015 175.900 0.284 0.000 1.123 560 Y CA -2.576 55.649 58.100 0.208 0.000 1.046 560 Y CB 0.556 39.042 38.460 0.044 0.000 1.299 560 Y HN 1.073 nan 8.280 nan 0.000 0.464 561 C N 3.100 122.642 119.300 0.403 0.000 2.585 561 C HA 0.337 4.797 4.460 -0.000 0.000 0.406 561 C C 0.802 176.002 174.990 0.350 0.000 1.312 561 C CA 0.319 59.559 59.018 0.370 0.000 1.924 561 C CB -1.280 26.654 27.740 0.322 0.000 2.578 561 C HN 1.033 nan 8.230 nan 0.000 0.580 562 N N 3.510 122.383 118.700 0.289 0.000 2.214 562 N HA 0.072 4.812 4.740 -0.000 0.000 0.214 562 N C -0.384 175.271 175.510 0.242 0.000 1.132 562 N CA -0.420 52.791 53.050 0.268 0.000 0.856 562 N CB 0.303 38.798 38.487 0.014 0.000 1.020 562 N HN 0.732 nan 8.380 nan 0.000 0.509 563 W N 1.577 123.059 121.300 0.303 0.000 2.296 563 W HA 0.376 5.036 4.660 -0.000 0.000 0.316 563 W C -0.750 175.732 176.519 -0.062 0.000 1.022 563 W CA -1.324 56.107 57.345 0.143 0.000 1.324 563 W CB 0.525 30.056 29.460 0.118 0.000 1.227 563 W HN -0.093 nan 8.180 nan 0.000 0.409 564 F N 4.547 124.303 119.950 -0.323 0.000 2.569 564 F HA -0.126 4.401 4.527 -0.000 0.000 0.395 564 F C 1.403 177.083 175.800 -0.199 0.000 1.028 564 F CA 1.073 58.605 58.000 -0.781 0.000 1.158 564 F CB 0.489 39.234 39.000 -0.425 0.000 1.023 564 F HN 0.372 nan 8.300 nan 0.000 0.547 565 C N 3.465 122.762 119.300 -0.004 0.000 3.931 565 C HA 0.413 4.873 4.460 -0.000 0.000 0.378 565 C C 0.000 175.161 174.990 0.285 0.000 1.554 565 C CA -0.268 58.847 59.018 0.161 0.000 1.926 565 C CB -0.854 26.972 27.740 0.143 0.000 2.837 565 C HN 0.821 nan 8.230 nan 0.000 0.701 566 H N -0.816 118.353 119.070 0.165 0.000 2.987 566 H HA 0.455 5.011 4.556 -0.000 0.000 0.316 566 H C 0.545 176.000 175.328 0.212 0.000 1.380 566 H CA 0.417 56.568 56.048 0.172 0.000 1.160 566 H CB 1.669 31.517 29.762 0.143 0.000 1.865 566 H HN -0.035 nan 8.280 nan 0.000 0.521 567 A N 1.933 124.902 122.820 0.248 0.000 2.070 567 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 567 A C 1.584 179.383 177.584 0.358 0.000 1.159 567 A CA 1.146 53.360 52.037 0.296 0.000 0.656 567 A CB -0.311 18.758 19.000 0.115 0.000 0.800 567 A HN 0.427 nan 8.150 nan 0.000 0.453 568 L N -1.034 120.501 121.223 0.520 0.000 2.848 568 L HA 0.141 4.481 4.340 -0.000 0.000 0.240 568 L C 1.614 178.520 176.870 0.061 0.000 1.232 568 L CA -0.129 54.825 54.840 0.190 0.000 1.031 568 L CB -0.323 41.776 42.059 0.068 0.000 1.338 568 L HN 0.535 nan 8.230 nan 0.000 0.509 569 H N 1.077 120.101 119.070 -0.077 0.000 2.319 569 H HA -0.216 4.340 4.556 -0.000 0.000 0.297 569 H C 2.159 177.366 175.328 -0.202 0.000 1.097 569 H CA 2.025 57.913 56.048 -0.266 0.000 1.285 569 H CB 0.290 29.531 29.762 -0.869 0.000 1.368 569 H HN 0.121 nan 8.280 nan 0.000 0.495 570 M N 0.304 119.726 119.600 -0.298 0.000 2.260 570 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 570 M C 1.412 177.590 176.300 -0.204 0.000 1.066 570 M CA 1.395 56.521 55.300 -0.289 0.000 1.082 570 M CB -0.708 31.814 32.600 -0.130 0.000 1.388 570 M HN 0.372 nan 8.290 nan 0.000 0.419 571 E N -0.561 119.567 120.200 -0.121 0.000 2.474 571 E HA 0.124 4.474 4.350 -0.000 0.000 0.194 571 E C 0.701 177.290 176.600 -0.017 0.000 1.041 571 E CA -0.033 56.336 56.400 -0.052 0.000 0.874 571 E CB -0.136 29.551 29.700 -0.023 0.000 0.914 571 E HN 0.369 nan 8.360 nan 0.000 0.498 572 M N 2.098 121.664 119.600 -0.056 0.000 2.821 572 M HA 0.102 4.582 4.480 -0.000 0.000 0.305 572 M C -0.591 175.835 176.300 0.210 0.000 1.466 572 M CA -0.210 55.087 55.300 -0.004 0.000 1.526 572 M CB -0.288 32.248 32.600 -0.108 0.000 1.321 572 M HN -0.053 nan 8.290 nan 0.000 0.492 573 V N 1.065 121.133 119.914 0.256 0.000 3.105 573 V HA 1.136 5.256 4.120 -0.000 0.000 0.311 573 V C -0.259 175.851 176.094 0.026 0.000 1.287 573 V CA -0.301 62.155 62.300 0.260 0.000 1.066 573 V CB 1.526 33.535 31.823 0.311 0.000 1.105 573 V HN 0.664 nan 8.190 nan 0.000 0.462 574 G N -0.008 108.490 108.800 -0.503 0.000 2.466 574 G HA2 0.661 4.621 3.960 -0.000 0.000 0.291 574 G HA3 0.661 4.621 3.960 -0.000 0.000 0.291 574 G C -1.938 172.194 174.900 -1.279 0.000 1.460 574 G CA -1.152 43.310 45.100 -1.063 0.000 0.791 574 G HN 0.850 nan 8.290 nan 0.000 0.505 575 R N -0.284 119.711 120.500 -0.841 0.000 2.621 575 R HA 0.638 4.978 4.340 -0.000 0.000 0.292 575 R C -0.366 175.739 176.300 -0.324 0.000 0.969 575 R CA -0.758 54.943 56.100 -0.665 0.000 0.887 575 R CB 2.562 32.360 30.300 -0.835 0.000 1.180 575 R HN 0.563 nan 8.270 nan 0.000 0.450 576 M N 4.516 123.939 119.600 -0.295 0.000 2.149 576 M HA 0.395 4.875 4.480 -0.000 0.000 0.342 576 M C -1.518 174.600 176.300 -0.303 0.000 1.068 576 M CA -0.547 54.412 55.300 -0.569 0.000 0.991 576 M CB 0.811 33.125 32.600 -0.477 0.000 1.596 576 M HN 0.478 nan 8.290 nan 0.000 0.439 577 L N 6.335 127.374 121.223 -0.305 0.000 2.265 577 L HA 0.505 4.845 4.340 -0.000 0.000 0.289 577 L C -0.937 175.900 176.870 -0.055 0.000 1.033 577 L CA -0.920 53.832 54.840 -0.146 0.000 0.814 577 L CB 1.290 43.270 42.059 -0.132 0.000 1.203 577 L HN 0.463 nan 8.230 nan 0.000 0.423 578 V N 3.487 123.426 119.914 0.041 0.000 2.347 578 V HA 0.271 4.391 4.120 -0.000 0.000 0.280 578 V C 0.173 176.311 176.094 0.072 0.000 1.021 578 V CA -0.668 61.692 62.300 0.100 0.000 0.847 578 V CB 1.458 33.423 31.823 0.237 0.000 0.990 578 V HN 0.815 nan 8.190 nan 0.000 0.444 579 E N 4.004 124.235 120.200 0.051 0.000 2.232 579 E HA 0.803 5.153 4.350 -0.000 0.000 0.264 579 E C -0.210 176.416 176.600 0.043 0.000 0.973 579 E CA -1.007 55.415 56.400 0.036 0.000 0.849 579 E CB 1.893 31.606 29.700 0.021 0.000 1.198 579 E HN 0.640 nan 8.360 nan 0.000 0.407 580 A N 1.388 124.229 122.820 0.034 0.000 2.524 580 A HA 0.413 4.733 4.320 -0.000 0.000 0.250 580 A C 0.504 178.105 177.584 0.028 0.000 1.078 580 A CA 0.284 52.341 52.037 0.033 0.000 0.761 580 A CB -0.162 18.852 19.000 0.025 0.000 1.012 580 A HN 0.749 nan 8.150 nan 0.000 0.500 581 A N 0.000 122.838 122.820 0.030 0.000 2.254 581 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 581 A CA 0.000 52.052 52.037 0.025 0.000 0.836 581 A CB 0.000 19.015 19.000 0.025 0.000 0.831 581 A HN 0.000 nan 8.150 nan 0.000 0.486