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 1gl0_1_E DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYTNAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.121 174.090 0.052 0.000 1.270 1 c CA 0.000 56.353 56.329 0.040 0.000 1.963 1 c CB 0.000 42.514 42.510 0.006 0.000 2.134 2 G N -0.012 108.810 108.800 0.036 0.000 2.283 2 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.280 2 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.280 2 G C -0.269 174.859 174.900 0.381 0.000 1.029 2 G CA 0.499 45.664 45.100 0.109 0.000 0.840 2 G HN 2.007 nan 8.290 nan 0.000 0.505 3 V N 1.905 122.032 119.914 0.354 0.000 2.454 3 V HA 0.331 4.450 4.120 -0.001 0.000 0.267 3 V C -1.496 174.720 176.094 0.204 0.000 0.993 3 V CA -1.247 61.219 62.300 0.277 0.000 0.836 3 V CB 1.787 33.698 31.823 0.147 0.000 1.055 3 V HN 0.336 nan 8.190 nan 0.000 0.452 4 P HA 0.212 nan 4.420 nan 0.000 0.271 4 P C 0.724 177.988 177.300 -0.061 0.000 1.216 4 P CA -0.050 63.022 63.100 -0.047 0.000 0.776 4 P CB 1.913 33.447 31.700 -0.277 0.000 0.881 5 A N 4.011 126.779 122.820 -0.086 0.000 2.014 5 A HA 0.015 4.334 4.320 -0.001 0.000 0.218 5 A C 1.310 178.831 177.584 -0.105 0.000 1.163 5 A CA 0.760 52.755 52.037 -0.070 0.000 0.652 5 A CB -0.529 18.435 19.000 -0.061 0.000 0.808 5 A HN 0.592 nan 8.150 nan 0.000 0.449 6 I N 1.534 122.003 120.570 -0.169 0.000 2.347 6 I HA 0.128 4.298 4.170 -0.001 0.000 0.283 6 I C -0.673 175.284 176.117 -0.268 0.000 1.058 6 I CA -0.720 60.457 61.300 -0.205 0.000 1.202 6 I CB 1.091 38.947 38.000 -0.240 0.000 1.386 6 I HN 0.141 nan 8.210 nan 0.000 0.475 7 Q N 7.718 127.399 119.800 -0.198 0.000 2.247 7 Q HA 0.112 4.452 4.340 -0.001 0.000 0.288 7 Q C -2.092 173.723 176.000 -0.309 0.000 1.079 7 Q CA -1.304 54.377 55.803 -0.203 0.000 0.932 7 Q CB 0.069 28.750 28.738 -0.096 0.000 1.133 7 Q HN 0.366 nan 8.270 nan 0.000 0.377 8 P HA 0.110 nan 4.420 nan 0.000 0.276 8 P C -0.615 176.516 177.300 -0.282 0.000 1.235 8 P CA -0.203 62.520 63.100 -0.628 0.000 0.772 8 P CB 0.865 31.726 31.700 -1.398 0.000 0.871 9 V N 5.181 124.981 119.914 -0.189 0.000 2.394 9 V HA 0.284 4.404 4.120 -0.001 0.000 0.282 9 V C 0.444 176.540 176.094 0.004 0.000 1.031 9 V CA -0.443 61.818 62.300 -0.066 0.000 0.881 9 V CB 1.002 32.787 31.823 -0.062 0.000 0.982 9 V HN 0.405 nan 8.190 nan 0.000 0.451 10 L N 4.874 126.131 121.223 0.058 0.000 2.356 10 L HA 0.559 4.899 4.340 -0.001 0.000 0.277 10 L C 0.596 177.509 176.870 0.071 0.000 0.996 10 L CA 0.093 54.990 54.840 0.096 0.000 0.822 10 L CB 2.265 44.423 42.059 0.167 0.000 1.256 10 L HN 0.803 nan 8.230 nan 0.000 0.413 17 V N 6.319 126.250 119.914 0.027 0.000 2.521 17 V HA 0.155 4.274 4.120 -0.001 0.000 0.286 17 V C 0.865 176.972 176.094 0.022 0.000 1.034 17 V CA 0.478 62.799 62.300 0.035 0.000 1.045 17 V CB 0.670 32.521 31.823 0.046 0.000 0.974 17 V HN 0.977 nan 8.190 nan 0.000 0.480 18 N N 2.718 121.431 118.700 0.022 0.000 2.818 18 N HA -0.141 4.598 4.740 -0.001 0.000 0.250 18 N C 0.586 176.102 175.510 0.009 0.000 1.108 18 N CA 1.076 54.136 53.050 0.017 0.000 0.745 18 N CB -1.079 37.419 38.487 0.018 0.000 1.104 18 N HN 0.941 nan 8.380 nan 0.000 0.557 19 G N -0.098 108.703 108.800 0.002 0.000 2.580 19 G HA2 0.514 4.474 3.960 -0.001 0.000 0.225 19 G HA3 0.514 4.474 3.960 -0.001 0.000 0.225 19 G C -0.172 174.729 174.900 0.001 0.000 1.521 19 G CA 0.454 45.549 45.100 -0.009 0.000 1.068 19 G HN 0.474 nan 8.290 nan 0.000 0.564 20 E N -1.535 118.664 120.200 -0.001 0.000 2.388 20 E HA 0.219 4.569 4.350 -0.001 0.000 0.282 20 E C -1.397 175.220 176.600 0.029 0.000 1.026 20 E CA -0.747 55.665 56.400 0.019 0.000 0.820 20 E CB 0.988 30.706 29.700 0.030 0.000 1.226 20 E HN 0.370 nan 8.360 nan 0.000 0.432 21 E N 0.912 121.142 120.200 0.052 0.000 2.465 21 E HA 0.241 4.591 4.350 -0.001 0.000 0.260 21 E C -0.255 176.429 176.600 0.140 0.000 0.980 21 E CA 0.366 56.830 56.400 0.106 0.000 0.927 21 E CB 0.863 30.655 29.700 0.153 0.000 0.934 21 E HN 0.510 nan 8.360 nan 0.000 0.459 22 A N 3.167 126.112 122.820 0.209 0.000 2.287 22 A HA 0.283 4.603 4.320 -0.001 0.000 0.273 22 A C -0.090 177.519 177.584 0.042 0.000 1.091 22 A CA -0.659 51.486 52.037 0.179 0.000 0.817 22 A CB 0.785 19.964 19.000 0.297 0.000 1.069 22 A HN 0.439 nan 8.150 nan 0.000 0.492 23 V N 2.576 122.400 119.914 -0.150 0.000 2.572 23 V HA 0.154 4.273 4.120 -0.001 0.000 0.291 23 V C -2.050 173.759 176.094 -0.475 0.000 1.039 23 V CA -0.878 61.241 62.300 -0.302 0.000 1.055 23 V CB 0.713 32.358 31.823 -0.298 0.000 0.969 23 V HN 0.728 nan 8.190 nan 0.000 0.482 24 P HA 0.099 nan 4.420 nan 0.000 0.258 24 P C 0.897 177.930 177.300 -0.446 0.000 1.172 24 P CA 1.516 64.056 63.100 -0.934 0.000 0.762 24 P CB 0.231 31.340 31.700 -0.985 0.000 0.764 25 G N 3.100 111.727 108.800 -0.288 0.000 2.155 25 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.257 25 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.257 25 G C 1.035 175.713 174.900 -0.370 0.000 0.983 25 G CA 0.551 45.505 45.100 -0.243 0.000 0.676 25 G HN 0.591 nan 8.290 nan 0.000 0.528 26 S N -1.874 113.521 115.700 -0.508 0.000 2.562 26 S HA 0.193 4.662 4.470 -0.001 0.000 0.221 26 S C 0.676 174.560 174.600 -1.193 0.000 0.975 26 S CA 0.569 58.292 58.200 -0.796 0.000 0.918 26 S CB -0.216 62.450 63.200 -0.890 0.000 0.772 26 S HN 0.642 nan 8.310 nan 0.000 0.531 27 W N 2.211 123.119 121.300 -0.653 0.000 1.759 27 W HA 0.416 5.075 4.660 -0.001 0.000 0.291 27 W C -2.041 173.823 176.519 -1.091 0.000 0.855 27 W CA -2.149 54.535 57.345 -1.102 0.000 2.167 27 W CB 1.030 30.003 29.460 -0.811 0.000 2.351 27 W HN 0.078 nan 8.180 nan 0.000 0.423 28 P HA -0.231 nan 4.420 nan 0.000 0.221 28 P C 0.797 177.960 177.300 -0.228 0.000 1.141 28 P CA 1.848 64.704 63.100 -0.408 0.000 0.794 28 P CB 0.020 31.541 31.700 -0.299 0.000 0.764 29 W N -0.359 120.946 121.300 0.009 0.000 3.290 29 W HA 0.383 5.042 4.660 -0.000 0.000 0.287 29 W C 0.610 177.164 176.519 0.057 0.000 1.288 29 W CA -0.591 56.764 57.345 0.016 0.000 1.725 29 W CB -1.391 28.075 29.460 0.010 0.000 1.103 29 W HN -0.141 nan 8.180 nan 0.000 0.670 30 Q N 3.161 122.959 119.800 -0.003 0.000 2.307 30 Q HA 0.330 4.669 4.340 -0.001 0.000 0.261 30 Q C -0.204 175.905 176.000 0.182 0.000 1.051 30 Q CA -0.345 55.509 55.803 0.085 0.000 0.911 30 Q CB 0.830 29.502 28.738 -0.111 0.000 1.227 30 Q HN 0.255 nan 8.270 nan 0.000 0.418 31 V N 1.069 121.119 119.914 0.226 0.000 3.096 31 V HA 0.847 4.967 4.120 -0.001 0.000 0.319 31 V C -0.439 175.819 176.094 0.274 0.000 1.103 31 V CA -0.821 61.615 62.300 0.228 0.000 1.016 31 V CB 1.939 33.858 31.823 0.159 0.000 1.090 31 V HN 0.675 nan 8.190 nan 0.000 0.449 32 S N 1.594 117.386 115.700 0.155 0.000 2.502 32 S HA 0.706 5.175 4.470 -0.001 0.000 0.304 32 S C -0.843 173.732 174.600 -0.042 0.000 1.097 32 S CA -0.716 57.533 58.200 0.081 0.000 1.045 32 S CB 0.715 63.769 63.200 -0.244 0.000 1.019 32 S HN 0.757 nan 8.310 nan 0.000 0.481 33 L N 5.028 126.134 121.223 -0.195 0.000 2.264 33 L HA 0.506 4.846 4.340 -0.001 0.000 0.289 33 L C 0.106 176.710 176.870 -0.444 0.000 1.044 33 L CA -0.321 54.292 54.840 -0.379 0.000 0.807 33 L CB 1.132 42.782 42.059 -0.681 0.000 1.192 33 L HN 0.638 nan 8.230 nan 0.000 0.425 34 Q N 1.640 121.419 119.800 -0.035 0.000 2.413 34 Q HA 0.346 4.686 4.340 -0.001 0.000 0.276 34 Q C -1.155 175.062 176.000 0.361 0.000 1.099 34 Q CA -1.120 54.791 55.803 0.180 0.000 0.814 34 Q CB 2.718 31.494 28.738 0.063 0.000 1.379 34 Q HN 0.602 nan 8.270 nan 0.000 0.436 35 D N 0.359 120.992 120.400 0.389 0.000 2.447 35 D HA 0.060 4.699 4.640 -0.001 0.000 0.265 35 D C 0.486 176.867 176.300 0.135 0.000 1.250 35 D CA -0.374 53.755 54.000 0.215 0.000 1.046 35 D CB 0.743 41.612 40.800 0.115 0.000 1.095 35 D HN 0.377 nan 8.370 nan 0.000 0.555 36 K N -1.275 119.170 120.400 0.075 0.000 2.089 36 K HA -0.177 4.143 4.320 -0.001 0.000 0.210 36 K C 1.848 178.481 176.600 0.055 0.000 1.048 36 K CA 2.163 58.481 56.287 0.051 0.000 0.926 36 K CB -0.615 31.899 32.500 0.024 0.000 0.714 36 K HN 0.724 nan 8.250 nan 0.000 0.448 37 T N -2.800 111.795 114.554 0.068 0.000 3.148 37 T HA 0.160 4.510 4.350 -0.001 0.000 0.253 37 T C 1.252 176.009 174.700 0.094 0.000 1.134 37 T CA 0.517 62.658 62.100 0.069 0.000 1.051 37 T CB 0.270 69.174 68.868 0.061 0.000 0.959 37 T HN 0.412 nan 8.240 nan 0.000 0.525 38 G N 0.752 109.619 108.800 0.112 0.000 2.141 38 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.231 38 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.231 38 G C -0.223 174.751 174.900 0.124 0.000 0.984 38 G CA -0.167 44.985 45.100 0.087 0.000 0.660 38 G HN 0.627 nan 8.290 nan 0.000 0.525 39 F N 2.424 122.413 119.950 0.064 0.000 2.467 39 F HA 0.593 5.119 4.527 -0.001 0.000 0.362 39 F C 0.813 176.715 175.800 0.169 0.000 1.090 39 F CA -0.988 57.068 58.000 0.093 0.000 1.202 39 F CB 0.536 39.584 39.000 0.080 0.000 1.113 39 F HN 0.294 nan 8.300 nan 0.000 0.541 40 H N 6.985 125.647 119.070 -0.680 0.000 2.742 40 H HA 0.223 4.778 4.556 -0.001 0.000 0.302 40 H C -0.058 175.001 175.328 -0.448 0.000 1.069 40 H CA -0.222 55.528 56.048 -0.497 0.000 1.446 40 H CB 0.283 29.733 29.762 -0.521 0.000 1.462 40 H HN 0.579 nan 8.280 nan 0.000 0.499 41 F N 1.200 120.747 119.950 -0.673 0.000 2.784 41 F HA 0.465 4.991 4.527 -0.001 0.000 0.323 41 F C -0.473 175.075 175.800 -0.420 0.000 1.085 41 F CA -0.679 57.093 58.000 -0.380 0.000 1.196 41 F CB 0.016 39.018 39.000 0.003 0.000 1.053 41 F HN 0.427 nan 8.300 nan 0.000 0.578 42 c N 0.476 118.425 118.600 -1.085 0.000 3.312 42 c HA 0.739 5.308 4.570 -0.001 0.000 0.332 42 c C 0.555 174.444 174.090 -0.336 0.000 1.340 42 c CA -0.655 55.319 56.329 -0.593 0.000 1.265 42 c CB 1.153 43.369 42.510 -0.491 0.000 1.563 42 c HN 0.674 nan 8.230 nan 0.000 0.471 43 G N -0.068 108.704 108.800 -0.045 0.000 2.552 43 G HA2 0.831 4.791 3.960 -0.001 0.000 0.318 43 G HA3 0.831 4.791 3.960 -0.001 0.000 0.318 43 G C -0.357 174.567 174.900 0.041 0.000 1.240 43 G CA 0.142 45.316 45.100 0.122 0.000 1.002 43 G HN 1.446 nan 8.290 nan 0.000 0.493 44 G N -1.670 107.190 108.800 0.100 0.000 2.601 44 G HA2 0.527 4.487 3.960 -0.001 0.000 0.291 44 G HA3 0.527 4.487 3.960 -0.001 0.000 0.291 44 G C -1.356 173.635 174.900 0.152 0.000 1.456 44 G CA -0.315 44.842 45.100 0.095 0.000 0.804 44 G HN 0.832 nan 8.290 nan 0.000 0.499 45 S N -0.364 115.431 115.700 0.160 0.000 2.532 45 S HA 0.539 5.009 4.470 -0.001 0.000 0.299 45 S C -0.295 174.430 174.600 0.208 0.000 1.105 45 S CA -0.530 57.798 58.200 0.215 0.000 1.018 45 S CB 1.507 64.801 63.200 0.157 0.000 1.021 45 S HN 0.549 nan 8.310 nan 0.000 0.483 46 L N 3.936 125.318 121.223 0.267 0.000 2.361 46 L HA 0.339 4.678 4.340 -0.001 0.000 0.278 46 L C 1.237 178.243 176.870 0.227 0.000 1.113 46 L CA -0.099 54.905 54.840 0.273 0.000 0.849 46 L CB 0.331 42.587 42.059 0.329 0.000 1.155 46 L HN 0.774 nan 8.230 nan 0.000 0.452 47 I N -0.055 120.643 120.570 0.214 0.000 3.941 47 I HA 0.260 4.430 4.170 -0.001 0.000 0.321 47 I C 0.260 176.494 176.117 0.195 0.000 1.284 47 I CA -0.098 61.285 61.300 0.138 0.000 1.226 47 I CB 0.094 38.137 38.000 0.071 0.000 1.045 47 I HN 0.741 nan 8.210 nan 0.000 0.420 48 N N -0.294 118.597 118.700 0.319 0.000 3.373 48 N HA 0.092 4.831 4.740 -0.001 0.000 0.275 48 N C -0.243 175.490 175.510 0.372 0.000 1.489 48 N CA -0.619 52.655 53.050 0.372 0.000 0.872 48 N CB 0.632 39.259 38.487 0.232 0.000 1.555 48 N HN -0.139 nan 8.380 nan 0.000 0.500 49 E N -0.797 119.444 120.200 0.069 0.000 2.333 49 E HA 0.046 4.395 4.350 -0.001 0.000 0.198 49 E C 0.229 176.799 176.600 -0.049 0.000 1.007 49 E CA 1.081 57.341 56.400 -0.233 0.000 0.845 49 E CB -0.204 29.205 29.700 -0.485 0.000 0.766 49 E HN 0.458 nan 8.360 nan 0.000 0.507 50 N N -1.257 117.479 118.700 0.061 0.000 2.181 50 N HA 0.057 4.797 4.740 -0.001 0.000 0.207 50 N C -0.676 174.693 175.510 -0.234 0.000 1.182 50 N CA 0.133 53.126 53.050 -0.095 0.000 0.893 50 N CB 0.582 38.971 38.487 -0.163 0.000 1.032 50 N HN 0.066 nan 8.380 nan 0.000 0.513 51 W N 0.788 122.108 121.300 0.033 0.000 2.844 51 W HA 0.599 5.259 4.660 -0.000 0.000 0.340 51 W C -0.509 176.052 176.519 0.072 0.000 1.093 51 W CA -0.604 56.760 57.345 0.033 0.000 1.212 51 W CB 1.275 30.723 29.460 -0.020 0.000 1.422 51 W HN -0.433 nan 8.180 nan 0.000 0.515 52 V N 2.974 123.075 119.914 0.312 0.000 2.656 52 V HA 0.527 4.646 4.120 -0.001 0.000 0.307 52 V C -0.912 175.319 176.094 0.227 0.000 1.051 52 V CA -1.195 61.243 62.300 0.230 0.000 0.893 52 V CB 1.738 33.661 31.823 0.166 0.000 0.999 52 V HN 0.355 nan 8.190 nan 0.000 0.426 53 V N 4.365 124.387 119.914 0.181 0.000 2.483 53 V HA 0.862 4.981 4.120 -0.001 0.000 0.295 53 V C -0.034 176.133 176.094 0.122 0.000 1.035 53 V CA 0.495 62.892 62.300 0.162 0.000 0.896 53 V CB 1.908 33.808 31.823 0.129 0.000 0.986 53 V HN 1.105 nan 8.190 nan 0.000 0.447 54 T N 4.427 119.045 114.554 0.106 0.000 2.754 54 T HA 0.747 5.096 4.350 -0.001 0.000 0.296 54 T C -0.512 174.189 174.700 0.002 0.000 1.205 54 T CA 0.073 62.199 62.100 0.043 0.000 1.009 54 T CB 1.614 70.493 68.868 0.017 0.000 1.368 54 T HN 1.311 nan 8.240 nan 0.000 0.509 55 A N 0.714 123.485 122.820 -0.081 0.000 2.388 55 A HA 0.675 4.994 4.320 -0.001 0.000 0.257 55 A C 1.536 178.975 177.584 -0.242 0.000 1.095 55 A CA 0.303 52.248 52.037 -0.154 0.000 0.791 55 A CB -0.013 18.833 19.000 -0.256 0.000 1.029 55 A HN 1.239 nan 8.150 nan 0.000 0.489 56 A N 1.096 123.730 122.820 -0.309 0.000 2.015 56 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 56 A C 1.680 179.002 177.584 -0.437 0.000 1.163 56 A CA 1.566 53.328 52.037 -0.458 0.000 0.646 56 A CB -0.853 17.620 19.000 -0.878 0.000 0.806 56 A HN 1.062 nan 8.150 nan 0.000 0.448 57 H N -2.180 116.677 119.070 -0.355 0.000 2.556 57 H HA 0.032 4.587 4.556 -0.001 0.000 0.268 57 H C 1.371 176.714 175.328 0.025 0.000 0.996 57 H CA 1.003 56.998 56.048 -0.088 0.000 1.157 57 H CB -0.712 29.081 29.762 0.052 0.000 1.355 57 H HN 0.396 nan 8.280 nan 0.000 0.597 58 c N 1.027 119.468 118.600 -0.266 0.000 2.500 58 c HA 0.198 4.768 4.570 -0.001 0.000 0.273 58 c C 1.735 175.898 174.090 0.122 0.000 1.428 58 c CA 0.667 56.984 56.329 -0.021 0.000 1.766 58 c CB -1.108 41.399 42.510 -0.005 0.000 1.817 58 c HN 0.890 nan 8.230 nan 0.000 0.543 59 G N 1.763 110.593 108.800 0.050 0.000 2.352 59 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.283 59 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.283 59 G C -0.166 174.775 174.900 0.069 0.000 0.946 59 G CA 0.282 45.411 45.100 0.049 0.000 1.317 59 G HN 0.418 nan 8.290 nan 0.000 0.478 60 V N 1.430 121.419 119.914 0.126 0.000 2.607 60 V HA 0.748 4.867 4.120 -0.001 0.000 0.289 60 V C 1.005 177.156 176.094 0.095 0.000 1.053 60 V CA 0.312 62.721 62.300 0.181 0.000 0.996 60 V CB 1.477 33.425 31.823 0.209 0.000 0.995 60 V HN 0.938 nan 8.190 nan 0.000 0.476 61 T N -0.844 113.757 114.554 0.078 0.000 2.924 61 T HA 0.303 4.653 4.350 -0.001 0.000 0.291 61 T C 1.077 175.804 174.700 0.046 0.000 1.045 61 T CA 0.122 62.245 62.100 0.039 0.000 1.015 61 T CB 1.510 70.382 68.868 0.007 0.000 1.103 61 T HN 0.801 nan 8.240 nan 0.000 0.496 62 T N -1.756 112.811 114.554 0.023 0.000 3.077 62 T HA -0.084 4.265 4.350 -0.001 0.000 0.269 62 T C 1.709 176.422 174.700 0.022 0.000 1.146 62 T CA 1.211 63.321 62.100 0.018 0.000 1.091 62 T CB -0.498 68.368 68.868 -0.002 0.000 0.892 62 T HN 0.590 nan 8.240 nan 0.000 0.533 63 S N 0.510 116.224 115.700 0.022 0.000 2.593 63 S HA 0.123 4.592 4.470 -0.001 0.000 0.217 63 S C 0.058 174.684 174.600 0.043 0.000 0.966 63 S CA -0.507 57.705 58.200 0.021 0.000 0.914 63 S CB -0.293 62.910 63.200 0.004 0.000 0.776 63 S HN 0.500 nan 8.310 nan 0.000 0.523 64 D N 0.347 120.792 120.400 0.075 0.000 2.384 64 D HA 0.428 5.068 4.640 -0.001 0.000 0.250 64 D C -0.791 175.572 176.300 0.105 0.000 1.029 64 D CA -0.273 53.807 54.000 0.134 0.000 0.990 64 D CB 1.873 42.820 40.800 0.246 0.000 1.175 64 D HN 0.095 nan 8.370 nan 0.000 0.532 65 V N 0.462 120.442 119.914 0.111 0.000 2.735 65 V HA 0.414 4.533 4.120 -0.001 0.000 0.310 65 V C -1.043 175.077 176.094 0.044 0.000 1.061 65 V CA -0.534 61.804 62.300 0.063 0.000 0.913 65 V CB 2.016 33.867 31.823 0.047 0.000 1.005 65 V HN 0.254 nan 8.190 nan 0.000 0.428 66 V N 6.695 126.629 119.914 0.032 0.000 2.407 66 V HA 0.473 4.593 4.120 -0.001 0.000 0.278 66 V C -0.182 175.928 176.094 0.027 0.000 1.037 66 V CA -0.367 61.950 62.300 0.028 0.000 0.900 66 V CB 1.571 33.421 31.823 0.044 0.000 0.983 66 V HN 0.668 nan 8.190 nan 0.000 0.459 67 V N 4.791 124.715 119.914 0.017 0.000 2.357 67 V HA 0.784 4.903 4.120 -0.001 0.000 0.284 67 V C 0.379 176.504 176.094 0.051 0.000 1.018 67 V CA -0.352 61.954 62.300 0.011 0.000 0.841 67 V CB 1.393 33.187 31.823 -0.049 0.000 0.991 67 V HN 0.993 nan 8.190 nan 0.000 0.437 68 A N 3.266 126.129 122.820 0.071 0.000 2.322 68 A HA 0.825 5.144 4.320 -0.001 0.000 0.327 68 A C 1.072 178.714 177.584 0.096 0.000 1.134 68 A CA -0.052 52.050 52.037 0.107 0.000 0.831 68 A CB 1.131 20.208 19.000 0.129 0.000 1.288 68 A HN 2.047 nan 8.150 nan 0.000 0.472 69 G N -0.353 108.511 108.800 0.106 0.000 2.198 69 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 69 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 69 G C 0.029 174.996 174.900 0.112 0.000 1.025 69 G CA 0.793 45.945 45.100 0.087 0.000 0.769 69 G HN 1.057 nan 8.290 nan 0.000 0.507 70 E N -1.226 119.074 120.200 0.167 0.000 2.179 70 E HA 0.688 5.038 4.350 -0.001 0.000 0.275 70 E C 0.517 177.371 176.600 0.423 0.000 0.945 70 E CA -1.071 55.449 56.400 0.200 0.000 0.792 70 E CB 0.691 30.423 29.700 0.052 0.000 1.125 70 E HN 0.177 nan 8.360 nan 0.000 0.397 71 F N 3.222 123.295 119.950 0.205 0.000 2.522 71 F HA 0.264 4.790 4.527 -0.001 0.000 0.275 71 F C 0.149 176.141 175.800 0.319 0.000 0.890 71 F CA 0.077 58.227 58.000 0.250 0.000 1.157 71 F CB 0.534 39.590 39.000 0.093 0.000 1.117 71 F HN 0.404 nan 8.300 nan 0.000 0.787 72 D N 1.383 121.764 120.400 -0.032 0.000 2.412 72 D HA 0.136 4.776 4.640 -0.001 0.000 0.224 72 D C 0.365 176.589 176.300 -0.127 0.000 1.093 72 D CA 0.003 53.890 54.000 -0.189 0.000 0.850 72 D CB 1.555 42.309 40.800 -0.077 0.000 1.046 72 D HN 0.449 nan 8.370 nan 0.000 0.507 73 Q N 1.938 121.589 119.800 -0.248 0.000 2.364 73 Q HA -0.016 4.323 4.340 -0.001 0.000 0.207 73 Q C 1.610 177.495 176.000 -0.192 0.000 0.970 73 Q CA 0.723 56.331 55.803 -0.326 0.000 0.888 73 Q CB 0.364 28.758 28.738 -0.574 0.000 0.951 73 Q HN 0.538 nan 8.270 nan 0.000 0.469 74 G N 0.313 109.033 108.800 -0.135 0.000 2.777 74 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.211 74 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.211 74 G C 0.497 175.368 174.900 -0.049 0.000 1.149 74 G CA -0.151 44.900 45.100 -0.082 0.000 0.785 74 G HN 0.157 nan 8.290 nan 0.000 0.536 75 S N -0.071 115.605 115.700 -0.040 0.000 2.601 75 S HA 0.404 4.873 4.470 -0.001 0.000 0.271 75 S C 1.340 175.934 174.600 -0.011 0.000 1.305 75 S CA 0.258 58.453 58.200 -0.009 0.000 1.022 75 S CB 1.227 64.441 63.200 0.024 0.000 0.940 75 S HN 0.311 nan 8.310 nan 0.000 0.525 76 S N 1.126 116.826 115.700 -0.001 0.000 2.666 76 S HA 0.102 4.571 4.470 -0.001 0.000 0.239 76 S C 1.122 175.726 174.600 0.007 0.000 1.031 76 S CA 0.203 58.402 58.200 -0.002 0.000 1.015 76 S CB 0.020 63.218 63.200 -0.004 0.000 0.981 76 S HN 0.717 nan 8.310 nan 0.000 0.547 77 S N 0.823 116.532 115.700 0.015 0.000 2.524 77 S HA 0.214 4.683 4.470 -0.001 0.000 0.216 77 S C 0.341 174.955 174.600 0.024 0.000 0.987 77 S CA -0.443 57.768 58.200 0.018 0.000 0.909 77 S CB -0.279 62.934 63.200 0.021 0.000 0.781 77 S HN 0.551 nan 8.310 nan 0.000 0.521 78 E N 1.685 121.905 120.200 0.032 0.000 2.392 78 E HA 0.206 4.556 4.350 -0.001 0.000 0.259 78 E C -0.417 176.200 176.600 0.028 0.000 1.108 78 E CA -0.358 56.066 56.400 0.040 0.000 0.916 78 E CB 0.417 30.155 29.700 0.064 0.000 0.989 78 E HN 0.077 nan 8.360 nan 0.000 0.432 79 K N 2.864 123.282 120.400 0.029 0.000 2.363 79 K HA 0.234 4.553 4.320 -0.001 0.000 0.240 79 K C 0.252 176.871 176.600 0.032 0.000 1.169 79 K CA -0.119 56.183 56.287 0.025 0.000 1.131 79 K CB -0.868 31.644 32.500 0.021 0.000 1.771 79 K HN 0.471 nan 8.250 nan 0.000 0.380 80 I N -1.954 118.633 120.570 0.029 0.000 3.276 80 I HA 0.199 4.368 4.170 -0.001 0.000 0.306 80 I C -0.256 175.880 176.117 0.032 0.000 1.060 80 I CA -0.684 60.636 61.300 0.033 0.000 1.133 80 I CB 0.634 38.644 38.000 0.016 0.000 1.473 80 I HN 0.167 nan 8.210 nan 0.000 0.649 81 Q N 1.822 121.644 119.800 0.037 0.000 2.414 81 Q HA 0.359 4.699 4.340 -0.001 0.000 0.256 81 Q C -1.484 174.534 176.000 0.030 0.000 0.974 81 Q CA -0.580 55.245 55.803 0.037 0.000 0.723 81 Q CB 1.936 30.707 28.738 0.054 0.000 1.281 81 Q HN 0.504 nan 8.270 nan 0.000 0.470 82 K N 3.241 123.652 120.400 0.018 0.000 2.316 82 K HA 0.350 4.670 4.320 -0.001 0.000 0.289 82 K C -0.571 176.039 176.600 0.016 0.000 1.070 82 K CA 0.007 56.303 56.287 0.014 0.000 0.928 82 K CB 0.654 33.159 32.500 0.008 0.000 1.039 82 K HN 0.351 nan 8.250 nan 0.000 0.480 83 L N 2.975 124.210 121.223 0.019 0.000 2.334 83 L HA 0.421 4.760 4.340 -0.001 0.000 0.273 83 L C 0.200 177.076 176.870 0.009 0.000 1.013 83 L CA -0.990 53.857 54.840 0.012 0.000 0.816 83 L CB 1.302 43.371 42.059 0.016 0.000 1.278 83 L HN 0.338 nan 8.230 nan 0.000 0.431 84 K N 2.321 122.719 120.400 -0.002 0.000 2.110 84 K HA 0.536 4.855 4.320 -0.001 0.000 0.263 84 K C -0.732 175.860 176.600 -0.013 0.000 0.975 84 K CA -0.591 55.695 56.287 -0.002 0.000 0.895 84 K CB 2.047 34.543 32.500 -0.006 0.000 1.060 84 K HN 0.452 nan 8.250 nan 0.000 0.448 85 I N 2.429 122.998 120.570 -0.002 0.000 2.312 85 I HA 0.025 4.194 4.170 -0.001 0.000 0.291 85 I C 1.210 177.314 176.117 -0.022 0.000 1.031 85 I CA -0.056 61.239 61.300 -0.008 0.000 1.293 85 I CB 1.443 39.457 38.000 0.024 0.000 1.403 85 I HN 0.758 nan 8.210 nan 0.000 0.484 86 A N 6.471 129.261 122.820 -0.050 0.000 1.874 86 A HA 0.040 4.359 4.320 -0.001 0.000 0.214 86 A C 0.983 178.547 177.584 -0.033 0.000 1.189 86 A CA 1.111 53.120 52.037 -0.048 0.000 0.615 86 A CB 0.185 19.139 19.000 -0.076 0.000 0.830 86 A HN 0.704 nan 8.150 nan 0.000 0.443 87 K N -1.194 119.196 120.400 -0.017 0.000 2.542 87 K HA 0.533 4.852 4.320 -0.001 0.000 0.259 87 K C -2.062 174.564 176.600 0.044 0.000 0.932 87 K CA -0.561 55.707 56.287 -0.031 0.000 0.820 87 K CB 2.227 34.697 32.500 -0.050 0.000 1.345 87 K HN -0.027 nan 8.250 nan 0.000 0.432 88 V N 4.038 123.913 119.914 -0.066 0.000 2.435 88 V HA 0.496 4.616 4.120 -0.001 0.000 0.290 88 V C -1.047 175.023 176.094 -0.040 0.000 1.030 88 V CA -0.543 61.802 62.300 0.075 0.000 0.881 88 V CB 1.009 32.866 31.823 0.056 0.000 0.983 88 V HN 0.570 nan 8.190 nan 0.000 0.445 89 F N 3.842 123.929 119.950 0.228 0.000 2.359 89 F HA 0.446 4.972 4.527 -0.001 0.000 0.370 89 F C 0.379 176.410 175.800 0.385 0.000 1.077 89 F CA -0.700 57.481 58.000 0.302 0.000 1.136 89 F CB 1.094 40.291 39.000 0.328 0.000 1.387 89 F HN 0.334 nan 8.300 nan 0.000 0.468 90 K N 2.441 123.055 120.400 0.356 0.000 2.298 90 K HA 0.110 4.429 4.320 -0.001 0.000 0.280 90 K C 0.327 177.043 176.600 0.194 0.000 1.032 90 K CA -0.495 55.928 56.287 0.227 0.000 0.958 90 K CB 0.577 33.149 32.500 0.119 0.000 0.978 90 K HN 0.467 nan 8.250 nan 0.000 0.472 91 N N 2.165 120.792 118.700 -0.122 0.000 2.468 91 N HA -0.075 4.665 4.740 -0.001 0.000 0.265 91 N C 0.674 176.082 175.510 -0.171 0.000 1.199 91 N CA 0.272 52.994 53.050 -0.547 0.000 0.928 91 N CB 1.002 38.925 38.487 -0.939 0.000 1.059 91 N HN 0.726 nan 8.380 nan 0.000 0.467 92 S N 3.822 119.464 115.700 -0.098 0.000 2.419 92 S HA -0.103 4.366 4.470 -0.001 0.000 0.233 92 S C 1.205 175.792 174.600 -0.022 0.000 1.016 92 S CA 0.970 59.171 58.200 0.002 0.000 0.974 92 S CB -0.002 63.230 63.200 0.053 0.000 0.786 92 S HN 0.621 nan 8.310 nan 0.000 0.492 93 K N 0.370 120.718 120.400 -0.085 0.000 2.476 93 K HA 0.165 4.485 4.320 -0.001 0.000 0.196 93 K C -0.222 176.368 176.600 -0.018 0.000 1.025 93 K CA -0.335 55.918 56.287 -0.058 0.000 1.138 93 K CB -0.051 32.403 32.500 -0.077 0.000 0.860 93 K HN 0.519 nan 8.250 nan 0.000 0.515 94 Y N 1.719 121.948 120.300 -0.118 0.000 2.411 94 Y HA 0.094 4.644 4.550 -0.001 0.000 0.333 94 Y C -0.288 175.579 175.900 -0.056 0.000 1.186 94 Y CA -0.656 57.394 58.100 -0.084 0.000 1.381 94 Y CB 0.436 38.854 38.460 -0.070 0.000 1.273 94 Y HN -0.067 nan 8.280 nan 0.000 0.546 95 N N 2.927 121.129 118.700 -0.829 0.000 2.461 95 N HA 0.081 4.821 4.740 -0.001 0.000 0.284 95 N C -0.161 174.759 175.510 -0.983 0.000 1.049 95 N CA 0.112 52.730 53.050 -0.720 0.000 0.889 95 N CB 1.630 39.912 38.487 -0.342 0.000 1.365 95 N HN 0.730 nan 8.380 nan 0.000 0.499 96 S N 2.941 118.148 115.700 -0.821 0.000 2.603 96 S HA -0.020 4.450 4.470 -0.001 0.000 0.229 96 S C 1.424 175.847 174.600 -0.294 0.000 0.972 96 S CA 0.104 58.019 58.200 -0.474 0.000 0.935 96 S CB 0.023 63.104 63.200 -0.198 0.000 0.769 96 S HN 0.501 nan 8.310 nan 0.000 0.536 97 L N 2.355 123.398 121.223 -0.299 0.000 2.269 97 L HA 0.161 4.500 4.340 -0.001 0.000 0.200 97 L C 2.337 179.055 176.870 -0.254 0.000 1.069 97 L CA 2.164 56.868 54.840 -0.226 0.000 0.804 97 L CB -1.313 40.639 42.059 -0.178 0.000 0.987 97 L HN 0.609 nan 8.230 nan 0.000 0.468 98 T N -3.238 111.163 114.554 -0.255 0.000 3.060 98 T HA 0.144 4.494 4.350 -0.001 0.000 0.249 98 T C 1.038 175.572 174.700 -0.277 0.000 1.079 98 T CA -0.266 61.688 62.100 -0.242 0.000 1.013 98 T CB 0.285 69.061 68.868 -0.152 0.000 0.975 98 T HN 0.154 nan 8.240 nan 0.000 0.518 99 I N 1.256 121.665 120.570 -0.268 0.000 6.395 99 I HA -0.187 3.982 4.170 -0.001 0.000 0.126 99 I C -0.061 176.108 176.117 0.087 0.000 1.812 99 I CA 0.192 61.427 61.300 -0.108 0.000 2.112 99 I CB -2.980 34.788 38.000 -0.387 0.000 3.457 99 I HN 0.410 nan 8.210 nan 0.000 0.192 100 N N 2.531 121.260 118.700 0.048 0.000 2.466 100 N HA 0.410 5.150 4.740 -0.001 0.000 0.294 100 N C 0.597 176.213 175.510 0.176 0.000 1.129 100 N CA -0.168 52.946 53.050 0.107 0.000 0.931 100 N CB 0.806 39.312 38.487 0.032 0.000 1.193 100 N HN 0.215 nan 8.380 nan 0.000 0.500 101 N N 0.726 119.503 118.700 0.127 0.000 2.738 101 N HA -0.218 4.521 4.740 -0.001 0.000 0.249 101 N C -1.288 174.289 175.510 0.111 0.000 1.047 101 N CA 0.474 53.565 53.050 0.068 0.000 0.707 101 N CB -1.001 37.486 38.487 0.001 0.000 0.937 101 N HN 0.617 nan 8.380 nan 0.000 0.545 102 D N 1.279 121.762 120.400 0.139 0.000 2.545 102 D HA 0.395 5.034 4.640 -0.001 0.000 0.227 102 D C 0.063 176.324 176.300 -0.065 0.000 1.150 102 D CA 0.141 54.153 54.000 0.021 0.000 1.046 102 D CB -0.228 40.684 40.800 0.186 0.000 1.098 102 D HN 0.491 nan 8.370 nan 0.000 0.502 103 I N 0.777 121.258 120.570 -0.149 0.000 2.827 103 I HA 0.388 4.557 4.170 -0.001 0.000 0.298 103 I C -1.346 174.750 176.117 -0.034 0.000 1.235 103 I CA -0.318 60.947 61.300 -0.058 0.000 1.021 103 I CB 2.251 40.262 38.000 0.017 0.000 1.259 103 I HN -0.059 nan 8.210 nan 0.000 0.427 104 T N 6.829 121.456 114.554 0.122 0.000 2.993 104 T HA 0.500 4.850 4.350 -0.001 0.000 0.312 104 T C -0.924 173.982 174.700 0.344 0.000 1.115 104 T CA -0.426 61.824 62.100 0.250 0.000 1.027 104 T CB 1.682 70.624 68.868 0.123 0.000 1.116 104 T HN 0.337 nan 8.240 nan 0.000 0.464 105 L N 3.125 124.640 121.223 0.485 0.000 2.334 105 L HA 0.663 5.002 4.340 -0.001 0.000 0.275 105 L C -0.783 176.378 176.870 0.486 0.000 1.036 105 L CA -0.964 54.134 54.840 0.429 0.000 0.807 105 L CB 1.164 43.400 42.059 0.294 0.000 1.231 105 L HN 0.404 nan 8.230 nan 0.000 0.438 106 L N 3.466 124.936 121.223 0.412 0.000 2.372 106 L HA 0.433 4.773 4.340 -0.001 0.000 0.273 106 L C -0.357 176.536 176.870 0.038 0.000 0.989 106 L CA -0.515 54.479 54.840 0.256 0.000 0.841 106 L CB 1.674 43.827 42.059 0.158 0.000 1.225 106 L HN 0.497 nan 8.230 nan 0.000 0.414 107 K N 4.408 124.680 120.400 -0.213 0.000 2.258 107 K HA 0.507 4.826 4.320 -0.001 0.000 0.284 107 K C -0.617 175.734 176.600 -0.414 0.000 1.051 107 K CA -0.513 55.239 56.287 -0.892 0.000 0.923 107 K CB 0.794 32.635 32.500 -1.099 0.000 1.046 107 K HN 0.527 nan 8.250 nan 0.000 0.474 108 L N 3.207 124.192 121.223 -0.396 0.000 2.395 108 L HA 0.097 4.436 4.340 -0.001 0.000 0.269 108 L C 1.549 178.312 176.870 -0.178 0.000 1.133 108 L CA -0.359 54.362 54.840 -0.198 0.000 0.812 108 L CB 1.441 43.419 42.059 -0.134 0.000 1.125 108 L HN 0.826 nan 8.230 nan 0.000 0.452 109 S N -0.944 114.694 115.700 -0.104 0.000 2.527 109 S HA 0.014 4.484 4.470 -0.001 0.000 0.222 109 S C 0.558 175.118 174.600 -0.068 0.000 0.985 109 S CA 0.227 58.380 58.200 -0.079 0.000 0.921 109 S CB -0.295 62.876 63.200 -0.048 0.000 0.772 109 S HN 0.805 nan 8.310 nan 0.000 0.529 110 T N -0.150 114.362 114.554 -0.069 0.000 3.293 110 T HA 0.747 5.096 4.350 -0.001 0.000 0.320 110 T C -0.342 174.319 174.700 -0.064 0.000 0.995 110 T CA -0.453 61.613 62.100 -0.057 0.000 1.041 110 T CB 1.090 69.937 68.868 -0.036 0.000 1.058 110 T HN 0.413 nan 8.240 nan 0.000 0.453 111 A N 2.718 125.492 122.820 -0.078 0.000 2.555 111 A HA 0.637 4.957 4.320 -0.001 0.000 0.233 111 A C 1.011 178.546 177.584 -0.082 0.000 1.060 111 A CA 0.028 52.008 52.037 -0.095 0.000 0.759 111 A CB -0.427 18.504 19.000 -0.116 0.000 0.995 111 A HN 1.603 nan 8.150 nan 0.000 0.506 112 A N 1.526 124.292 122.820 -0.090 0.000 2.287 112 A HA 0.578 4.897 4.320 -0.001 0.000 0.273 112 A C 0.531 178.050 177.584 -0.108 0.000 1.091 112 A CA -0.106 51.912 52.037 -0.032 0.000 0.817 112 A CB 0.244 19.302 19.000 0.097 0.000 1.069 112 A HN 0.973 nan 8.150 nan 0.000 0.492 113 S N 0.735 116.440 115.700 0.009 0.000 2.520 113 S HA 0.509 4.979 4.470 -0.001 0.000 0.324 113 S C -0.776 173.943 174.600 0.198 0.000 1.069 113 S CA -0.328 57.882 58.200 0.017 0.000 1.121 113 S CB -0.143 63.077 63.200 0.034 0.000 0.971 113 S HN 0.391 nan 8.310 nan 0.000 0.463 114 F N 3.160 123.136 119.950 0.043 0.000 2.518 114 F HA 0.432 4.959 4.527 -0.001 0.000 0.359 114 F C 1.429 177.250 175.800 0.035 0.000 1.118 114 F CA -0.617 57.413 58.000 0.049 0.000 1.287 114 F CB 0.359 39.396 39.000 0.061 0.000 1.132 114 F HN 0.637 nan 8.300 nan 0.000 0.587 115 S N 1.602 117.426 115.700 0.206 0.000 3.003 115 S HA 0.251 4.721 4.470 -0.001 0.000 0.313 115 S C 0.308 174.929 174.600 0.036 0.000 1.230 115 S CA -0.812 57.448 58.200 0.101 0.000 0.977 115 S CB 1.336 64.583 63.200 0.078 0.000 1.340 115 S HN 0.489 nan 8.310 nan 0.000 0.608 116 Q N 0.651 120.455 119.800 0.006 0.000 2.291 116 Q HA -0.006 4.334 4.340 -0.001 0.000 0.205 116 Q C 1.341 177.299 176.000 -0.070 0.000 0.970 116 Q CA 1.732 57.514 55.803 -0.036 0.000 0.876 116 Q CB -0.314 28.400 28.738 -0.041 0.000 0.935 116 Q HN 0.903 nan 8.270 nan 0.000 0.455 117 T N -4.338 110.188 114.554 -0.047 0.000 3.044 117 T HA 0.283 4.633 4.350 -0.001 0.000 0.260 117 T C 0.239 174.910 174.700 -0.049 0.000 1.019 117 T CA -0.283 61.776 62.100 -0.067 0.000 0.921 117 T CB 0.572 69.417 68.868 -0.039 0.000 1.053 117 T HN -0.139 nan 8.240 nan 0.000 0.533 118 V N 2.649 122.554 119.914 -0.015 0.000 2.488 118 V HA 0.764 4.883 4.120 -0.001 0.000 0.293 118 V C -0.499 175.505 176.094 -0.151 0.000 1.027 118 V CA -0.436 61.874 62.300 0.017 0.000 0.862 118 V CB 1.339 33.260 31.823 0.163 0.000 1.008 118 V HN 0.702 nan 8.190 nan 0.000 0.428 119 S N 3.478 118.948 115.700 -0.383 0.000 2.672 119 S HA 0.948 5.417 4.470 -0.001 0.000 0.271 119 S C -0.567 173.692 174.600 -0.567 0.000 1.171 119 S CA -0.314 57.278 58.200 -1.013 0.000 0.817 119 S CB 1.925 64.843 63.200 -0.470 0.000 1.150 119 S HN 1.378 nan 8.310 nan 0.000 0.478 120 A N 0.263 122.768 122.820 -0.526 0.000 2.295 120 A HA 0.820 5.140 4.320 -0.001 0.000 0.318 120 A C -0.090 177.523 177.584 0.047 0.000 1.134 120 A CA -0.743 51.282 52.037 -0.021 0.000 0.827 120 A CB 1.096 20.161 19.000 0.107 0.000 1.136 120 A HN 1.441 nan 8.150 nan 0.000 0.493 121 V N 1.141 120.978 119.914 -0.129 0.000 2.863 121 V HA 0.418 4.537 4.120 -0.001 0.000 0.307 121 V C 0.124 176.040 176.094 -0.296 0.000 1.061 121 V CA -0.595 61.325 62.300 -0.633 0.000 1.024 121 V CB 1.129 32.275 31.823 -1.129 0.000 1.049 121 V HN 1.027 nan 8.190 nan 0.000 0.471 122 c N 5.558 123.995 118.600 -0.272 0.000 2.459 122 c HA 0.520 5.090 4.570 -0.001 0.000 0.374 122 c C 0.176 174.203 174.090 -0.104 0.000 1.241 122 c CA -0.778 55.477 56.329 -0.123 0.000 2.352 122 c CB 0.183 42.651 42.510 -0.070 0.000 2.490 122 c HN 0.750 nan 8.230 nan 0.000 0.583 123 L N 4.369 125.559 121.223 -0.055 0.000 2.334 123 L HA 0.495 4.835 4.340 -0.001 0.000 0.275 123 L C -1.679 175.195 176.870 0.007 0.000 1.036 123 L CA -1.170 53.650 54.840 -0.034 0.000 0.807 123 L CB 1.417 43.455 42.059 -0.035 0.000 1.231 123 L HN 0.522 nan 8.230 nan 0.000 0.438 124 P HA 0.255 nan 4.420 nan 0.000 0.284 124 P C -0.949 176.390 177.300 0.065 0.000 1.292 124 P CA -0.538 62.628 63.100 0.110 0.000 0.800 124 P CB 1.177 33.028 31.700 0.252 0.000 1.188 125 S N -0.541 115.192 115.700 0.055 0.000 2.554 125 S HA 0.358 4.828 4.470 -0.001 0.000 0.278 125 S C 1.490 176.114 174.600 0.040 0.000 1.242 125 S CA -0.107 58.108 58.200 0.024 0.000 1.051 125 S CB 1.067 64.265 63.200 -0.004 0.000 0.986 125 S HN 0.575 nan 8.310 nan 0.000 0.502 126 A N 2.309 125.148 122.820 0.032 0.000 2.084 126 A HA -0.135 4.185 4.320 -0.001 0.000 0.221 126 A C 2.111 179.716 177.584 0.035 0.000 1.161 126 A CA 2.029 54.091 52.037 0.041 0.000 0.653 126 A CB -0.753 18.267 19.000 0.033 0.000 0.802 126 A HN 0.844 nan 8.150 nan 0.000 0.457 127 S N -0.971 114.738 115.700 0.014 0.000 2.486 127 S HA 0.055 4.524 4.470 -0.001 0.000 0.220 127 S C 0.274 174.857 174.600 -0.028 0.000 1.011 127 S CA -0.139 58.059 58.200 -0.004 0.000 0.921 127 S CB -0.233 62.958 63.200 -0.016 0.000 0.785 127 S HN 0.401 nan 8.310 nan 0.000 0.517 128 D N 3.097 123.476 120.400 -0.036 0.000 2.525 128 D HA 0.111 4.751 4.640 -0.001 0.000 0.235 128 D C -0.615 175.586 176.300 -0.165 0.000 1.137 128 D CA 1.017 54.933 54.000 -0.139 0.000 0.868 128 D CB 0.415 41.145 40.800 -0.116 0.000 1.180 128 D HN 0.420 nan 8.370 nan 0.000 0.465 129 D N 2.080 122.274 120.400 -0.343 0.000 2.649 129 D HA 0.223 4.863 4.640 -0.001 0.000 0.249 129 D C -1.256 174.772 176.300 -0.453 0.000 1.112 129 D CA -0.542 53.317 54.000 -0.235 0.000 0.850 129 D CB 0.681 41.411 40.800 -0.118 0.000 1.399 129 D HN 0.060 nan 8.370 nan 0.000 0.503 130 F N 1.881 121.817 119.950 -0.023 0.000 2.375 130 F HA 0.472 4.999 4.527 -0.000 0.000 0.361 130 F C 0.981 176.767 175.800 -0.023 0.000 1.117 130 F CA -0.766 57.216 58.000 -0.030 0.000 1.037 130 F CB 1.666 40.644 39.000 -0.038 0.000 1.192 130 F HN 0.323 nan 8.300 nan 0.000 0.452 131 A N 2.312 125.186 122.820 0.089 0.000 2.483 131 A HA 0.584 4.903 4.320 -0.001 0.000 0.238 131 A C 0.469 178.092 177.584 0.065 0.000 1.070 131 A CA -0.079 51.992 52.037 0.056 0.000 0.770 131 A CB -0.036 18.976 19.000 0.021 0.000 1.008 131 A HN 0.938 nan 8.150 nan 0.000 0.497 132 A N 0.577 123.426 122.820 0.049 0.000 2.425 132 A HA 0.515 4.834 4.320 -0.001 0.000 0.242 132 A C 1.658 179.262 177.584 0.034 0.000 1.077 132 A CA 0.700 52.762 52.037 0.042 0.000 0.781 132 A CB -0.499 18.525 19.000 0.041 0.000 1.020 132 A HN 2.761 nan 8.150 nan 0.000 0.494 133 G N 0.462 109.278 108.800 0.028 0.000 2.225 133 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.254 133 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.254 133 G C 0.539 175.452 174.900 0.023 0.000 0.988 133 G CA 0.601 45.715 45.100 0.024 0.000 0.625 133 G HN 1.252 nan 8.290 nan 0.000 0.527 134 T N 2.576 117.148 114.554 0.030 0.000 2.888 134 T HA 0.449 4.798 4.350 -0.001 0.000 0.301 134 T C 0.627 175.340 174.700 0.023 0.000 1.001 134 T CA 0.957 63.078 62.100 0.035 0.000 1.147 134 T CB 1.038 69.947 68.868 0.067 0.000 0.931 134 T HN 0.267 nan 8.240 nan 0.000 0.541 135 T N 4.052 118.622 114.554 0.028 0.000 2.794 135 T HA 0.405 4.755 4.350 -0.001 0.000 0.296 135 T C 0.209 174.938 174.700 0.048 0.000 0.949 135 T CA -0.530 61.590 62.100 0.033 0.000 1.101 135 T CB -0.015 68.882 68.868 0.047 0.000 0.905 135 T HN 0.697 nan 8.240 nan 0.000 0.516 136 c N 2.523 121.142 118.600 0.032 0.000 3.161 136 c HA 0.850 5.420 4.570 -0.001 0.000 0.330 136 c C -0.206 173.917 174.090 0.056 0.000 1.396 136 c CA -0.714 55.651 56.329 0.061 0.000 1.536 136 c CB 1.757 44.239 42.510 -0.046 0.000 1.978 136 c HN 0.627 nan 8.230 nan 0.000 0.454 137 V N 0.524 120.470 119.914 0.054 0.000 2.735 137 V HA 0.765 4.884 4.120 -0.001 0.000 0.310 137 V C -0.172 175.767 176.094 -0.259 0.000 1.061 137 V CA -0.151 62.089 62.300 -0.101 0.000 0.913 137 V CB 1.918 33.642 31.823 -0.165 0.000 1.005 137 V HN 0.971 nan 8.190 nan 0.000 0.428 138 T N 2.209 116.593 114.554 -0.282 0.000 2.907 138 T HA 0.821 5.171 4.350 -0.001 0.000 0.292 138 T C -0.442 174.036 174.700 -0.370 0.000 1.043 138 T CA 0.089 62.028 62.100 -0.268 0.000 1.003 138 T CB 1.754 70.559 68.868 -0.105 0.000 1.084 138 T HN 1.098 nan 8.240 nan 0.000 0.483 139 T N -0.121 114.203 114.554 -0.384 0.000 2.865 139 T HA 0.934 5.283 4.350 -0.001 0.000 0.294 139 T C 0.022 174.522 174.700 -0.333 0.000 1.119 139 T CA -0.247 61.573 62.100 -0.466 0.000 1.007 139 T CB 1.494 69.897 68.868 -0.774 0.000 1.225 139 T HN 1.399 nan 8.240 nan 0.000 0.515 140 G N -0.805 107.736 108.800 -0.430 0.000 2.350 140 G HA2 0.311 4.271 3.960 -0.001 0.000 0.304 140 G HA3 0.311 4.271 3.960 -0.001 0.000 0.304 140 G C -1.546 173.121 174.900 -0.388 0.000 1.421 140 G CA -0.910 43.975 45.100 -0.358 0.000 0.934 140 G HN 0.728 nan 8.290 nan 0.000 0.632 141 W N 1.590 122.817 121.300 -0.122 0.000 2.385 141 W HA 0.484 5.144 4.660 -0.001 0.000 0.393 141 W C 0.824 177.308 176.519 -0.058 0.000 0.720 141 W CA -0.216 57.014 57.345 -0.192 0.000 2.575 141 W CB 0.991 30.155 29.460 -0.493 0.000 1.693 141 W HN 0.824 nan 8.180 nan 0.000 0.767 142 G N 0.445 109.331 108.800 0.145 0.000 2.477 142 G HA2 0.495 4.454 3.960 -0.001 0.000 0.304 142 G HA3 0.495 4.454 3.960 -0.001 0.000 0.304 142 G C -0.058 174.906 174.900 0.106 0.000 1.175 142 G CA -0.824 44.364 45.100 0.145 0.000 0.907 142 G HN 0.055 nan 8.290 nan 0.000 0.509 143 L N -0.159 121.134 121.223 0.117 0.000 2.554 143 L HA -0.004 4.336 4.340 -0.001 0.000 0.293 143 L C 1.861 178.779 176.870 0.080 0.000 1.252 143 L CA 0.538 55.440 54.840 0.103 0.000 0.862 143 L CB 0.354 42.492 42.059 0.131 0.000 1.113 143 L HN 0.772 nan 8.230 nan 0.000 0.510 144 T N -1.169 113.424 114.554 0.065 0.000 3.069 144 T HA 0.258 4.608 4.350 -0.001 0.000 0.252 144 T C 0.569 175.305 174.700 0.061 0.000 1.053 144 T CA -0.222 61.908 62.100 0.050 0.000 0.964 144 T CB 0.212 69.099 68.868 0.033 0.000 1.005 144 T HN 0.554 nan 8.240 nan 0.000 0.532 145 R N -0.456 120.093 120.500 0.081 0.000 2.561 145 R HA 0.241 4.581 4.340 -0.001 0.000 0.266 145 R C -0.885 175.502 176.300 0.145 0.000 1.091 145 R CA -0.729 55.430 56.100 0.098 0.000 0.927 145 R CB 1.000 31.338 30.300 0.063 0.000 1.240 145 R HN 0.035 nan 8.270 nan 0.000 0.449 146 Y N 1.540 121.863 120.300 0.039 0.000 2.497 146 Y HA -0.074 4.475 4.550 -0.001 0.000 0.292 146 Y C 1.669 177.595 175.900 0.043 0.000 1.137 146 Y CA 1.706 59.832 58.100 0.045 0.000 1.285 146 Y CB 0.320 38.807 38.460 0.045 0.000 0.991 146 Y HN 0.521 nan 8.280 nan 0.000 0.556 147 T N 0.299 114.828 114.554 -0.042 0.000 3.312 147 T HA 0.112 4.462 4.350 -0.001 0.000 0.251 147 T C 0.981 175.641 174.700 -0.065 0.000 1.012 147 T CA 0.314 62.346 62.100 -0.113 0.000 0.925 147 T CB -0.487 68.364 68.868 -0.028 0.000 1.049 147 T HN 0.331 nan 8.240 nan 0.000 0.583 148 N N 1.180 119.855 118.700 -0.042 0.000 2.460 148 N HA 0.275 5.015 4.740 -0.001 0.000 0.193 148 N C 1.256 176.763 175.510 -0.005 0.000 1.080 148 N CA 0.773 53.818 53.050 -0.008 0.000 0.869 148 N CB 0.219 38.721 38.487 0.025 0.000 1.201 148 N HN 0.409 nan 8.380 nan 0.000 0.457 149 A N 0.975 123.788 122.820 -0.011 0.000 2.715 149 A HA -0.225 4.095 4.320 -0.001 0.000 0.301 149 A C -0.379 177.237 177.584 0.054 0.000 1.515 149 A CA 0.924 52.972 52.037 0.017 0.000 0.816 149 A CB -1.866 17.126 19.000 -0.014 0.000 1.004 149 A HN 0.388 nan 8.150 nan 0.000 0.483 150 N N -0.714 118.023 118.700 0.062 0.000 2.777 150 N HA 0.281 5.020 4.740 -0.001 0.000 0.260 150 N C -0.305 175.243 175.510 0.064 0.000 1.113 150 N CA 0.421 53.512 53.050 0.068 0.000 0.996 150 N CB 1.558 40.073 38.487 0.046 0.000 1.584 150 N HN 0.619 nan 8.380 nan 0.000 0.573 151 T N -0.034 114.562 114.554 0.069 0.000 2.856 151 T HA 0.421 4.771 4.350 -0.001 0.000 0.306 151 T C -2.060 172.663 174.700 0.039 0.000 1.062 151 T CA -0.768 61.372 62.100 0.066 0.000 1.083 151 T CB 0.663 69.571 68.868 0.068 0.000 0.984 151 T HN 0.237 nan 8.240 nan 0.000 0.542 152 P HA 0.301 nan 4.420 nan 0.000 0.274 152 P C -0.007 177.310 177.300 0.030 0.000 1.237 152 P CA -0.295 62.825 63.100 0.034 0.000 0.793 152 P CB 0.935 32.654 31.700 0.032 0.000 0.977 153 D N 0.145 120.535 120.400 -0.017 0.000 2.137 153 D HA -0.021 4.618 4.640 -0.001 0.000 0.202 153 D C 0.489 176.751 176.300 -0.064 0.000 0.970 153 D CA 1.108 55.068 54.000 -0.067 0.000 0.837 153 D CB 0.252 41.006 40.800 -0.077 0.000 0.981 153 D HN 0.310 nan 8.370 nan 0.000 0.475 154 R N 0.337 120.767 120.500 -0.117 0.000 2.407 154 R HA 0.352 4.691 4.340 -0.001 0.000 0.303 154 R C -0.699 175.438 176.300 -0.272 0.000 0.981 154 R CA -1.132 54.749 56.100 -0.365 0.000 0.905 154 R CB 1.621 31.573 30.300 -0.580 0.000 1.099 154 R HN 0.046 nan 8.270 nan 0.000 0.459 155 L N 2.864 123.814 121.223 -0.455 0.000 2.640 155 L HA -0.109 4.231 4.340 -0.001 0.000 0.280 155 L C -0.366 176.275 176.870 -0.381 0.000 1.229 155 L CA 1.153 55.499 54.840 -0.824 0.000 0.919 155 L CB 0.269 41.919 42.059 -0.682 0.000 1.168 155 L HN 0.457 nan 8.230 nan 0.000 0.496 156 Q N 4.727 124.283 119.800 -0.407 0.000 2.248 156 Q HA 0.483 4.822 4.340 -0.001 0.000 0.263 156 Q C -0.974 174.896 176.000 -0.217 0.000 1.007 156 Q CA -0.551 55.130 55.803 -0.203 0.000 0.877 156 Q CB 1.936 30.584 28.738 -0.150 0.000 1.315 156 Q HN 0.790 nan 8.270 nan 0.000 0.454 157 Q N -1.008 118.720 119.800 -0.120 0.000 2.456 157 Q HA 0.894 5.234 4.340 -0.001 0.000 0.284 157 Q C -1.789 174.161 176.000 -0.083 0.000 1.061 157 Q CA -1.163 54.548 55.803 -0.154 0.000 0.799 157 Q CB 2.269 30.998 28.738 -0.015 0.000 1.445 157 Q HN 0.560 nan 8.270 nan 0.000 0.411 158 A N 0.996 123.753 122.820 -0.103 0.000 2.589 158 A HA 0.689 5.008 4.320 -0.001 0.000 0.296 158 A C -1.237 176.324 177.584 -0.039 0.000 1.062 158 A CA -0.694 51.316 52.037 -0.046 0.000 0.686 158 A CB 2.213 21.188 19.000 -0.041 0.000 1.282 158 A HN 0.592 nan 8.150 nan 0.000 0.404 159 S N 0.890 116.593 115.700 0.004 0.000 2.541 159 S HA 0.829 5.298 4.470 -0.001 0.000 0.283 159 S C -0.359 174.242 174.600 0.002 0.000 1.196 159 S CA -0.491 57.721 58.200 0.021 0.000 1.062 159 S CB 0.732 63.967 63.200 0.058 0.000 1.009 159 S HN 1.151 nan 8.310 nan 0.000 0.502 160 L N 0.037 121.253 121.223 -0.011 0.000 2.582 160 L HA 0.771 5.110 4.340 -0.001 0.000 0.257 160 L C -3.188 173.665 176.870 -0.029 0.000 0.974 160 L CA -2.399 52.428 54.840 -0.022 0.000 0.851 160 L CB 2.207 44.244 42.059 -0.036 0.000 1.424 160 L HN 0.343 nan 8.230 nan 0.000 0.412 161 P HA 0.396 nan 4.420 nan 0.000 0.282 161 P C -1.064 176.214 177.300 -0.035 0.000 1.259 161 P CA -0.481 62.610 63.100 -0.016 0.000 0.826 161 P CB 1.864 33.565 31.700 0.001 0.000 1.064 162 L N 1.655 122.862 121.223 -0.027 0.000 2.334 162 L HA 0.362 4.701 4.340 -0.001 0.000 0.277 162 L C 0.324 177.196 176.870 0.003 0.000 1.075 162 L CA -0.899 53.921 54.840 -0.033 0.000 0.804 162 L CB 0.550 42.595 42.059 -0.022 0.000 1.174 162 L HN 0.234 nan 8.230 nan 0.000 0.438 163 L N 1.312 122.543 121.223 0.013 0.000 2.330 163 L HA 0.410 4.750 4.340 -0.001 0.000 0.271 163 L C 0.291 177.193 176.870 0.054 0.000 1.013 163 L CA -0.115 54.751 54.840 0.044 0.000 0.816 163 L CB 1.940 44.036 42.059 0.061 0.000 1.287 163 L HN 0.643 nan 8.230 nan 0.000 0.435 164 S N -0.034 115.705 115.700 0.065 0.000 2.565 164 S HA 0.185 4.654 4.470 -0.001 0.000 0.276 164 S C 0.795 175.443 174.600 0.080 0.000 1.326 164 S CA -0.504 57.735 58.200 0.064 0.000 1.045 164 S CB 0.494 63.728 63.200 0.058 0.000 0.918 164 S HN 0.570 nan 8.310 nan 0.000 0.505 165 N N 1.999 120.745 118.700 0.077 0.000 2.258 165 N HA -0.088 4.652 4.740 -0.001 0.000 0.187 165 N C 1.542 177.113 175.510 0.101 0.000 1.012 165 N CA 1.707 54.812 53.050 0.091 0.000 0.870 165 N CB -0.649 37.886 38.487 0.080 0.000 0.977 165 N HN 0.778 nan 8.380 nan 0.000 0.434 166 T N 0.493 115.097 114.554 0.082 0.000 2.737 166 T HA -0.038 4.312 4.350 -0.001 0.000 0.265 166 T C 1.506 176.257 174.700 0.085 0.000 1.038 166 T CA 0.953 63.097 62.100 0.074 0.000 1.144 166 T CB -0.180 68.720 68.868 0.054 0.000 0.866 166 T HN 0.318 nan 8.240 nan 0.000 0.434 167 N N 0.705 119.463 118.700 0.096 0.000 2.188 167 N HA -0.064 4.676 4.740 -0.001 0.000 0.184 167 N C 2.151 177.784 175.510 0.206 0.000 1.018 167 N CA 0.673 53.793 53.050 0.117 0.000 0.858 167 N CB -0.854 37.708 38.487 0.125 0.000 0.989 167 N HN 0.347 nan 8.380 nan 0.000 0.426 168 c N 1.916 120.651 118.600 0.225 0.000 2.411 168 c HA -0.038 4.531 4.570 -0.001 0.000 0.279 168 c C 2.321 176.622 174.090 0.351 0.000 1.288 168 c CA 0.749 57.269 56.329 0.318 0.000 1.764 168 c CB -0.809 41.837 42.510 0.226 0.000 1.974 168 c HN 0.378 nan 8.230 nan 0.000 0.498 169 K N 0.142 120.680 120.400 0.231 0.000 2.283 169 K HA -0.089 4.231 4.320 -0.001 0.000 0.202 169 K C 1.955 178.630 176.600 0.126 0.000 1.048 169 K CA 1.016 57.425 56.287 0.203 0.000 0.948 169 K CB -0.087 32.496 32.500 0.139 0.000 0.742 169 K HN 0.567 nan 8.250 nan 0.000 0.458 170 K N -0.438 119.991 120.400 0.047 0.000 2.362 170 K HA -0.121 4.199 4.320 -0.001 0.000 0.200 170 K C 1.236 177.678 176.600 -0.263 0.000 1.046 170 K CA 1.133 57.341 56.287 -0.132 0.000 0.952 170 K CB 0.065 32.419 32.500 -0.243 0.000 0.753 170 K HN 0.194 nan 8.250 nan 0.000 0.466 171 Y N -1.970 118.279 120.300 -0.086 0.000 2.353 171 Y HA -0.010 4.540 4.550 -0.001 0.000 0.294 171 Y C 1.184 176.824 175.900 -0.433 0.000 1.135 171 Y CA 0.530 58.435 58.100 -0.324 0.000 1.176 171 Y CB 0.212 38.414 38.460 -0.429 0.000 1.124 171 Y HN 0.052 nan 8.280 nan 0.000 0.537 172 W N -0.060 121.384 121.300 0.240 0.000 3.008 172 W HA 0.466 5.126 4.660 -0.001 0.000 0.355 172 W C 1.298 177.914 176.519 0.161 0.000 1.095 172 W CA 0.461 57.938 57.345 0.220 0.000 1.738 172 W CB 0.151 29.794 29.460 0.306 0.000 1.091 172 W HN 0.210 nan 8.180 nan 0.000 0.574 173 G N 1.424 110.389 108.800 0.276 0.000 2.547 173 G HA2 -0.433 3.527 3.960 -0.001 0.000 0.271 173 G HA3 -0.433 3.527 3.960 -0.001 0.000 0.271 173 G C 0.907 175.923 174.900 0.193 0.000 1.209 173 G CA 1.180 46.390 45.100 0.184 0.000 0.959 173 G HN 0.353 nan 8.290 nan 0.000 0.563 174 T N -1.243 113.396 114.554 0.142 0.000 3.252 174 T HA 0.317 4.666 4.350 -0.001 0.000 0.250 174 T C 1.670 176.443 174.700 0.121 0.000 1.123 174 T CA 1.347 63.517 62.100 0.116 0.000 1.006 174 T CB 0.206 69.117 68.868 0.071 0.000 0.992 174 T HN 0.447 nan 8.240 nan 0.000 0.547 175 K N 0.868 121.373 120.400 0.175 0.000 2.366 175 K HA 0.177 4.497 4.320 -0.001 0.000 0.198 175 K C 0.596 177.321 176.600 0.209 0.000 1.044 175 K CA 0.134 56.504 56.287 0.138 0.000 0.973 175 K CB 0.000 32.578 32.500 0.131 0.000 0.767 175 K HN 0.437 nan 8.250 nan 0.000 0.475 176 I N 3.286 124.004 120.570 0.246 0.000 2.347 176 I HA 0.002 4.171 4.170 -0.001 0.000 0.294 176 I C 0.715 176.918 176.117 0.143 0.000 1.090 176 I CA -0.007 61.422 61.300 0.215 0.000 1.314 176 I CB 0.135 38.261 38.000 0.209 0.000 1.423 176 I HN -0.177 nan 8.210 nan 0.000 0.503 177 K N 4.566 125.042 120.400 0.127 0.000 2.399 177 K HA 0.234 4.554 4.320 -0.001 0.000 0.247 177 K C 0.639 177.287 176.600 0.080 0.000 1.036 177 K CA -0.617 55.723 56.287 0.088 0.000 0.977 177 K CB 0.770 33.313 32.500 0.073 0.000 1.272 177 K HN 0.278 nan 8.250 nan 0.000 0.501 178 D N 0.390 120.828 120.400 0.064 0.000 2.224 178 D HA -0.031 4.608 4.640 -0.001 0.000 0.205 178 D C 0.802 177.138 176.300 0.061 0.000 0.965 178 D CA 0.819 54.854 54.000 0.059 0.000 0.852 178 D CB 0.033 40.862 40.800 0.048 0.000 0.947 178 D HN 0.513 nan 8.370 nan 0.000 0.494 179 A N -0.045 122.813 122.820 0.062 0.000 2.412 179 A HA 0.305 4.625 4.320 -0.001 0.000 0.253 179 A C 0.411 178.041 177.584 0.076 0.000 1.334 179 A CA 0.003 52.078 52.037 0.063 0.000 0.929 179 A CB -0.487 18.546 19.000 0.055 0.000 0.983 179 A HN 0.072 nan 8.150 nan 0.000 0.508 180 M N -0.315 119.330 119.600 0.076 0.000 2.446 180 M HA 0.581 5.060 4.480 -0.001 0.000 0.294 180 M C -1.102 175.229 176.300 0.052 0.000 1.158 180 M CA -0.289 55.053 55.300 0.071 0.000 0.899 180 M CB 2.660 35.315 32.600 0.091 0.000 1.687 180 M HN 0.262 nan 8.290 nan 0.000 0.455 181 I N 1.133 121.728 120.570 0.042 0.000 2.647 181 I HA 0.629 4.798 4.170 -0.001 0.000 0.295 181 I C -1.448 174.699 176.117 0.050 0.000 1.078 181 I CA -0.425 60.895 61.300 0.033 0.000 1.048 181 I CB 1.598 39.598 38.000 0.001 0.000 1.239 181 I HN 0.790 nan 8.210 nan 0.000 0.421 182 c N 5.684 124.306 118.600 0.036 0.000 2.454 182 c HA 1.005 5.575 4.570 -0.001 0.000 0.336 182 c C 0.085 174.187 174.090 0.021 0.000 1.189 182 c CA -0.371 55.992 56.329 0.056 0.000 1.877 182 c CB 0.782 43.315 42.510 0.039 0.000 2.348 182 c HN 0.857 nan 8.230 nan 0.000 0.508 183 A N 1.262 124.119 122.820 0.060 0.000 2.574 183 A HA 0.969 5.288 4.320 -0.001 0.000 0.297 183 A C -0.133 177.470 177.584 0.031 0.000 1.062 183 A CA 0.430 52.449 52.037 -0.030 0.000 0.686 183 A CB 1.085 19.941 19.000 -0.239 0.000 1.285 183 A HN 2.531 nan 8.150 nan 0.000 0.403 184 G N -0.118 108.673 108.800 -0.015 0.000 2.358 184 G HA2 0.528 4.487 3.960 -0.001 0.000 0.198 184 G HA3 0.528 4.487 3.960 -0.001 0.000 0.198 184 G C 0.780 175.647 174.900 -0.056 0.000 1.220 184 G CA 1.355 46.445 45.100 -0.017 0.000 1.187 184 G HN 2.607 nan 8.290 nan 0.000 0.544 185 A N -1.812 120.957 122.820 -0.085 0.000 2.832 185 A HA 0.126 4.446 4.320 -0.001 0.000 0.280 185 A C 1.593 179.149 177.584 -0.046 0.000 1.464 185 A CA 2.741 54.706 52.037 -0.120 0.000 0.804 185 A CB -2.101 16.743 19.000 -0.261 0.000 1.020 185 A HN 2.636 nan 8.150 nan 0.000 0.563 186 S N -3.049 112.636 115.700 -0.024 0.000 2.701 186 S HA 0.525 4.994 4.470 -0.001 0.000 0.242 186 S C 1.643 176.244 174.600 0.003 0.000 1.025 186 S CA 1.107 59.304 58.200 -0.004 0.000 1.016 186 S CB 0.601 63.800 63.200 -0.002 0.000 0.977 186 S HN 2.454 nan 8.310 nan 0.000 0.546 187 G N 0.692 109.493 108.800 0.001 0.000 2.336 187 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.194 187 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.194 187 G C 0.014 174.919 174.900 0.008 0.000 0.999 187 G CA -0.040 45.065 45.100 0.007 0.000 0.669 187 G HN 1.446 nan 8.290 nan 0.000 0.482 188 V N -1.778 118.139 119.914 0.005 0.000 3.103 188 V HA 0.983 5.103 4.120 -0.001 0.000 0.318 188 V C -0.058 176.041 176.094 0.008 0.000 1.114 188 V CA -0.235 62.069 62.300 0.007 0.000 1.020 188 V CB 1.783 33.608 31.823 0.004 0.000 1.085 188 V HN 1.452 nan 8.190 nan 0.000 0.446 189 S N 0.284 115.991 115.700 0.012 0.000 2.570 189 S HA 0.514 4.983 4.470 -0.001 0.000 0.286 189 S C -0.521 174.088 174.600 0.014 0.000 1.143 189 S CA -0.326 57.882 58.200 0.013 0.000 0.921 189 S CB 1.670 64.874 63.200 0.006 0.000 1.108 189 S HN 1.198 nan 8.310 nan 0.000 0.456 190 S N 2.058 117.763 115.700 0.008 0.000 2.589 190 S HA 0.637 5.107 4.470 -0.001 0.000 0.265 190 S C -0.040 174.563 174.600 0.004 0.000 1.342 190 S CA -0.289 57.911 58.200 0.000 0.000 1.005 190 S CB 0.956 64.130 63.200 -0.042 0.000 0.909 190 S HN 0.890 nan 8.310 nan 0.000 0.555 191 c N 1.170 119.789 118.600 0.031 0.000 3.332 191 c HA 0.520 5.090 4.570 -0.001 0.000 0.329 191 c C -0.964 173.184 174.090 0.096 0.000 1.434 191 c CA -0.885 55.483 56.329 0.064 0.000 1.314 191 c CB 0.866 43.431 42.510 0.091 0.000 1.664 191 c HN 0.848 nan 8.230 nan 0.000 0.457 192 M N 2.367 122.046 119.600 0.132 0.000 2.256 192 M HA 0.298 4.777 4.480 -0.001 0.000 0.392 192 M C 1.328 177.721 176.300 0.155 0.000 1.406 192 M CA 2.057 57.449 55.300 0.154 0.000 0.861 192 M CB -0.641 32.072 32.600 0.189 0.000 1.977 192 M HN 1.234 nan 8.290 nan 0.000 0.492 193 G N 2.165 111.054 108.800 0.148 0.000 2.213 193 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.226 193 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.226 193 G C 0.712 175.725 174.900 0.189 0.000 0.992 193 G CA 0.141 45.334 45.100 0.156 0.000 0.632 193 G HN 0.630 nan 8.290 nan 0.000 0.511 194 D N 0.969 121.450 120.400 0.135 0.000 2.333 194 D HA 0.216 4.855 4.640 -0.001 0.000 0.208 194 D C 1.435 177.777 176.300 0.070 0.000 0.984 194 D CA 0.691 54.753 54.000 0.104 0.000 0.873 194 D CB 0.095 40.928 40.800 0.055 0.000 0.935 194 D HN 0.340 nan 8.370 nan 0.000 0.521 195 S N -0.522 115.223 115.700 0.075 0.000 2.573 195 S HA 0.249 4.718 4.470 -0.001 0.000 0.297 195 S C 1.574 176.159 174.600 -0.026 0.000 1.280 195 S CA 0.955 59.193 58.200 0.062 0.000 1.061 195 S CB 0.716 64.001 63.200 0.142 0.000 0.812 195 S HN 0.487 nan 8.310 nan 0.000 0.500 196 G N 2.319 111.100 108.800 -0.032 0.000 2.267 196 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.257 196 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.257 196 G C 0.493 175.408 174.900 0.025 0.000 0.998 196 G CA 0.112 45.191 45.100 -0.035 0.000 0.620 196 G HN 1.157 nan 8.290 nan 0.000 0.529 197 G N 1.020 109.846 108.800 0.043 0.000 2.667 197 G HA2 0.531 4.490 3.960 -0.001 0.000 0.250 197 G HA3 0.531 4.490 3.960 -0.001 0.000 0.250 197 G C -1.612 173.324 174.900 0.059 0.000 1.212 197 G CA 0.079 45.211 45.100 0.053 0.000 0.874 197 G HN 0.449 nan 8.290 nan 0.000 0.561 198 P HA 0.408 nan 4.420 nan 0.000 0.283 198 P C -1.197 176.077 177.300 -0.044 0.000 1.278 198 P CA -0.672 62.438 63.100 0.016 0.000 0.834 198 P CB 2.068 33.801 31.700 0.056 0.000 1.150 199 L N 2.224 123.386 121.223 -0.103 0.000 2.471 199 L HA 0.376 4.716 4.340 -0.001 0.000 0.263 199 L C -1.018 175.736 176.870 -0.195 0.000 0.985 199 L CA -0.824 53.877 54.840 -0.232 0.000 0.868 199 L CB 0.967 42.748 42.059 -0.462 0.000 1.203 199 L HN 0.189 nan 8.230 nan 0.000 0.429 200 V N 1.210 121.061 119.914 -0.106 0.000 2.628 200 V HA 0.814 4.934 4.120 -0.001 0.000 0.306 200 V C -0.219 176.012 176.094 0.228 0.000 1.045 200 V CA -0.582 61.743 62.300 0.043 0.000 0.905 200 V CB 1.279 33.214 31.823 0.187 0.000 0.997 200 V HN 0.780 nan 8.190 nan 0.000 0.436 201 c N 3.466 122.135 118.600 0.115 0.000 2.507 201 c HA 0.634 5.203 4.570 -0.001 0.000 0.319 201 c C 0.040 174.067 174.090 -0.105 0.000 1.208 201 c CA -0.843 55.522 56.329 0.060 0.000 1.619 201 c CB 1.298 43.788 42.510 -0.034 0.000 2.230 201 c HN 1.061 nan 8.230 nan 0.000 0.492 202 K N 2.252 122.352 120.400 -0.500 0.000 2.276 202 K HA 0.397 4.717 4.320 -0.001 0.000 0.285 202 K C -0.566 175.844 176.600 -0.317 0.000 1.062 202 K CA 0.042 55.862 56.287 -0.779 0.000 0.918 202 K CB 0.368 32.108 32.500 -1.267 0.000 1.055 202 K HN 0.697 nan 8.250 nan 0.000 0.477 203 K N 3.532 123.812 120.400 -0.201 0.000 2.443 203 K HA 0.200 4.520 4.320 -0.001 0.000 0.252 203 K C -0.773 175.762 176.600 -0.108 0.000 0.933 203 K CA -0.583 55.645 56.287 -0.099 0.000 0.792 203 K CB 0.986 33.488 32.500 0.003 0.000 1.185 203 K HN 0.701 nan 8.250 nan 0.000 0.425 204 N N 2.373 121.013 118.700 -0.101 0.000 2.708 204 N HA -0.231 4.508 4.740 -0.001 0.000 0.249 204 N C 0.417 175.878 175.510 -0.082 0.000 1.097 204 N CA 1.551 54.553 53.050 -0.081 0.000 0.710 204 N CB -1.025 37.422 38.487 -0.066 0.000 1.032 204 N HN 1.094 nan 8.380 nan 0.000 0.551 205 G N -2.448 106.283 108.800 -0.116 0.000 2.175 205 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.244 205 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.244 205 G C 0.049 174.882 174.900 -0.112 0.000 0.982 205 G CA 0.667 45.703 45.100 -0.106 0.000 0.641 205 G HN 1.231 nan 8.290 nan 0.000 0.527 206 A N -0.992 121.744 122.820 -0.140 0.000 2.454 206 A HA 0.707 5.027 4.320 -0.001 0.000 0.302 206 A C -0.762 176.721 177.584 -0.169 0.000 1.079 206 A CA -0.725 51.262 52.037 -0.083 0.000 0.731 206 A CB 0.904 19.899 19.000 -0.007 0.000 1.299 206 A HN 0.675 nan 8.150 nan 0.000 0.413 207 W N 1.288 122.595 121.300 0.011 0.000 2.311 207 W HA 0.485 5.145 4.660 -0.000 0.000 0.310 207 W C 0.058 176.452 176.519 -0.209 0.000 1.274 207 W CA 0.596 57.917 57.345 -0.040 0.000 1.215 207 W CB 1.423 30.921 29.460 0.063 0.000 1.227 207 W HN 0.558 nan 8.180 nan 0.000 0.523 208 T N 4.722 119.301 114.554 0.041 0.000 2.807 208 T HA 0.295 4.644 4.350 -0.001 0.000 0.279 208 T C -0.887 173.735 174.700 -0.129 0.000 0.993 208 T CA -0.792 61.278 62.100 -0.049 0.000 0.970 208 T CB 1.141 70.047 68.868 0.062 0.000 0.950 208 T HN 0.169 nan 8.240 nan 0.000 0.441 209 L N 5.454 126.566 121.223 -0.185 0.000 2.407 209 L HA 0.350 4.689 4.340 -0.001 0.000 0.282 209 L C 0.974 177.717 176.870 -0.212 0.000 1.110 209 L CA 0.269 54.993 54.840 -0.194 0.000 0.863 209 L CB 0.343 42.299 42.059 -0.173 0.000 1.207 209 L HN 0.584 nan 8.230 nan 0.000 0.454 210 V N 3.621 123.344 119.914 -0.318 0.000 3.621 210 V HA 0.636 4.755 4.120 -0.001 0.000 0.263 210 V C 0.623 176.563 176.094 -0.257 0.000 1.272 210 V CA 0.832 62.873 62.300 -0.433 0.000 1.080 210 V CB 0.158 31.417 31.823 -0.939 0.000 0.816 210 V HN 0.758 nan 8.190 nan 0.000 0.451 211 G N -0.072 108.608 108.800 -0.199 0.000 2.690 211 G HA2 0.680 4.640 3.960 -0.001 0.000 0.293 211 G HA3 0.680 4.640 3.960 -0.001 0.000 0.293 211 G C -1.644 173.273 174.900 0.029 0.000 1.399 211 G CA -0.764 44.284 45.100 -0.086 0.000 0.890 211 G HN 0.191 nan 8.290 nan 0.000 0.485 212 I N 1.247 121.900 120.570 0.139 0.000 2.418 212 I HA 0.221 4.390 4.170 -0.001 0.000 0.287 212 I C 0.104 176.338 176.117 0.194 0.000 1.008 212 I CA -1.041 60.343 61.300 0.141 0.000 1.104 212 I CB 2.221 40.272 38.000 0.085 0.000 1.264 212 I HN 0.139 nan 8.210 nan 0.000 0.438 213 V N 5.498 125.515 119.914 0.172 0.000 2.506 213 V HA -0.071 4.048 4.120 -0.001 0.000 0.296 213 V C 0.881 176.945 176.094 -0.050 0.000 1.004 213 V CA 0.784 63.038 62.300 -0.077 0.000 1.150 213 V CB 0.587 32.396 31.823 -0.024 0.000 0.911 213 V HN 0.965 nan 8.190 nan 0.000 0.476 214 S N 5.012 120.598 115.700 -0.190 0.000 3.200 214 S HA 0.376 4.846 4.470 -0.001 0.000 0.209 214 S C -0.026 174.598 174.600 0.040 0.000 0.869 214 S CA 0.032 58.271 58.200 0.065 0.000 0.820 214 S CB 0.540 63.789 63.200 0.081 0.000 0.834 214 S HN 0.886 nan 8.310 nan 0.000 0.622 215 W N -0.273 120.840 121.300 -0.312 0.000 2.988 215 W HA 0.648 5.307 4.660 -0.001 0.000 0.355 215 W C -0.280 176.005 176.519 -0.390 0.000 1.233 215 W CA -0.450 56.692 57.345 -0.339 0.000 1.176 215 W CB 0.272 29.511 29.460 -0.369 0.000 1.477 215 W HN 0.587 nan 8.180 nan 0.000 0.582 216 G N 0.137 108.877 108.800 -0.099 0.000 2.348 216 G HA2 0.326 4.285 3.960 -0.001 0.000 0.296 216 G HA3 0.326 4.285 3.960 -0.001 0.000 0.296 216 G C -1.212 173.795 174.900 0.179 0.000 1.258 216 G CA -0.363 44.614 45.100 -0.204 0.000 0.868 216 G HN 0.725 nan 8.290 nan 0.000 0.488 217 S N -0.225 115.689 115.700 0.356 0.000 2.593 217 S HA 0.235 4.705 4.470 -0.001 0.000 0.300 217 S C 1.938 176.592 174.600 0.090 0.000 1.267 217 S CA 0.839 59.232 58.200 0.321 0.000 1.065 217 S CB 0.465 63.758 63.200 0.155 0.000 0.807 217 S HN 1.727 nan 8.310 nan 0.000 0.499 218 S N 2.702 118.438 115.700 0.059 0.000 2.507 218 S HA -0.070 4.399 4.470 -0.001 0.000 0.235 218 S C 1.266 175.603 174.600 -0.438 0.000 0.988 218 S CA 1.041 59.190 58.200 -0.085 0.000 0.944 218 S CB -0.571 62.620 63.200 -0.014 0.000 0.762 218 S HN 0.955 nan 8.310 nan 0.000 0.526 219 T N -3.073 111.201 114.554 -0.466 0.000 3.252 219 T HA 0.321 4.670 4.350 -0.001 0.000 0.286 219 T C 0.444 174.886 174.700 -0.430 0.000 1.013 219 T CA 0.056 61.605 62.100 -0.918 0.000 0.914 219 T CB -1.259 67.330 68.868 -0.465 0.000 1.131 219 T HN 0.426 nan 8.240 nan 0.000 0.529 220 c N 1.643 120.106 118.600 -0.229 0.000 4.167 220 c HA -0.153 4.417 4.570 -0.001 0.000 0.302 220 c C 1.009 175.082 174.090 -0.028 0.000 1.384 220 c CA 0.321 56.610 56.329 -0.067 0.000 2.041 220 c CB -3.313 39.195 42.510 -0.004 0.000 1.303 220 c HN 0.873 nan 8.230 nan 0.000 0.718 221 S N 0.875 116.556 115.700 -0.031 0.000 2.509 221 S HA 0.276 4.745 4.470 -0.001 0.000 0.287 221 S C 1.549 176.143 174.600 -0.010 0.000 1.248 221 S CA 0.599 58.791 58.200 -0.014 0.000 1.089 221 S CB 0.652 63.841 63.200 -0.018 0.000 0.900 221 S HN 0.915 nan 8.310 nan 0.000 0.496 222 T N 1.410 115.964 114.554 -0.001 0.000 3.163 222 T HA -0.034 4.315 4.350 -0.001 0.000 0.260 222 T C 1.196 175.885 174.700 -0.018 0.000 1.156 222 T CA 0.809 62.907 62.100 -0.004 0.000 1.072 222 T CB -0.333 68.540 68.868 0.008 0.000 0.937 222 T HN 0.624 nan 8.240 nan 0.000 0.528 223 S N -0.551 115.134 115.700 -0.024 0.000 2.602 223 S HA 0.324 4.794 4.470 -0.001 0.000 0.240 223 S C 0.142 174.686 174.600 -0.093 0.000 0.992 223 S CA -0.696 57.486 58.200 -0.031 0.000 0.971 223 S CB 0.158 63.363 63.200 0.009 0.000 0.855 223 S HN 0.313 nan 8.310 nan 0.000 0.481 224 T N 5.230 119.699 114.554 -0.141 0.000 2.824 224 T HA 0.521 4.871 4.350 -0.001 0.000 0.282 224 T C -3.024 171.534 174.700 -0.237 0.000 0.993 224 T CA -1.516 60.420 62.100 -0.275 0.000 0.967 224 T CB 2.039 70.827 68.868 -0.134 0.000 0.960 224 T HN 0.123 nan 8.240 nan 0.000 0.441 225 P HA 0.233 nan 4.420 nan 0.000 0.268 225 P C 0.081 177.402 177.300 0.035 0.000 1.205 225 P CA -0.149 62.855 63.100 -0.160 0.000 0.771 225 P CB 0.617 32.184 31.700 -0.222 0.000 0.858 226 G N 1.680 110.467 108.800 -0.021 0.000 2.425 226 G HA2 0.481 4.440 3.960 -0.001 0.000 0.302 226 G HA3 0.481 4.440 3.960 -0.001 0.000 0.302 226 G C -0.753 173.927 174.900 -0.367 0.000 1.159 226 G CA -0.527 44.451 45.100 -0.202 0.000 0.865 226 G HN 0.366 nan 8.290 nan 0.000 0.515 227 V N 1.268 120.654 119.914 -0.879 0.000 2.435 227 V HA 0.469 4.589 4.120 -0.001 0.000 0.290 227 V C -1.049 174.549 176.094 -0.826 0.000 1.030 227 V CA -0.652 61.094 62.300 -0.923 0.000 0.881 227 V CB 0.833 31.521 31.823 -1.891 0.000 0.983 227 V HN 0.603 nan 8.190 nan 0.000 0.445 228 Y N 1.590 121.703 120.300 -0.312 0.000 2.499 228 Y HA 0.723 5.273 4.550 -0.001 0.000 0.347 228 Y C 0.498 176.345 175.900 -0.088 0.000 0.987 228 Y CA -1.048 56.954 58.100 -0.163 0.000 1.044 228 Y CB 1.711 40.092 38.460 -0.132 0.000 1.245 228 Y HN 0.731 nan 8.280 nan 0.000 0.461 229 A N 2.958 125.844 122.820 0.110 0.000 2.488 229 A HA 0.253 4.573 4.320 -0.001 0.000 0.249 229 A C 0.363 177.995 177.584 0.079 0.000 1.083 229 A CA -0.449 51.645 52.037 0.096 0.000 0.768 229 A CB -0.038 19.017 19.000 0.091 0.000 1.017 229 A HN 0.808 nan 8.150 nan 0.000 0.496 230 R N 3.536 124.075 120.500 0.064 0.000 2.248 230 R HA 0.268 4.608 4.340 -0.001 0.000 0.337 230 R C 0.490 176.815 176.300 0.043 0.000 1.085 230 R CA -0.341 55.784 56.100 0.041 0.000 0.934 230 R CB 0.190 30.520 30.300 0.049 0.000 1.034 230 R HN 0.569 nan 8.270 nan 0.000 0.465 231 V N 3.284 123.210 119.914 0.020 0.000 2.392 231 V HA -0.294 3.825 4.120 -0.001 0.000 0.249 231 V C 2.397 178.526 176.094 0.058 0.000 1.059 231 V CA 2.426 64.746 62.300 0.034 0.000 1.051 231 V CB -0.755 31.064 31.823 -0.006 0.000 0.658 231 V HN 0.931 nan 8.190 nan 0.000 0.455 232 T N -0.698 113.898 114.554 0.070 0.000 2.803 232 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 232 T C 1.656 176.405 174.700 0.082 0.000 1.052 232 T CA 1.406 63.565 62.100 0.098 0.000 1.136 232 T CB -0.432 68.522 68.868 0.144 0.000 0.864 232 T HN 0.517 nan 8.240 nan 0.000 0.467 233 A N 0.227 123.092 122.820 0.076 0.000 2.278 233 A HA 0.579 4.898 4.320 -0.001 0.000 0.212 233 A C 1.778 179.411 177.584 0.081 0.000 1.213 233 A CA 0.108 52.188 52.037 0.071 0.000 0.840 233 A CB -0.436 18.601 19.000 0.062 0.000 0.866 233 A HN 0.587 nan 8.150 nan 0.000 0.489 234 L N -1.183 120.100 121.223 0.100 0.000 3.360 234 L HA 0.062 4.402 4.340 -0.001 0.000 0.303 234 L C 1.750 178.740 176.870 0.201 0.000 1.218 234 L CA 0.127 55.058 54.840 0.152 0.000 1.059 234 L CB 0.534 42.676 42.059 0.139 0.000 1.468 234 L HN 0.203 nan 8.230 nan 0.000 0.614 235 V N -2.513 117.474 119.914 0.121 0.000 2.407 235 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 235 V C 2.151 178.275 176.094 0.051 0.000 1.055 235 V CA 1.757 64.101 62.300 0.073 0.000 1.049 235 V CB -0.792 31.054 31.823 0.038 0.000 0.662 235 V HN 0.454 nan 8.190 nan 0.000 0.455 236 N N -0.234 118.511 118.700 0.074 0.000 2.061 236 N HA -0.243 4.497 4.740 -0.001 0.000 0.193 236 N C 1.511 177.051 175.510 0.050 0.000 1.030 236 N CA 2.255 55.334 53.050 0.048 0.000 0.856 236 N CB -0.515 38.012 38.487 0.067 0.000 1.023 236 N HN 0.799 nan 8.380 nan 0.000 0.424 237 W N 2.389 123.673 121.300 -0.027 0.000 2.335 237 W HA -0.141 4.518 4.660 -0.001 0.000 0.311 237 W C 2.081 178.557 176.519 -0.073 0.000 1.213 237 W CA 1.045 58.373 57.345 -0.029 0.000 1.274 237 W CB -0.548 28.913 29.460 0.001 0.000 1.148 237 W HN -0.232 nan 8.180 nan 0.000 0.498 238 V N 1.194 121.001 119.914 -0.179 0.000 2.287 238 V HA -0.359 3.761 4.120 -0.001 0.000 0.248 238 V C 2.605 178.388 176.094 -0.519 0.000 1.053 238 V CA 2.234 64.263 62.300 -0.451 0.000 1.027 238 V CB -1.139 30.603 31.823 -0.134 0.000 0.646 238 V HN 0.220 nan 8.190 nan 0.000 0.447 239 Q N -0.091 119.519 119.800 -0.317 0.000 2.050 239 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 239 Q C 2.322 178.123 176.000 -0.332 0.000 0.980 239 Q CA 1.765 57.394 55.803 -0.291 0.000 0.840 239 Q CB -0.453 28.186 28.738 -0.164 0.000 0.898 239 Q HN 0.733 nan 8.270 nan 0.000 0.424 240 Q N -0.362 119.255 119.800 -0.305 0.000 2.124 240 Q HA -0.104 4.235 4.340 -0.001 0.000 0.202 240 Q C 2.059 177.832 176.000 -0.377 0.000 0.977 240 Q CA 1.620 57.261 55.803 -0.269 0.000 0.850 240 Q CB -0.187 28.441 28.738 -0.183 0.000 0.901 240 Q HN 0.349 nan 8.270 nan 0.000 0.429 241 T N 1.675 115.860 114.554 -0.614 0.000 2.746 241 T HA -0.083 4.266 4.350 -0.001 0.000 0.267 241 T C 1.906 176.157 174.700 -0.749 0.000 1.039 241 T CA 0.847 62.516 62.100 -0.719 0.000 1.142 241 T CB -0.151 68.065 68.868 -1.086 0.000 0.866 241 T HN 0.179 nan 8.240 nan 0.000 0.444 242 L N 0.773 121.477 121.223 -0.864 0.000 2.056 242 L HA -0.058 4.282 4.340 -0.001 0.000 0.207 242 L C 3.111 179.739 176.870 -0.403 0.000 1.078 242 L CA 1.303 55.619 54.840 -0.873 0.000 0.749 242 L CB -0.829 40.723 42.059 -0.845 0.000 0.901 242 L HN 0.246 nan 8.230 nan 0.000 0.433 243 A N 0.079 122.712 122.820 -0.312 0.000 1.933 243 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 243 A C 2.397 179.911 177.584 -0.116 0.000 1.175 243 A CA 1.813 53.746 52.037 -0.174 0.000 0.628 243 A CB -0.483 18.428 19.000 -0.149 0.000 0.814 243 A HN 0.424 nan 8.150 nan 0.000 0.444 244 A N -1.348 121.391 122.820 -0.136 0.000 2.147 244 A HA 0.189 4.509 4.320 -0.001 0.000 0.211 244 A C 1.021 178.603 177.584 -0.003 0.000 1.160 244 A CA 0.167 52.169 52.037 -0.058 0.000 0.781 244 A CB -0.035 18.935 19.000 -0.050 0.000 0.842 244 A HN 0.511 nan 8.150 nan 0.000 0.475 245 N N 0.000 118.690 118.700 -0.016 0.000 1.763 245 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 245 N CA 0.000 53.126 53.050 0.127 0.000 0.885 245 N CB 0.000 38.584 38.487 0.161 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667