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 3fmc_1_C DATA FIRST_RESID 2 DATA SEQUENCE RVDKHEVRVG ELAAGQPLSL PVYRFKGKGA GPSVYIQANV HGAEVQGNAV DATA SEQUENCE IYQLXKLLEH YELLGDISLV PLANPLGINQ KSGEFTLGRF DPITGVNWNR DATA SEQUENCE EYLDHGFNIE VWYQEHSHLD DDTLITAFRA TLVEECARRL NNPWGVTTGH DATA SEQUENCE RLAVTLQSXA HRADIVLDLH TGPKSCKHLY CPEYERSAAQ YFSIPYTLLI DATA SEQUENCE PNSFGGAXDE AAFVPWWTLA EVASSHGREL GVRVSALTLE LGSQERIDLD DATA SEQUENCE DALEDAEGIL AYLSHRGVIA ETVLPKPXKR YGCFLKNYRK FHAPKAGXVE DATA SEQUENCE YLGKVGVPXK ATDPLVNLLR LDLYGTGEEL TVLRLPEDGV PILHFASASV DATA SEQUENCE HQGTELYKVX TKVFEL 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.205 176.300 -0.159 0.000 0.893 2 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 2 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 3 V N 2.895 122.640 119.914 -0.283 0.000 2.427 3 V HA 0.477 4.597 4.120 0.000 0.000 0.286 3 V C -0.603 175.370 176.094 -0.201 0.000 1.034 3 V CA -0.629 61.373 62.300 -0.497 0.000 0.893 3 V CB 1.361 32.805 31.823 -0.631 0.000 0.982 3 V HN 0.418 nan 8.190 nan 0.000 0.452 4 D N 3.370 123.683 120.400 -0.145 0.000 2.185 4 D HA 0.421 5.061 4.640 0.000 0.000 0.247 4 D C -0.579 175.720 176.300 -0.002 0.000 1.027 4 D CA -0.528 53.448 54.000 -0.041 0.000 0.861 4 D CB 1.806 42.596 40.800 -0.017 0.000 1.202 4 D HN 0.570 nan 8.370 nan 0.000 0.453 5 K N 2.267 122.664 120.400 -0.006 0.000 2.259 5 K HA 0.392 4.712 4.320 0.000 0.000 0.252 5 K C -0.971 175.619 176.600 -0.017 0.000 0.936 5 K CA -0.694 55.525 56.287 -0.112 0.000 0.810 5 K CB 1.099 33.511 32.500 -0.145 0.000 1.143 5 K HN 0.713 nan 8.250 nan 0.000 0.427 6 H N 0.815 119.770 119.070 -0.192 0.000 3.016 6 H HA 0.391 4.947 4.556 0.000 0.000 0.362 6 H C -1.404 173.836 175.328 -0.146 0.000 1.233 6 H CA -0.868 55.103 56.048 -0.127 0.000 1.124 6 H CB 1.510 31.227 29.762 -0.076 0.000 1.850 6 H HN 0.550 nan 8.280 nan 0.000 0.549 7 E N 1.337 121.485 120.200 -0.087 0.000 2.195 7 E HA 0.480 4.830 4.350 0.000 0.000 0.271 7 E C -0.827 175.740 176.600 -0.055 0.000 0.923 7 E CA -1.241 55.075 56.400 -0.141 0.000 0.790 7 E CB 3.235 32.885 29.700 -0.083 0.000 1.155 7 E HN 0.260 nan 8.360 nan 0.000 0.402 8 V N 2.798 122.655 119.914 -0.096 0.000 2.487 8 V HA 0.286 4.406 4.120 0.000 0.000 0.298 8 V C -0.130 175.943 176.094 -0.036 0.000 1.028 8 V CA -0.832 61.453 62.300 -0.026 0.000 0.860 8 V CB 1.698 33.505 31.823 -0.028 0.000 0.991 8 V HN 0.534 nan 8.190 nan 0.000 0.427 9 R N 3.274 123.764 120.500 -0.016 0.000 2.389 9 R HA 0.415 4.755 4.340 0.000 0.000 0.295 9 R C 0.483 176.766 176.300 -0.028 0.000 1.075 9 R CA 0.267 56.352 56.100 -0.024 0.000 1.005 9 R CB 1.165 31.457 30.300 -0.012 0.000 0.987 9 R HN 0.651 nan 8.270 nan 0.000 0.452 10 V N 0.756 120.645 119.914 -0.043 0.000 3.398 10 V HA 0.635 4.755 4.120 0.000 0.000 0.298 10 V C 0.550 176.615 176.094 -0.048 0.000 1.496 10 V CA 0.527 62.796 62.300 -0.052 0.000 1.044 10 V CB 0.118 31.892 31.823 -0.081 0.000 0.880 10 V HN 0.772 nan 8.190 nan 0.000 0.443 11 G N -0.244 108.533 108.800 -0.038 0.000 2.341 11 G HA2 0.542 4.502 3.960 0.000 0.000 0.299 11 G HA3 0.542 4.502 3.960 0.000 0.000 0.299 11 G C -1.952 172.937 174.900 -0.018 0.000 1.274 11 G CA 0.038 45.123 45.100 -0.025 0.000 0.853 11 G HN 0.343 nan 8.290 nan 0.000 0.493 12 E N -0.839 119.357 120.200 -0.007 0.000 2.354 12 E HA 0.468 4.818 4.350 0.000 0.000 0.283 12 E C -1.245 175.358 176.600 0.005 0.000 0.938 12 E CA -0.656 55.742 56.400 -0.004 0.000 0.777 12 E CB 1.967 31.668 29.700 0.001 0.000 1.222 12 E HN 0.482 nan 8.360 nan 0.000 0.423 13 L N 2.871 124.096 121.223 0.003 0.000 2.379 13 L HA 0.439 4.779 4.340 0.000 0.000 0.269 13 L C 1.574 178.452 176.870 0.014 0.000 1.084 13 L CA -0.091 54.755 54.840 0.011 0.000 0.802 13 L CB 1.244 43.306 42.059 0.005 0.000 1.175 13 L HN 0.877 nan 8.230 nan 0.000 0.448 14 A N 2.458 125.290 122.820 0.020 0.000 1.927 14 A HA -0.261 4.059 4.320 0.000 0.000 0.220 14 A C 2.144 179.736 177.584 0.014 0.000 1.185 14 A CA 2.297 54.346 52.037 0.020 0.000 0.639 14 A CB -0.735 18.279 19.000 0.024 0.000 0.820 14 A HN 0.897 nan 8.150 nan 0.000 0.451 15 A N -2.711 120.116 122.820 0.012 0.000 2.206 15 A HA 0.394 4.714 4.320 0.000 0.000 0.211 15 A C 1.865 179.452 177.584 0.005 0.000 1.158 15 A CA 1.425 53.467 52.037 0.008 0.000 0.761 15 A CB -0.643 18.361 19.000 0.007 0.000 0.801 15 A HN 1.911 nan 8.150 nan 0.000 0.473 16 G N -1.938 106.865 108.800 0.004 0.000 2.336 16 G HA2 -0.154 3.806 3.960 0.000 0.000 0.194 16 G HA3 -0.154 3.806 3.960 0.000 0.000 0.194 16 G C 0.023 174.922 174.900 -0.002 0.000 0.999 16 G CA -0.073 45.028 45.100 0.002 0.000 0.669 16 G HN 0.491 nan 8.290 nan 0.000 0.482 17 Q N 2.453 122.251 119.800 -0.004 0.000 2.313 17 Q HA 0.465 4.805 4.340 0.000 0.000 0.266 17 Q C -2.036 173.956 176.000 -0.012 0.000 0.989 17 Q CA -1.039 54.759 55.803 -0.009 0.000 0.890 17 Q CB 1.143 29.875 28.738 -0.010 0.000 1.200 17 Q HN 0.369 nan 8.270 nan 0.000 0.396 18 P HA 0.086 nan 4.420 nan 0.000 0.274 18 P C -0.931 176.351 177.300 -0.030 0.000 1.231 18 P CA -0.224 62.864 63.100 -0.020 0.000 0.790 18 P CB 0.842 32.531 31.700 -0.019 0.000 0.951 19 L N 2.055 123.255 121.223 -0.038 0.000 2.272 19 L HA 0.403 4.743 4.340 0.000 0.000 0.289 19 L C 0.712 177.546 176.870 -0.060 0.000 1.032 19 L CA -0.098 54.708 54.840 -0.057 0.000 0.810 19 L CB 1.210 43.226 42.059 -0.071 0.000 1.205 19 L HN 0.525 nan 8.230 nan 0.000 0.422 20 S N 3.909 119.569 115.700 -0.066 0.000 2.588 20 S HA 0.798 5.268 4.470 0.000 0.000 0.275 20 S C -0.961 173.587 174.600 -0.087 0.000 1.130 20 S CA -0.976 57.181 58.200 -0.070 0.000 0.855 20 S CB 1.920 65.085 63.200 -0.060 0.000 1.116 20 S HN 0.399 nan 8.310 nan 0.000 0.472 21 L N 1.355 122.517 121.223 -0.101 0.000 2.346 21 L HA 0.659 4.999 4.340 0.000 0.000 0.274 21 L C -2.639 174.125 176.870 -0.177 0.000 1.007 21 L CA -2.489 52.280 54.840 -0.119 0.000 0.818 21 L CB 2.375 44.372 42.059 -0.103 0.000 1.284 21 L HN 0.491 nan 8.230 nan 0.000 0.424 22 P HA 0.231 nan 4.420 nan 0.000 0.293 22 P C -0.932 176.099 177.300 -0.449 0.000 1.300 22 P CA -0.388 62.495 63.100 -0.361 0.000 0.792 22 P CB 1.704 33.225 31.700 -0.299 0.000 0.925 23 V N 5.615 125.168 119.914 -0.601 0.000 2.334 23 V HA 0.286 4.406 4.120 0.000 0.000 0.281 23 V C -0.475 175.333 176.094 -0.477 0.000 1.016 23 V CA -0.527 61.482 62.300 -0.485 0.000 0.832 23 V CB 0.287 31.734 31.823 -0.628 0.000 0.999 23 V HN 0.381 nan 8.190 nan 0.000 0.439 24 Y N 3.838 124.091 120.300 -0.078 0.000 2.330 24 Y HA 0.664 5.214 4.550 0.000 0.000 0.336 24 Y C 0.474 176.362 175.900 -0.020 0.000 1.036 24 Y CA -0.508 57.551 58.100 -0.068 0.000 1.125 24 Y CB 1.368 39.791 38.460 -0.061 0.000 1.194 24 Y HN 0.473 nan 8.280 nan 0.000 0.469 25 R N 3.447 123.987 120.500 0.067 0.000 2.575 25 R HA 0.499 4.839 4.340 0.000 0.000 0.293 25 R C -2.072 174.185 176.300 -0.072 0.000 0.983 25 R CA -0.767 55.385 56.100 0.087 0.000 0.887 25 R CB 0.915 31.286 30.300 0.117 0.000 1.184 25 R HN 0.581 nan 8.270 nan 0.000 0.445 26 F N 2.579 122.570 119.950 0.068 0.000 2.385 26 F HA 0.348 4.875 4.527 0.000 0.000 0.360 26 F C 0.965 176.789 175.800 0.040 0.000 1.122 26 F CA -0.350 57.675 58.000 0.042 0.000 1.090 26 F CB 1.495 40.508 39.000 0.022 0.000 1.150 26 F HN 0.415 nan 8.300 nan 0.000 0.472 27 K N 2.249 122.751 120.400 0.171 0.000 2.322 27 K HA 0.619 4.939 4.320 0.000 0.000 0.283 27 K C 0.433 177.099 176.600 0.110 0.000 1.042 27 K CA -0.098 56.258 56.287 0.114 0.000 0.958 27 K CB 0.093 32.634 32.500 0.069 0.000 0.984 27 K HN 0.909 nan 8.250 nan 0.000 0.473 28 G N 0.915 109.765 108.800 0.082 0.000 2.476 28 G HA2 0.441 4.401 3.960 0.000 0.000 0.269 28 G HA3 0.441 4.401 3.960 0.000 0.000 0.269 28 G C 0.202 175.127 174.900 0.042 0.000 1.195 28 G CA -0.456 44.678 45.100 0.057 0.000 0.843 28 G HN 0.802 nan 8.290 nan 0.000 0.545 29 K N 1.262 121.682 120.400 0.032 0.000 3.045 29 K HA 0.592 4.912 4.320 0.000 0.000 0.214 29 K C 0.270 176.879 176.600 0.014 0.000 1.213 29 K CA -0.391 55.910 56.287 0.024 0.000 1.111 29 K CB 0.493 33.009 32.500 0.026 0.000 1.454 29 K HN 0.751 nan 8.250 nan 0.000 0.498 30 G N -0.029 108.777 108.800 0.010 0.000 2.364 30 G HA2 0.386 4.346 3.960 0.000 0.000 0.286 30 G HA3 0.386 4.346 3.960 0.000 0.000 0.286 30 G C -1.108 173.790 174.900 -0.003 0.000 1.241 30 G CA -0.289 44.811 45.100 0.001 0.000 0.887 30 G HN 0.139 nan 8.290 nan 0.000 0.484 31 A N -0.440 122.372 122.820 -0.013 0.000 2.500 31 A HA 0.677 4.997 4.320 0.000 0.000 0.267 31 A C 1.198 178.763 177.584 -0.032 0.000 1.290 31 A CA 1.020 53.047 52.037 -0.018 0.000 0.928 31 A CB -0.470 18.518 19.000 -0.019 0.000 1.066 31 A HN 1.724 nan 8.150 nan 0.000 0.516 32 G N 0.761 109.539 108.800 -0.037 0.000 2.636 32 G HA2 0.444 4.404 3.960 0.000 0.000 0.246 32 G HA3 0.444 4.404 3.960 0.000 0.000 0.246 32 G C -2.633 172.235 174.900 -0.052 0.000 1.216 32 G CA -0.895 44.170 45.100 -0.059 0.000 0.854 32 G HN 0.190 nan 8.290 nan 0.000 0.572 33 P HA 0.186 nan 4.420 nan 0.000 0.272 33 P C 0.085 177.372 177.300 -0.023 0.000 1.230 33 P CA -0.372 62.694 63.100 -0.057 0.000 0.788 33 P CB 0.881 32.529 31.700 -0.087 0.000 0.949 34 S N 0.190 115.893 115.700 0.005 0.000 2.585 34 S HA 0.591 5.061 4.470 0.000 0.000 0.277 34 S C -0.304 174.338 174.600 0.071 0.000 1.241 34 S CA -0.606 57.621 58.200 0.045 0.000 1.041 34 S CB 0.561 63.799 63.200 0.063 0.000 0.987 34 S HN 0.196 nan 8.310 nan 0.000 0.512 35 V N 2.562 122.537 119.914 0.102 0.000 2.709 35 V HA 0.480 4.600 4.120 0.000 0.000 0.308 35 V C -1.414 174.798 176.094 0.197 0.000 1.062 35 V CA -0.834 61.546 62.300 0.134 0.000 0.901 35 V CB 1.492 33.370 31.823 0.091 0.000 1.003 35 V HN 0.949 nan 8.190 nan 0.000 0.425 36 Y N 5.159 125.508 120.300 0.082 0.000 2.331 36 Y HA 0.785 5.335 4.550 -0.000 0.000 0.334 36 Y C -0.765 175.180 175.900 0.075 0.000 0.960 36 Y CA -0.754 57.395 58.100 0.082 0.000 1.130 36 Y CB 1.428 39.935 38.460 0.078 0.000 1.164 36 Y HN 0.571 nan 8.280 nan 0.000 0.458 37 I N 6.940 127.224 120.570 -0.477 0.000 2.498 37 I HA 0.387 4.557 4.170 0.000 0.000 0.290 37 I C -1.144 174.665 176.117 -0.513 0.000 1.032 37 I CA -0.841 60.268 61.300 -0.319 0.000 1.073 37 I CB 2.096 40.021 38.000 -0.125 0.000 1.251 37 I HN 0.647 nan 8.210 nan 0.000 0.426 38 Q N 5.361 124.975 119.800 -0.310 0.000 2.451 38 Q HA 0.947 5.287 4.340 0.000 0.000 0.281 38 Q C -1.709 174.218 176.000 -0.122 0.000 1.099 38 Q CA -1.055 54.620 55.803 -0.215 0.000 0.806 38 Q CB 3.147 31.823 28.738 -0.104 0.000 1.419 38 Q HN 0.697 nan 8.270 nan 0.000 0.427 39 A N 1.065 123.814 122.820 -0.117 0.000 2.539 39 A HA 0.578 4.898 4.320 0.000 0.000 0.296 39 A C -0.323 177.171 177.584 -0.151 0.000 1.073 39 A CA -0.230 51.726 52.037 -0.134 0.000 0.700 39 A CB 1.384 20.333 19.000 -0.084 0.000 1.296 39 A HN 1.093 nan 8.150 nan 0.000 0.405 40 N N 0.338 118.922 118.700 -0.194 0.000 2.815 40 N HA -0.175 4.565 4.740 0.000 0.000 0.249 40 N C 0.636 176.044 175.510 -0.171 0.000 1.114 40 N CA 0.433 53.391 53.050 -0.153 0.000 0.717 40 N CB -0.801 37.624 38.487 -0.105 0.000 1.074 40 N HN 0.460 nan 8.380 nan 0.000 0.555 41 V N -0.305 119.463 119.914 -0.242 0.000 2.407 41 V HA -0.159 3.961 4.120 0.000 0.000 0.248 41 V C 0.778 176.775 176.094 -0.162 0.000 1.055 41 V CA 1.778 63.944 62.300 -0.224 0.000 1.049 41 V CB -0.403 31.310 31.823 -0.183 0.000 0.662 41 V HN 0.392 nan 8.190 nan 0.000 0.455 42 H N -0.427 118.636 119.070 -0.012 0.000 2.782 42 H HA 0.339 4.895 4.556 0.000 0.000 0.285 42 H C 1.370 176.686 175.328 -0.019 0.000 1.093 42 H CA 0.108 56.209 56.048 0.089 0.000 1.410 42 H CB 1.264 31.116 29.762 0.150 0.000 1.439 42 H HN 0.225 nan 8.280 nan 0.000 0.469 43 G N 2.851 111.708 108.800 0.096 0.000 2.503 43 G HA2 -0.362 3.598 3.960 0.000 0.000 0.221 43 G HA3 -0.362 3.598 3.960 0.000 0.000 0.221 43 G C 1.687 176.531 174.900 -0.093 0.000 1.131 43 G CA 0.860 45.937 45.100 -0.039 0.000 0.756 43 G HN 0.671 nan 8.290 nan 0.000 0.572 44 A N 0.195 122.940 122.820 -0.126 0.000 2.167 44 A HA 0.184 4.504 4.320 0.000 0.000 0.214 44 A C 1.436 178.970 177.584 -0.083 0.000 1.151 44 A CA 0.532 52.455 52.037 -0.190 0.000 0.735 44 A CB -0.031 18.782 19.000 -0.312 0.000 0.802 44 A HN 0.460 nan 8.150 nan 0.000 0.467 45 E N 0.749 120.935 120.200 -0.023 0.000 2.232 45 E HA 0.161 4.511 4.350 0.000 0.000 0.296 45 E C 1.033 177.614 176.600 -0.031 0.000 1.372 45 E CA -0.014 56.387 56.400 0.003 0.000 1.527 45 E CB 0.255 29.997 29.700 0.068 0.000 1.424 45 E HN 0.474 nan 8.360 nan 0.000 0.485 46 V N -1.197 118.692 119.914 -0.042 0.000 3.041 46 V HA -0.202 3.918 4.120 0.000 0.000 0.260 46 V C 2.122 178.194 176.094 -0.036 0.000 1.105 46 V CA 1.021 63.292 62.300 -0.049 0.000 1.125 46 V CB -0.095 31.693 31.823 -0.058 0.000 0.730 46 V HN 0.280 nan 8.190 nan 0.000 0.479 47 Q N 2.321 122.107 119.800 -0.024 0.000 2.234 47 Q HA -0.016 4.324 4.340 0.000 0.000 0.206 47 Q C 2.107 178.102 176.000 -0.009 0.000 0.980 47 Q CA 2.184 57.980 55.803 -0.013 0.000 0.869 47 Q CB -1.078 27.659 28.738 -0.003 0.000 0.912 47 Q HN 0.637 nan 8.270 nan 0.000 0.436 48 G N 0.367 109.154 108.800 -0.021 0.000 2.462 48 G HA2 -0.291 3.669 3.960 0.000 0.000 0.220 48 G HA3 -0.291 3.669 3.960 0.000 0.000 0.220 48 G C 1.307 176.198 174.900 -0.015 0.000 1.121 48 G CA 0.868 45.953 45.100 -0.025 0.000 0.758 48 G HN 0.379 nan 8.290 nan 0.000 0.559 49 N N 1.282 119.972 118.700 -0.017 0.000 2.142 49 N HA -0.079 4.661 4.740 0.000 0.000 0.186 49 N C 2.534 178.066 175.510 0.037 0.000 1.023 49 N CA 1.253 54.303 53.050 0.001 0.000 0.852 49 N CB -0.440 38.035 38.487 -0.020 0.000 0.998 49 N HN 0.325 nan 8.380 nan 0.000 0.424 50 A N 0.944 123.779 122.820 0.024 0.000 1.930 50 A HA -0.043 4.277 4.320 0.000 0.000 0.217 50 A C 2.525 180.176 177.584 0.112 0.000 1.175 50 A CA 1.039 53.113 52.037 0.061 0.000 0.627 50 A CB -0.609 18.403 19.000 0.020 0.000 0.815 50 A HN 0.099 nan 8.150 nan 0.000 0.443 51 V N 0.205 120.155 119.914 0.060 0.000 2.358 51 V HA -0.248 3.872 4.120 0.000 0.000 0.246 51 V C 2.399 178.517 176.094 0.041 0.000 1.047 51 V CA 1.918 64.246 62.300 0.047 0.000 1.035 51 V CB -0.655 31.183 31.823 0.025 0.000 0.658 51 V HN 0.568 nan 8.190 nan 0.000 0.452 52 I N -0.948 119.645 120.570 0.039 0.000 2.226 52 I HA -0.282 3.888 4.170 0.000 0.000 0.245 52 I C 2.448 178.583 176.117 0.030 0.000 1.100 52 I CA 2.039 63.353 61.300 0.023 0.000 1.374 52 I CB -0.439 37.574 38.000 0.021 0.000 1.057 52 I HN 0.390 nan 8.210 nan 0.000 0.413 53 Y N 1.979 122.249 120.300 -0.050 0.000 2.070 53 Y HA -0.330 4.220 4.550 0.000 0.000 0.280 53 Y C 2.737 178.614 175.900 -0.039 0.000 1.148 53 Y CA 1.756 59.821 58.100 -0.059 0.000 1.125 53 Y CB -0.361 38.070 38.460 -0.048 0.000 0.975 53 Y HN 0.143 nan 8.280 nan 0.000 0.492 54 Q N 0.171 119.946 119.800 -0.042 0.000 2.124 54 Q HA -0.117 4.224 4.340 0.000 0.000 0.202 54 Q C 1.220 177.139 176.000 -0.135 0.000 0.977 54 Q CA 0.798 56.529 55.803 -0.119 0.000 0.850 54 Q CB -0.836 27.922 28.738 0.033 0.000 0.901 54 Q HN 0.424 nan 8.270 nan 0.000 0.429 58 L N 1.645 122.814 121.223 -0.090 0.000 2.056 58 L HA 0.033 4.373 4.340 0.000 0.000 0.207 58 L C 2.348 179.268 176.870 0.084 0.000 1.078 58 L CA 1.203 56.087 54.840 0.074 0.000 0.749 58 L CB -0.350 41.760 42.059 0.086 0.000 0.901 58 L HN 0.037 nan 8.230 nan 0.000 0.433 59 L N -0.376 120.773 121.223 -0.122 0.000 2.191 59 L HA -0.221 4.119 4.340 0.000 0.000 0.212 59 L C 2.355 179.118 176.870 -0.179 0.000 1.103 59 L CA 1.087 55.788 54.840 -0.233 0.000 0.769 59 L CB -0.444 41.185 42.059 -0.716 0.000 0.908 59 L HN 0.306 nan 8.230 nan 0.000 0.438 60 E N -0.821 119.242 120.200 -0.228 0.000 2.267 60 E HA -0.199 4.151 4.350 0.000 0.000 0.197 60 E C 1.152 177.572 176.600 -0.300 0.000 0.998 60 E CA 0.783 57.044 56.400 -0.232 0.000 0.830 60 E CB 0.040 29.537 29.700 -0.339 0.000 0.751 60 E HN 0.599 nan 8.360 nan 0.000 0.491 61 H N -1.844 117.233 119.070 0.011 0.000 2.594 61 H HA 0.165 4.721 4.556 0.000 0.000 0.279 61 H C -0.366 174.814 175.328 -0.247 0.000 1.042 61 H CA 0.075 56.057 56.048 -0.109 0.000 1.177 61 H CB 0.058 29.710 29.762 -0.185 0.000 1.524 61 H HN 0.093 nan 8.280 nan 0.000 0.537 62 Y N 0.837 121.139 120.300 0.004 0.000 2.602 62 Y HA 0.277 4.827 4.550 0.000 0.000 0.330 62 Y C 0.591 176.474 175.900 -0.028 0.000 1.114 62 Y CA -1.046 57.040 58.100 -0.023 0.000 1.182 62 Y CB 1.655 40.075 38.460 -0.068 0.000 1.305 62 Y HN -0.047 nan 8.280 nan 0.000 0.502 63 E N 1.546 121.837 120.200 0.152 0.000 2.081 63 E HA 0.362 4.712 4.350 0.000 0.000 0.276 63 E C -1.804 174.830 176.600 0.057 0.000 0.950 63 E CA -0.649 55.796 56.400 0.076 0.000 0.776 63 E CB 0.446 30.175 29.700 0.048 0.000 1.094 63 E HN 0.415 nan 8.360 nan 0.000 0.402 64 L N 5.790 127.038 121.223 0.041 0.000 2.281 64 L HA 0.163 4.503 4.340 0.000 0.000 0.285 64 L C 0.761 177.639 176.870 0.014 0.000 1.074 64 L CA 0.359 55.207 54.840 0.014 0.000 0.817 64 L CB 1.014 43.087 42.059 0.023 0.000 1.168 64 L HN 0.778 nan 8.230 nan 0.000 0.434 65 L N 2.334 123.552 121.223 -0.008 0.000 2.416 65 L HA 0.303 4.643 4.340 0.000 0.000 0.216 65 L C 1.088 177.952 176.870 -0.010 0.000 1.098 65 L CA 0.216 55.048 54.840 -0.012 0.000 0.840 65 L CB -0.111 41.930 42.059 -0.031 0.000 0.981 65 L HN 0.732 nan 8.230 nan 0.000 0.462 66 G N -1.275 107.517 108.800 -0.013 0.000 2.533 66 G HA2 0.392 4.352 3.960 0.000 0.000 0.304 66 G HA3 0.392 4.352 3.960 0.000 0.000 0.304 66 G C -1.476 173.440 174.900 0.028 0.000 1.263 66 G CA -0.507 44.593 45.100 -0.001 0.000 0.964 66 G HN -0.205 nan 8.290 nan 0.000 0.479 67 D N -0.090 120.340 120.400 0.051 0.000 2.382 67 D HA 0.330 4.970 4.640 0.000 0.000 0.245 67 D C 0.104 176.464 176.300 0.101 0.000 1.120 67 D CA 0.673 54.727 54.000 0.091 0.000 0.890 67 D CB 1.654 42.512 40.800 0.096 0.000 1.201 67 D HN 0.153 nan 8.370 nan 0.000 0.433 68 I N 1.104 121.763 120.570 0.149 0.000 2.478 68 I HA 0.149 4.319 4.170 0.000 0.000 0.287 68 I C -0.328 175.926 176.117 0.228 0.000 1.042 68 I CA -0.535 60.853 61.300 0.146 0.000 1.067 68 I CB 1.752 39.789 38.000 0.062 0.000 1.233 68 I HN 0.015 nan 8.210 nan 0.000 0.431 69 S N 6.806 122.614 115.700 0.181 0.000 2.454 69 S HA 0.772 5.242 4.470 0.000 0.000 0.306 69 S C -0.653 173.967 174.600 0.033 0.000 1.100 69 S CA -0.545 57.756 58.200 0.168 0.000 1.087 69 S CB 1.435 64.774 63.200 0.231 0.000 1.019 69 S HN 0.283 nan 8.310 nan 0.000 0.480 70 L N 2.652 123.913 121.223 0.064 0.000 2.385 70 L HA 0.633 4.973 4.340 0.000 0.000 0.273 70 L C -0.760 176.110 176.870 -0.001 0.000 0.990 70 L CA -0.633 54.200 54.840 -0.012 0.000 0.821 70 L CB 1.841 43.957 42.059 0.095 0.000 1.279 70 L HN 0.375 nan 8.230 nan 0.000 0.412 71 V N 3.451 123.287 119.914 -0.130 0.000 2.315 71 V HA 0.379 4.499 4.120 0.000 0.000 0.265 71 V C -2.164 173.898 176.094 -0.053 0.000 1.019 71 V CA -1.194 61.052 62.300 -0.089 0.000 0.824 71 V CB 0.818 32.571 31.823 -0.117 0.000 1.072 71 V HN 0.569 nan 8.190 nan 0.000 0.448 72 P HA 0.369 nan 4.420 nan 0.000 0.276 72 P C 0.402 177.692 177.300 -0.017 0.000 1.261 72 P CA -0.188 62.919 63.100 0.012 0.000 0.800 72 P CB 1.141 32.885 31.700 0.074 0.000 1.066 73 L N -1.765 119.433 121.223 -0.041 0.000 3.660 73 L HA -0.267 4.073 4.340 0.000 0.000 0.440 73 L C 1.318 178.136 176.870 -0.087 0.000 1.262 73 L CA 0.470 55.273 54.840 -0.062 0.000 0.837 73 L CB -2.211 39.823 42.059 -0.041 0.000 1.689 73 L HN 0.454 nan 8.230 nan 0.000 0.890 74 A N -0.498 122.263 122.820 -0.098 0.000 2.209 74 A HA 0.016 4.336 4.320 0.000 0.000 0.212 74 A C 1.121 178.614 177.584 -0.151 0.000 1.158 74 A CA 1.497 53.474 52.037 -0.100 0.000 0.742 74 A CB -0.168 18.791 19.000 -0.069 0.000 0.790 74 A HN 0.606 nan 8.150 nan 0.000 0.472 75 N N -0.857 117.726 118.700 -0.196 0.000 2.725 75 N HA 0.202 4.942 4.740 0.000 0.000 0.248 75 N C -2.337 173.012 175.510 -0.268 0.000 1.402 75 N CA -1.729 51.138 53.050 -0.305 0.000 0.766 75 N CB 1.190 39.411 38.487 -0.442 0.000 1.223 75 N HN -0.081 nan 8.380 nan 0.000 0.515 76 P HA -0.152 nan 4.420 nan 0.000 0.218 76 P C 1.538 178.746 177.300 -0.153 0.000 1.148 76 P CA 0.428 63.438 63.100 -0.150 0.000 0.822 76 P CB 0.655 32.287 31.700 -0.113 0.000 0.784 77 L N 0.397 121.495 121.223 -0.208 0.000 2.046 77 L HA 0.011 4.351 4.340 0.000 0.000 0.208 77 L C 2.465 179.271 176.870 -0.107 0.000 1.077 77 L CA 2.358 57.106 54.840 -0.152 0.000 0.747 77 L CB -1.635 40.310 42.059 -0.190 0.000 0.896 77 L HN -0.035 nan 8.230 nan 0.000 0.432 78 G N -0.836 107.827 108.800 -0.228 0.000 2.396 78 G HA2 -0.150 3.810 3.960 0.000 0.000 0.214 78 G HA3 -0.150 3.810 3.960 0.000 0.000 0.214 78 G C 1.639 176.505 174.900 -0.057 0.000 1.166 78 G CA 0.751 45.826 45.100 -0.041 0.000 0.793 78 G HN 0.431 nan 8.290 nan 0.000 0.533 79 I N 1.252 121.753 120.570 -0.115 0.000 2.264 79 I HA -0.153 4.017 4.170 0.000 0.000 0.248 79 I C 1.855 177.921 176.117 -0.085 0.000 1.111 79 I CA 0.823 62.062 61.300 -0.101 0.000 1.382 79 I CB -0.050 37.887 38.000 -0.105 0.000 1.060 79 I HN 0.059 nan 8.210 nan 0.000 0.418 80 N N 0.457 119.115 118.700 -0.070 0.000 2.398 80 N HA -0.040 4.700 4.740 0.000 0.000 0.188 80 N C 0.540 176.028 175.510 -0.036 0.000 1.122 80 N CA 0.229 53.248 53.050 -0.051 0.000 0.866 80 N CB -0.014 38.446 38.487 -0.044 0.000 0.970 80 N HN 0.302 nan 8.380 nan 0.000 0.462 81 Q N 1.627 121.408 119.800 -0.033 0.000 2.337 81 Q HA 0.155 4.495 4.340 0.000 0.000 0.255 81 Q C -0.874 175.101 176.000 -0.042 0.000 0.997 81 Q CA -0.104 55.692 55.803 -0.012 0.000 0.925 81 Q CB 0.391 29.145 28.738 0.027 0.000 1.212 81 Q HN -0.207 nan 8.270 nan 0.000 0.436 82 K N 1.944 122.333 120.400 -0.019 0.000 2.156 82 K HA 0.562 4.882 4.320 0.000 0.000 0.254 82 K C -1.051 175.569 176.600 0.033 0.000 0.950 82 K CA -0.548 55.732 56.287 -0.012 0.000 0.849 82 K CB 2.050 34.546 32.500 -0.005 0.000 1.100 82 K HN 0.495 nan 8.250 nan 0.000 0.434 83 S N 0.723 116.468 115.700 0.075 0.000 2.776 83 S HA 0.547 5.017 4.470 0.000 0.000 0.284 83 S C 0.072 174.750 174.600 0.131 0.000 1.160 83 S CA 0.421 58.686 58.200 0.108 0.000 1.051 83 S CB 0.277 63.563 63.200 0.143 0.000 1.037 83 S HN 0.928 nan 8.310 nan 0.000 0.485 84 G N 4.592 113.444 108.800 0.088 0.000 2.564 84 G HA2 -0.234 3.726 3.960 0.000 0.000 0.273 84 G HA3 -0.234 3.726 3.960 0.000 0.000 0.273 84 G C -0.278 174.676 174.900 0.090 0.000 1.242 84 G CA 0.412 45.560 45.100 0.080 0.000 0.951 84 G HN 0.775 nan 8.290 nan 0.000 0.564 85 E N -0.059 120.200 120.200 0.098 0.000 2.354 85 E HA 0.537 4.887 4.350 0.000 0.000 0.252 85 E C -0.399 176.302 176.600 0.168 0.000 1.330 85 E CA -0.095 56.360 56.400 0.092 0.000 1.658 85 E CB 0.241 29.978 29.700 0.061 0.000 1.460 85 E HN 0.443 nan 8.360 nan 0.000 0.435 86 F N -0.460 119.475 119.950 -0.025 0.000 2.654 86 F HA 0.308 4.835 4.527 0.000 0.000 0.308 86 F C -0.914 174.866 175.800 -0.034 0.000 1.108 86 F CA -0.825 57.153 58.000 -0.036 0.000 0.957 86 F CB 1.754 40.727 39.000 -0.044 0.000 1.309 86 F HN -0.284 nan 8.300 nan 0.000 0.446 87 T N 5.691 119.750 114.554 -0.825 0.000 2.728 87 T HA 0.321 4.671 4.350 0.000 0.000 0.296 87 T C -0.409 173.777 174.700 -0.856 0.000 0.940 87 T CA -0.199 61.523 62.100 -0.630 0.000 1.013 87 T CB 0.696 69.281 68.868 -0.470 0.000 0.912 87 T HN 0.513 nan 8.240 nan 0.000 0.484 88 L N 4.471 125.492 121.223 -0.336 0.000 2.422 88 L HA 0.503 4.843 4.340 0.000 0.000 0.256 88 L C 1.079 177.819 176.870 -0.216 0.000 1.202 88 L CA 0.293 55.012 54.840 -0.203 0.000 1.119 88 L CB -0.442 41.595 42.059 -0.037 0.000 1.383 88 L HN 0.826 nan 8.230 nan 0.000 0.411 89 G N 1.474 110.132 108.800 -0.236 0.000 3.228 89 G HA2 0.017 3.977 3.960 0.000 0.000 0.245 89 G HA3 0.017 3.977 3.960 0.000 0.000 0.245 89 G C 1.345 176.356 174.900 0.185 0.000 1.051 89 G CA -0.201 44.891 45.100 -0.014 0.000 0.809 89 G HN 0.518 nan 8.290 nan 0.000 0.531 90 R N -0.322 120.123 120.500 -0.092 0.000 2.127 90 R HA 0.245 4.585 4.340 0.000 0.000 0.217 90 R C 0.102 176.417 176.300 0.025 0.000 1.074 90 R CA 0.603 56.715 56.100 0.022 0.000 0.991 90 R CB 0.020 30.224 30.300 -0.160 0.000 0.895 90 R HN 0.323 nan 8.270 nan 0.000 0.450 91 F N -2.098 117.711 119.950 -0.235 0.000 2.643 91 F HA 0.380 4.907 4.527 0.000 0.000 0.314 91 F C -0.996 174.237 175.800 -0.945 0.000 1.096 91 F CA -2.291 55.274 58.000 -0.724 0.000 0.953 91 F CB 0.238 39.033 39.000 -0.341 0.000 1.345 91 F HN -0.304 nan 8.300 nan 0.000 0.468 92 D N 3.145 122.921 120.400 -1.039 0.000 2.451 92 D HA 0.130 4.770 4.640 0.000 0.000 0.254 92 D C -1.600 174.706 176.300 0.011 0.000 1.204 92 D CA -1.732 51.885 54.000 -0.638 0.000 0.896 92 D CB 1.282 41.780 40.800 -0.502 0.000 1.136 92 D HN 0.290 nan 8.370 nan 0.000 0.499 93 P HA -0.062 nan 4.420 nan 0.000 0.226 93 P C 1.611 178.994 177.300 0.139 0.000 1.153 93 P CA 0.700 63.921 63.100 0.202 0.000 0.777 93 P CB 0.348 32.139 31.700 0.151 0.000 0.794 94 I N -0.189 120.435 120.570 0.090 0.000 2.277 94 I HA -0.119 4.051 4.170 0.000 0.000 0.243 94 I C 2.218 178.347 176.117 0.019 0.000 1.094 94 I CA 2.121 63.456 61.300 0.058 0.000 1.393 94 I CB -0.865 37.171 38.000 0.060 0.000 1.078 94 I HN 0.075 nan 8.210 nan 0.000 0.417 95 T N -3.112 111.434 114.554 -0.014 0.000 2.990 95 T HA 0.334 4.684 4.350 0.000 0.000 0.250 95 T C 1.550 176.174 174.700 -0.126 0.000 1.041 95 T CA 0.504 62.570 62.100 -0.057 0.000 1.010 95 T CB 0.891 69.728 68.868 -0.053 0.000 1.003 95 T HN 0.483 nan 8.240 nan 0.000 0.499 96 G N 1.143 109.844 108.800 -0.166 0.000 2.179 96 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 96 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 96 G C 0.088 174.773 174.900 -0.359 0.000 0.977 96 G CA 0.004 44.851 45.100 -0.423 0.000 0.641 96 G HN 0.742 nan 8.290 nan 0.000 0.533 97 V N 1.993 121.775 119.914 -0.221 0.000 2.479 97 V HA 0.260 4.380 4.120 0.000 0.000 0.281 97 V C 1.011 176.988 176.094 -0.194 0.000 1.031 97 V CA -0.555 61.643 62.300 -0.170 0.000 1.038 97 V CB 1.235 32.986 31.823 -0.119 0.000 0.981 97 V HN 0.486 nan 8.190 nan 0.000 0.478 98 N N 4.188 122.856 118.700 -0.053 0.000 2.411 98 N HA -0.031 4.709 4.740 0.000 0.000 0.261 98 N C 0.748 176.324 175.510 0.110 0.000 1.248 98 N CA 0.290 53.381 53.050 0.069 0.000 0.885 98 N CB 0.444 39.028 38.487 0.162 0.000 1.062 98 N HN 0.668 nan 8.380 nan 0.000 0.471 99 W N 2.327 123.775 121.300 0.247 0.000 2.364 99 W HA -0.085 4.575 4.660 0.000 0.000 0.281 99 W C 1.541 178.098 176.519 0.064 0.000 1.219 99 W CA 0.068 57.480 57.345 0.112 0.000 1.220 99 W CB -0.096 29.410 29.460 0.077 0.000 1.127 99 W HN 0.565 nan 8.180 nan 0.000 0.556 100 N N 0.261 119.188 118.700 0.379 0.000 2.322 100 N HA 0.013 4.753 4.740 0.000 0.000 0.216 100 N C 0.936 176.611 175.510 0.274 0.000 1.144 100 N CA 0.346 53.597 53.050 0.335 0.000 0.830 100 N CB -0.040 38.588 38.487 0.235 0.000 1.034 100 N HN -0.170 nan 8.380 nan 0.000 0.484 101 R N -0.321 120.308 120.500 0.215 0.000 2.535 101 R HA 0.243 4.583 4.340 0.000 0.000 0.323 101 R C 0.083 176.477 176.300 0.156 0.000 0.979 101 R CA -0.006 56.179 56.100 0.141 0.000 1.120 101 R CB 0.475 30.829 30.300 0.091 0.000 1.306 101 R HN 0.256 nan 8.270 nan 0.000 0.540 102 E N 0.097 120.384 120.200 0.146 0.000 2.463 102 E HA 0.099 4.449 4.350 0.000 0.000 0.193 102 E C -0.256 176.438 176.600 0.156 0.000 1.041 102 E CA -0.132 56.354 56.400 0.144 0.000 0.879 102 E CB 0.253 30.024 29.700 0.118 0.000 0.997 102 E HN 0.170 nan 8.360 nan 0.000 0.478 103 Y N 0.219 120.665 120.300 0.243 0.000 2.296 103 Y HA 0.099 4.649 4.550 0.000 0.000 0.343 103 Y C 0.624 176.740 175.900 0.360 0.000 1.292 103 Y CA -0.603 57.637 58.100 0.233 0.000 1.490 103 Y CB 0.416 38.972 38.460 0.161 0.000 1.359 103 Y HN -0.062 nan 8.280 nan 0.000 0.599 104 L N 2.516 123.927 121.223 0.315 0.000 2.257 104 L HA 0.286 4.626 4.340 0.000 0.000 0.290 104 L C -0.864 175.803 176.870 -0.339 0.000 1.044 104 L CA -0.537 54.331 54.840 0.046 0.000 0.810 104 L CB 0.350 42.347 42.059 -0.103 0.000 1.193 104 L HN 0.508 nan 8.230 nan 0.000 0.425 105 D N 3.652 123.647 120.400 -0.674 0.000 2.316 105 D HA 0.119 4.759 4.640 0.000 0.000 0.245 105 D C -0.337 175.629 176.300 -0.558 0.000 1.171 105 D CA -0.057 53.267 54.000 -1.127 0.000 0.856 105 D CB 0.357 40.318 40.800 -1.400 0.000 1.090 105 D HN 0.435 nan 8.370 nan 0.000 0.476 106 H N 2.881 121.780 119.070 -0.285 0.000 2.975 106 H HA 0.163 4.719 4.556 0.000 0.000 0.303 106 H C 1.335 176.513 175.328 -0.249 0.000 1.023 106 H CA 0.290 56.237 56.048 -0.168 0.000 1.473 106 H CB 1.284 30.968 29.762 -0.130 0.000 1.498 106 H HN 0.628 nan 8.280 nan 0.000 0.549 107 G N 4.456 113.255 108.800 -0.001 0.000 2.623 107 G HA2 -0.078 3.882 3.960 0.000 0.000 0.214 107 G HA3 -0.078 3.882 3.960 0.000 0.000 0.214 107 G C 0.607 175.500 174.900 -0.011 0.000 1.138 107 G CA -0.326 44.752 45.100 -0.037 0.000 0.794 107 G HN 0.544 nan 8.290 nan 0.000 0.535 108 F N 0.687 120.646 119.950 0.016 0.000 2.589 108 F HA 0.290 4.817 4.527 0.000 0.000 0.352 108 F C 0.213 176.048 175.800 0.058 0.000 1.168 108 F CA -1.933 56.088 58.000 0.035 0.000 1.353 108 F CB 0.326 39.344 39.000 0.029 0.000 1.116 108 F HN -0.110 nan 8.300 nan 0.000 0.608 109 N N 3.566 122.398 118.700 0.220 0.000 2.405 109 N HA 0.096 4.836 4.740 0.000 0.000 0.260 109 N C 0.761 176.414 175.510 0.239 0.000 1.152 109 N CA -0.034 53.099 53.050 0.139 0.000 0.948 109 N CB 0.479 39.062 38.487 0.159 0.000 1.111 109 N HN 0.855 nan 8.380 nan 0.000 0.485 110 I N 2.211 122.830 120.570 0.081 0.000 2.353 110 I HA -0.181 3.989 4.170 0.000 0.000 0.248 110 I C 2.043 178.359 176.117 0.332 0.000 1.119 110 I CA 0.569 61.984 61.300 0.191 0.000 1.417 110 I CB -0.008 37.980 38.000 -0.019 0.000 1.078 110 I HN 0.538 nan 8.210 nan 0.000 0.421 111 E N 1.338 121.678 120.200 0.234 0.000 2.038 111 E HA -0.189 4.161 4.350 0.000 0.000 0.195 111 E C 2.125 178.925 176.600 0.333 0.000 1.000 111 E CA 1.799 58.364 56.400 0.275 0.000 0.803 111 E CB -0.348 29.469 29.700 0.196 0.000 0.750 111 E HN 0.234 nan 8.360 nan 0.000 0.448 112 V N -0.222 119.866 119.914 0.290 0.000 2.343 112 V HA -0.200 3.920 4.120 0.000 0.000 0.247 112 V C 2.076 178.368 176.094 0.330 0.000 1.051 112 V CA 1.953 64.407 62.300 0.256 0.000 1.036 112 V CB -0.763 31.186 31.823 0.209 0.000 0.654 112 V HN 0.495 nan 8.190 nan 0.000 0.451 113 W N -0.210 121.264 121.300 0.289 0.000 2.335 113 W HA -0.289 4.371 4.660 -0.000 0.000 0.311 113 W C 2.556 179.304 176.519 0.383 0.000 1.213 113 W CA 2.023 59.587 57.345 0.365 0.000 1.274 113 W CB -0.417 29.314 29.460 0.452 0.000 1.148 113 W HN 0.378 nan 8.180 nan 0.000 0.498 114 Y N 1.316 121.978 120.300 0.602 0.000 2.097 114 Y HA -0.360 4.190 4.550 0.000 0.000 0.282 114 Y C 2.563 178.533 175.900 0.116 0.000 1.152 114 Y CA 2.600 60.929 58.100 0.382 0.000 1.136 114 Y CB -0.892 37.731 38.460 0.271 0.000 0.975 114 Y HN -0.052 nan 8.280 nan 0.000 0.498 115 Q N 0.621 120.447 119.800 0.043 0.000 2.112 115 Q HA -0.231 4.109 4.340 0.000 0.000 0.206 115 Q C 2.020 177.900 176.000 -0.199 0.000 0.987 115 Q CA 2.153 57.877 55.803 -0.131 0.000 0.858 115 Q CB -0.484 28.252 28.738 -0.002 0.000 0.905 115 Q HN 0.704 nan 8.270 nan 0.000 0.420 116 E N -0.669 119.423 120.200 -0.181 0.000 2.347 116 E HA -0.135 4.215 4.350 0.000 0.000 0.196 116 E C 0.710 176.947 176.600 -0.606 0.000 1.008 116 E CA 0.654 56.849 56.400 -0.342 0.000 0.852 116 E CB 0.014 29.487 29.700 -0.378 0.000 0.783 116 E HN 0.539 nan 8.360 nan 0.000 0.505 117 H N -1.739 116.995 119.070 -0.561 0.000 3.058 117 H HA 0.101 4.657 4.556 0.000 0.000 0.266 117 H C 1.802 176.718 175.328 -0.687 0.000 1.135 117 H CA 0.434 56.060 56.048 -0.703 0.000 1.174 117 H CB 0.637 29.789 29.762 -1.016 0.000 1.581 117 H HN 0.050 nan 8.280 nan 0.000 0.553 118 S N 0.553 115.928 115.700 -0.541 0.000 2.442 118 S HA -0.233 4.237 4.470 0.000 0.000 0.236 118 S C 1.820 176.242 174.600 -0.297 0.000 1.007 118 S CA 1.290 59.130 58.200 -0.599 0.000 0.965 118 S CB -0.510 62.215 63.200 -0.793 0.000 0.773 118 S HN 0.733 nan 8.310 nan 0.000 0.504 119 H N 1.015 119.964 119.070 -0.202 0.000 2.546 119 H HA 0.284 4.840 4.556 0.000 0.000 0.277 119 H C 0.694 175.977 175.328 -0.074 0.000 1.004 119 H CA 0.007 55.983 56.048 -0.121 0.000 1.231 119 H CB -0.572 29.115 29.762 -0.125 0.000 1.382 119 H HN 0.378 nan 8.280 nan 0.000 0.580 120 L N 2.912 123.807 121.223 -0.547 0.000 2.436 120 L HA 0.070 4.410 4.340 0.000 0.000 0.265 120 L C 0.402 177.217 176.870 -0.091 0.000 1.168 120 L CA -0.583 54.089 54.840 -0.281 0.000 0.815 120 L CB 0.724 42.609 42.059 -0.289 0.000 1.109 120 L HN 0.271 nan 8.230 nan 0.000 0.462 121 D N -0.551 119.836 120.400 -0.022 0.000 2.360 121 D HA 0.001 4.642 4.640 0.000 0.000 0.242 121 D C 0.384 176.710 176.300 0.042 0.000 1.184 121 D CA -0.475 53.536 54.000 0.018 0.000 0.930 121 D CB 0.646 41.462 40.800 0.027 0.000 1.161 121 D HN 0.383 nan 8.370 nan 0.000 0.447 122 D N -0.092 120.344 120.400 0.060 0.000 2.106 122 D HA -0.173 4.467 4.640 0.000 0.000 0.191 122 D C 1.316 177.674 176.300 0.097 0.000 0.997 122 D CA 1.354 55.405 54.000 0.085 0.000 0.834 122 D CB -0.302 40.542 40.800 0.074 0.000 0.956 122 D HN 0.462 nan 8.370 nan 0.000 0.448 123 D N -0.516 119.929 120.400 0.076 0.000 2.144 123 D HA -0.082 4.558 4.640 0.000 0.000 0.199 123 D C 1.990 178.351 176.300 0.101 0.000 0.984 123 D CA 1.115 55.163 54.000 0.081 0.000 0.834 123 D CB -0.452 40.382 40.800 0.056 0.000 0.955 123 D HN 0.191 nan 8.370 nan 0.000 0.465 124 T N 0.903 115.508 114.554 0.085 0.000 2.857 124 T HA -0.025 4.325 4.350 0.000 0.000 0.266 124 T C 2.053 176.832 174.700 0.132 0.000 1.048 124 T CA 0.184 62.337 62.100 0.089 0.000 1.139 124 T CB -0.155 68.743 68.868 0.050 0.000 0.874 124 T HN 0.114 nan 8.240 nan 0.000 0.455 125 L N 0.557 121.862 121.223 0.137 0.000 2.046 125 L HA -0.019 4.321 4.340 0.000 0.000 0.208 125 L C 2.203 179.288 176.870 0.358 0.000 1.077 125 L CA 1.421 56.395 54.840 0.224 0.000 0.747 125 L CB -0.277 41.894 42.059 0.188 0.000 0.896 125 L HN 0.240 nan 8.230 nan 0.000 0.432 126 I N -0.725 120.028 120.570 0.304 0.000 2.179 126 I HA -0.290 3.880 4.170 0.000 0.000 0.242 126 I C 2.359 178.723 176.117 0.411 0.000 1.088 126 I CA 1.686 63.232 61.300 0.410 0.000 1.357 126 I CB -0.566 37.608 38.000 0.291 0.000 1.051 126 I HN 0.255 nan 8.210 nan 0.000 0.409 127 T N 0.755 115.472 114.554 0.270 0.000 2.746 127 T HA -0.159 4.191 4.350 0.000 0.000 0.267 127 T C 2.035 176.867 174.700 0.220 0.000 1.039 127 T CA 1.474 63.704 62.100 0.216 0.000 1.142 127 T CB -0.288 68.667 68.868 0.145 0.000 0.866 127 T HN 0.481 nan 8.240 nan 0.000 0.444 128 A N 0.695 123.670 122.820 0.259 0.000 1.930 128 A HA 0.006 4.326 4.320 0.000 0.000 0.217 128 A C 1.995 179.762 177.584 0.306 0.000 1.175 128 A CA 1.150 53.357 52.037 0.282 0.000 0.627 128 A CB -0.882 18.306 19.000 0.313 0.000 0.815 128 A HN 0.464 nan 8.150 nan 0.000 0.443 129 F N 0.378 120.377 119.950 0.082 0.000 2.146 129 F HA -0.092 4.435 4.527 0.000 0.000 0.298 129 F C 2.365 177.901 175.800 -0.439 0.000 1.096 129 F CA 1.828 59.520 58.000 -0.514 0.000 1.275 129 F CB -0.262 38.222 39.000 -0.859 0.000 1.008 129 F HN 0.196 nan 8.300 nan 0.000 0.480 130 R N 0.185 120.692 120.500 0.011 0.000 2.091 130 R HA -0.172 4.168 4.340 0.000 0.000 0.238 130 R C 2.339 178.572 176.300 -0.111 0.000 1.136 130 R CA 1.429 57.567 56.100 0.064 0.000 0.959 130 R CB -0.634 29.863 30.300 0.328 0.000 0.856 130 R HN 0.344 nan 8.270 nan 0.000 0.437 131 A N -0.264 122.527 122.820 -0.048 0.000 1.933 131 A HA -0.133 4.187 4.320 0.000 0.000 0.218 131 A C 2.161 179.644 177.584 -0.168 0.000 1.175 131 A CA 1.990 53.993 52.037 -0.057 0.000 0.628 131 A CB -0.821 18.189 19.000 0.016 0.000 0.814 131 A HN 0.446 nan 8.150 nan 0.000 0.444 132 T N 0.581 114.962 114.554 -0.288 0.000 2.746 132 T HA -0.087 4.263 4.350 0.000 0.000 0.267 132 T C 1.804 176.135 174.700 -0.615 0.000 1.039 132 T CA 1.483 63.307 62.100 -0.460 0.000 1.142 132 T CB -0.394 68.077 68.868 -0.662 0.000 0.866 132 T HN 0.393 nan 8.240 nan 0.000 0.444 133 L N 0.647 121.394 121.223 -0.793 0.000 2.046 133 L HA -0.081 4.259 4.340 0.000 0.000 0.208 133 L C 2.668 179.312 176.870 -0.377 0.000 1.077 133 L CA 0.977 55.276 54.840 -0.902 0.000 0.747 133 L CB -0.826 40.485 42.059 -1.247 0.000 0.896 133 L HN 0.148 nan 8.230 nan 0.000 0.432 134 V N -0.047 119.740 119.914 -0.212 0.000 2.343 134 V HA -0.252 3.868 4.120 0.000 0.000 0.247 134 V C 2.528 178.611 176.094 -0.019 0.000 1.051 134 V CA 1.938 64.228 62.300 -0.017 0.000 1.036 134 V CB -0.417 31.409 31.823 0.006 0.000 0.654 134 V HN 0.431 nan 8.190 nan 0.000 0.451 135 E N 0.287 120.437 120.200 -0.082 0.000 2.150 135 E HA -0.188 4.162 4.350 0.000 0.000 0.193 135 E C 2.144 178.724 176.600 -0.033 0.000 0.985 135 E CA 1.118 57.484 56.400 -0.056 0.000 0.814 135 E CB -0.205 29.447 29.700 -0.081 0.000 0.752 135 E HN 0.503 nan 8.360 nan 0.000 0.466 136 E N -0.277 119.889 120.200 -0.057 0.000 2.150 136 E HA -0.140 4.210 4.350 0.000 0.000 0.193 136 E C 2.200 178.884 176.600 0.139 0.000 0.985 136 E CA 0.996 57.424 56.400 0.047 0.000 0.814 136 E CB -0.498 29.254 29.700 0.087 0.000 0.752 136 E HN 0.369 nan 8.360 nan 0.000 0.466 137 C N 0.686 120.084 119.300 0.163 0.000 2.453 137 C HA -0.031 4.429 4.460 0.000 0.000 0.277 137 C C 2.872 177.899 174.990 0.062 0.000 1.262 137 C CA 0.779 59.873 59.018 0.127 0.000 1.718 137 C CB -1.001 26.829 27.740 0.149 0.000 2.031 137 C HN 0.484 nan 8.230 nan 0.000 0.480 138 A N 0.603 123.453 122.820 0.050 0.000 1.908 138 A HA -0.245 4.075 4.320 0.000 0.000 0.218 138 A C 2.248 179.854 177.584 0.037 0.000 1.181 138 A CA 1.976 54.033 52.037 0.033 0.000 0.627 138 A CB -0.673 18.341 19.000 0.023 0.000 0.818 138 A HN 0.661 nan 8.150 nan 0.000 0.445 139 R N -0.873 119.652 120.500 0.041 0.000 2.081 139 R HA -0.183 4.157 4.340 0.000 0.000 0.235 139 R C 2.338 178.678 176.300 0.065 0.000 1.131 139 R CA 1.766 57.895 56.100 0.047 0.000 0.960 139 R CB -0.221 30.104 30.300 0.042 0.000 0.856 139 R HN 0.382 nan 8.270 nan 0.000 0.436 140 R N 0.697 121.242 120.500 0.076 0.000 2.091 140 R HA -0.045 4.295 4.340 0.000 0.000 0.238 140 R C 2.042 178.399 176.300 0.095 0.000 1.136 140 R CA 1.577 57.736 56.100 0.099 0.000 0.959 140 R CB -0.495 29.864 30.300 0.099 0.000 0.856 140 R HN 0.319 nan 8.270 nan 0.000 0.437 141 L N 0.087 121.345 121.223 0.058 0.000 2.465 141 L HA 0.006 4.346 4.340 0.000 0.000 0.224 141 L C 0.471 177.376 176.870 0.057 0.000 1.145 141 L CA 0.293 55.164 54.840 0.051 0.000 0.834 141 L CB -0.396 41.675 42.059 0.021 0.000 0.944 141 L HN 0.164 nan 8.230 nan 0.000 0.451 142 N N 1.643 120.378 118.700 0.057 0.000 2.801 142 N HA 0.099 4.839 4.740 0.000 0.000 0.235 142 N C -1.015 174.537 175.510 0.069 0.000 1.069 142 N CA -0.045 53.036 53.050 0.051 0.000 0.946 142 N CB 0.062 38.572 38.487 0.039 0.000 1.212 142 N HN 0.011 nan 8.380 nan 0.000 0.509 143 N N 3.038 121.788 118.700 0.082 0.000 2.478 143 N HA 0.371 5.111 4.740 0.000 0.000 0.291 143 N C -2.207 173.364 175.510 0.103 0.000 1.090 143 N CA -1.621 51.502 53.050 0.121 0.000 0.911 143 N CB 2.006 40.588 38.487 0.158 0.000 1.546 143 N HN 0.181 nan 8.380 nan 0.000 0.500 144 P HA 0.006 nan 4.420 nan 0.000 0.225 144 P C 0.609 177.831 177.300 -0.131 0.000 1.148 144 P CA 0.923 63.983 63.100 -0.066 0.000 0.779 144 P CB 0.128 31.731 31.700 -0.162 0.000 0.780 145 W N 0.659 121.972 121.300 0.021 0.000 3.139 145 W HA 0.347 5.007 4.660 0.000 0.000 0.260 145 W C 1.342 177.877 176.519 0.026 0.000 1.312 145 W CA 1.218 58.575 57.345 0.020 0.000 1.606 145 W CB -0.394 29.076 29.460 0.017 0.000 1.118 145 W HN 0.061 nan 8.180 nan 0.000 0.675 146 G N 0.605 109.529 108.800 0.206 0.000 2.796 146 G HA2 -0.036 3.924 3.960 0.000 0.000 0.226 146 G HA3 -0.036 3.924 3.960 0.000 0.000 0.226 146 G C -0.587 174.410 174.900 0.161 0.000 1.381 146 G CA -0.386 44.802 45.100 0.147 0.000 0.867 146 G HN 0.711 nan 8.290 nan 0.000 0.552 147 V N -3.477 116.523 119.914 0.143 0.000 3.130 147 V HA 0.960 5.080 4.120 0.000 0.000 0.310 147 V C 0.851 177.031 176.094 0.144 0.000 1.158 147 V CA 0.345 62.743 62.300 0.163 0.000 1.029 147 V CB 1.378 33.362 31.823 0.267 0.000 1.057 147 V HN 2.458 nan 8.190 nan 0.000 0.436 148 T N -1.133 113.507 114.554 0.143 0.000 2.795 148 T HA 0.146 4.496 4.350 0.000 0.000 0.314 148 T C 1.178 175.980 174.700 0.170 0.000 1.069 148 T CA 0.881 63.063 62.100 0.138 0.000 1.071 148 T CB 0.487 69.425 68.868 0.116 0.000 0.988 148 T HN 0.953 nan 8.240 nan 0.000 0.543 149 T N 1.909 116.569 114.554 0.177 0.000 2.684 149 T HA -0.024 4.326 4.350 0.000 0.000 0.267 149 T C 2.247 177.086 174.700 0.231 0.000 1.036 149 T CA 1.725 63.940 62.100 0.191 0.000 1.148 149 T CB -1.031 67.979 68.868 0.237 0.000 0.863 149 T HN 0.868 nan 8.240 nan 0.000 0.436 150 G N -0.112 108.916 108.800 0.381 0.000 2.403 150 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 150 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 150 G C 1.354 176.386 174.900 0.220 0.000 1.154 150 G CA 0.743 46.116 45.100 0.455 0.000 0.784 150 G HN 0.530 nan 8.290 nan 0.000 0.538 151 H N 0.513 119.631 119.070 0.080 0.000 2.389 151 H HA 0.048 4.604 4.556 0.000 0.000 0.299 151 H C 2.527 177.849 175.328 -0.010 0.000 1.081 151 H CA 1.656 57.711 56.048 0.012 0.000 1.345 151 H CB -0.062 29.718 29.762 0.031 0.000 1.393 151 H HN 0.322 nan 8.280 nan 0.000 0.520 152 R N -0.306 120.222 120.500 0.048 0.000 2.081 152 R HA -0.122 4.218 4.340 0.000 0.000 0.235 152 R C 2.166 178.416 176.300 -0.083 0.000 1.131 152 R CA 1.554 57.636 56.100 -0.031 0.000 0.960 152 R CB -0.402 29.909 30.300 0.018 0.000 0.856 152 R HN 0.386 nan 8.270 nan 0.000 0.436 153 L N 0.748 121.925 121.223 -0.077 0.000 1.994 153 L HA -0.060 4.280 4.340 0.000 0.000 0.208 153 L C 2.337 179.106 176.870 -0.169 0.000 1.071 153 L CA 2.315 57.080 54.840 -0.125 0.000 0.745 153 L CB -0.819 41.134 42.059 -0.176 0.000 0.892 153 L HN 0.257 nan 8.230 nan 0.000 0.431 154 A N -1.024 121.633 122.820 -0.272 0.000 1.908 154 A HA -0.155 4.165 4.320 0.000 0.000 0.218 154 A C 2.241 179.650 177.584 -0.292 0.000 1.181 154 A CA 2.125 53.832 52.037 -0.551 0.000 0.627 154 A CB -1.183 17.247 19.000 -0.950 0.000 0.818 154 A HN 0.350 nan 8.150 nan 0.000 0.445 155 V N -0.286 119.460 119.914 -0.281 0.000 2.515 155 V HA -0.188 3.932 4.120 0.000 0.000 0.250 155 V C 2.677 178.720 176.094 -0.084 0.000 1.058 155 V CA 2.307 64.488 62.300 -0.199 0.000 1.064 155 V CB -1.179 30.436 31.823 -0.348 0.000 0.675 155 V HN 0.614 nan 8.190 nan 0.000 0.461 156 T N 0.569 115.076 114.554 -0.079 0.000 2.737 156 T HA -0.091 4.259 4.350 0.000 0.000 0.265 156 T C 1.908 176.602 174.700 -0.010 0.000 1.038 156 T CA 1.427 63.508 62.100 -0.033 0.000 1.144 156 T CB -0.270 68.579 68.868 -0.032 0.000 0.866 156 T HN 0.298 nan 8.240 nan 0.000 0.434 157 L N 0.801 122.031 121.223 0.012 0.000 2.046 157 L HA -0.159 4.181 4.340 0.000 0.000 0.208 157 L C 2.929 179.775 176.870 -0.040 0.000 1.077 157 L CA 1.454 56.336 54.840 0.069 0.000 0.747 157 L CB -0.579 41.597 42.059 0.195 0.000 0.896 157 L HN 0.312 nan 8.230 nan 0.000 0.432 158 Q N -0.244 119.567 119.800 0.018 0.000 2.084 158 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 158 Q C 1.562 177.418 176.000 -0.240 0.000 0.978 158 Q CA 1.182 56.911 55.803 -0.124 0.000 0.844 158 Q CB 0.098 28.843 28.738 0.010 0.000 0.898 158 Q HN 0.405 nan 8.270 nan 0.000 0.426 162 H N 1.184 120.231 119.070 -0.038 0.000 2.457 162 H HA -0.002 4.554 4.556 0.000 0.000 0.297 162 H C 1.914 177.313 175.328 0.118 0.000 1.092 162 H CA 1.617 57.734 56.048 0.115 0.000 1.309 162 H CB -0.041 29.792 29.762 0.118 0.000 1.382 162 H HN 0.542 nan 8.280 nan 0.000 0.535 163 R N 0.146 120.745 120.500 0.165 0.000 2.235 163 R HA 0.173 4.513 4.340 0.000 0.000 0.213 163 R C 1.012 177.377 176.300 0.107 0.000 1.059 163 R CA 0.441 56.617 56.100 0.127 0.000 0.997 163 R CB 0.382 30.736 30.300 0.091 0.000 0.884 163 R HN 0.078 nan 8.270 nan 0.000 0.462 164 A N 0.704 123.584 122.820 0.100 0.000 2.264 164 A HA 0.179 4.499 4.320 0.000 0.000 0.304 164 A C 0.018 177.625 177.584 0.037 0.000 1.100 164 A CA -0.676 51.418 52.037 0.095 0.000 0.839 164 A CB 0.690 19.789 19.000 0.164 0.000 1.121 164 A HN -0.012 nan 8.150 nan 0.000 0.496 165 D N -0.173 120.232 120.400 0.009 0.000 2.271 165 D HA 0.123 4.763 4.640 0.000 0.000 0.206 165 D C 0.057 176.357 176.300 0.001 0.000 0.967 165 D CA 1.374 55.339 54.000 -0.059 0.000 0.867 165 D CB 0.179 40.941 40.800 -0.063 0.000 0.960 165 D HN 0.476 nan 8.370 nan 0.000 0.509 166 I N 0.920 121.538 120.570 0.081 0.000 2.466 166 I HA 0.223 4.393 4.170 0.000 0.000 0.289 166 I C -0.904 175.327 176.117 0.191 0.000 1.026 166 I CA -0.775 60.617 61.300 0.153 0.000 1.078 166 I CB 3.068 41.185 38.000 0.195 0.000 1.249 166 I HN -0.408 nan 8.210 nan 0.000 0.429 167 V N 7.224 127.258 119.914 0.200 0.000 2.444 167 V HA 0.477 4.597 4.120 0.000 0.000 0.294 167 V C -0.328 175.869 176.094 0.172 0.000 1.022 167 V CA -0.476 61.963 62.300 0.231 0.000 0.850 167 V CB 1.932 33.882 31.823 0.212 0.000 0.992 167 V HN 0.458 nan 8.190 nan 0.000 0.426 168 L N 4.035 125.346 121.223 0.147 0.000 2.343 168 L HA 0.581 4.921 4.340 0.000 0.000 0.278 168 L C -0.868 176.033 176.870 0.051 0.000 0.996 168 L CA -0.435 54.445 54.840 0.067 0.000 0.831 168 L CB 1.866 43.961 42.059 0.059 0.000 1.232 168 L HN 0.508 nan 8.230 nan 0.000 0.413 169 D N 4.389 124.824 120.400 0.058 0.000 2.329 169 D HA 0.397 5.037 4.640 0.000 0.000 0.232 169 D C -0.668 175.708 176.300 0.126 0.000 1.088 169 D CA -0.163 53.896 54.000 0.099 0.000 0.835 169 D CB 1.177 42.069 40.800 0.152 0.000 1.078 169 D HN 0.302 nan 8.370 nan 0.000 0.495 170 L N 4.903 126.140 121.223 0.023 0.000 2.257 170 L HA 0.394 4.734 4.340 0.000 0.000 0.290 170 L C 0.637 177.456 176.870 -0.085 0.000 1.044 170 L CA -0.513 54.326 54.840 -0.001 0.000 0.810 170 L CB 0.850 42.885 42.059 -0.040 0.000 1.193 170 L HN 0.358 nan 8.230 nan 0.000 0.425 171 H N 1.170 120.229 119.070 -0.018 0.000 2.869 171 H HA 0.646 5.202 4.556 0.000 0.000 0.342 171 H C -0.475 174.858 175.328 0.010 0.000 1.250 171 H CA -0.532 55.530 56.048 0.024 0.000 1.217 171 H CB 2.623 32.420 29.762 0.059 0.000 1.917 171 H HN 0.585 nan 8.280 nan 0.000 0.586 172 T N -1.652 113.012 114.554 0.184 0.000 2.883 172 T HA 0.561 4.911 4.350 0.000 0.000 0.296 172 T C 0.253 175.044 174.700 0.153 0.000 1.117 172 T CA -0.644 61.523 62.100 0.111 0.000 1.006 172 T CB 1.858 70.765 68.868 0.065 0.000 1.191 172 T HN 0.665 nan 8.240 nan 0.000 0.508 173 G N 0.664 109.551 108.800 0.145 0.000 2.532 173 G HA2 0.628 4.588 3.960 0.000 0.000 0.291 173 G HA3 0.628 4.588 3.960 0.000 0.000 0.291 173 G C -1.919 173.026 174.900 0.075 0.000 1.349 173 G CA -1.541 43.660 45.100 0.168 0.000 1.038 173 G HN 0.614 nan 8.290 nan 0.000 0.518 174 P HA 0.111 nan 4.420 nan 0.000 0.200 174 P C -0.109 177.117 177.300 -0.124 0.000 1.198 174 P CA 0.683 63.764 63.100 -0.033 0.000 0.892 174 P CB 0.363 32.036 31.700 -0.044 0.000 0.724 175 K N 0.473 120.701 120.400 -0.286 0.000 2.292 175 K HA 0.536 4.856 4.320 0.000 0.000 0.270 175 K C -0.080 176.296 176.600 -0.372 0.000 1.062 175 K CA -0.001 56.024 56.287 -0.435 0.000 0.916 175 K CB 0.957 32.916 32.500 -0.902 0.000 1.166 175 K HN 0.101 nan 8.250 nan 0.000 0.458 176 S N 1.432 117.032 115.700 -0.167 0.000 2.556 176 S HA 0.446 4.916 4.470 0.000 0.000 0.271 176 S C -0.222 174.390 174.600 0.019 0.000 1.135 176 S CA -0.760 57.411 58.200 -0.049 0.000 0.858 176 S CB 0.630 63.880 63.200 0.084 0.000 1.114 176 S HN 0.724 nan 8.310 nan 0.000 0.468 177 C N 2.314 121.650 119.300 0.060 0.000 2.396 177 C HA 0.685 5.145 4.460 0.000 0.000 0.359 177 C C 0.065 175.186 174.990 0.218 0.000 1.307 177 C CA -0.896 58.188 59.018 0.109 0.000 2.392 177 C CB -0.514 27.285 27.740 0.100 0.000 2.245 177 C HN 0.897 nan 8.230 nan 0.000 0.615 178 K N 2.364 122.869 120.400 0.175 0.000 2.322 178 K HA 0.402 4.722 4.320 0.000 0.000 0.283 178 K C 0.081 176.814 176.600 0.221 0.000 1.042 178 K CA 0.333 56.706 56.287 0.144 0.000 0.958 178 K CB 0.274 32.816 32.500 0.071 0.000 0.984 178 K HN 0.963 nan 8.250 nan 0.000 0.473 179 H N 1.008 120.072 119.070 -0.009 0.000 2.990 179 H HA 0.570 5.126 4.556 0.000 0.000 0.343 179 H C -1.806 173.440 175.328 -0.137 0.000 1.270 179 H CA -1.222 54.782 56.048 -0.073 0.000 1.118 179 H CB 1.194 30.880 29.762 -0.127 0.000 1.861 179 H HN 0.375 nan 8.280 nan 0.000 0.544 180 L N 1.271 122.388 121.223 -0.175 0.000 2.431 180 L HA 0.436 4.776 4.340 0.000 0.000 0.266 180 L C -1.872 174.818 176.870 -0.299 0.000 0.978 180 L CA -0.604 54.088 54.840 -0.248 0.000 0.822 180 L CB 1.735 43.636 42.059 -0.263 0.000 1.310 180 L HN 0.564 nan 8.230 nan 0.000 0.409 181 Y N 3.912 124.113 120.300 -0.165 0.000 2.326 181 Y HA 0.584 5.134 4.550 0.000 0.000 0.337 181 Y C 0.109 175.929 175.900 -0.133 0.000 1.023 181 Y CA -0.063 57.972 58.100 -0.109 0.000 1.143 181 Y CB 1.650 40.079 38.460 -0.051 0.000 1.183 181 Y HN 0.699 nan 8.280 nan 0.000 0.485 182 C N 7.115 126.408 119.300 -0.011 0.000 2.551 182 C HA 0.584 5.044 4.460 0.000 0.000 0.332 182 C C -2.721 172.172 174.990 -0.162 0.000 1.139 182 C CA -2.400 56.541 59.018 -0.128 0.000 1.328 182 C CB 0.996 28.633 27.740 -0.172 0.000 1.903 182 C HN 0.567 nan 8.230 nan 0.000 0.459 183 P HA 0.204 nan 4.420 nan 0.000 0.271 183 P C 0.414 177.430 177.300 -0.474 0.000 1.218 183 P CA 0.393 63.178 63.100 -0.525 0.000 0.780 183 P CB 0.566 31.487 31.700 -1.298 0.000 0.901 184 E N 1.359 121.519 120.200 -0.068 0.000 2.160 184 E HA -0.238 4.112 4.350 0.000 0.000 0.195 184 E C 1.488 178.041 176.600 -0.078 0.000 0.991 184 E CA 1.450 57.904 56.400 0.090 0.000 0.810 184 E CB -0.574 29.393 29.700 0.446 0.000 0.742 184 E HN 0.660 nan 8.360 nan 0.000 0.466 185 Y N 0.320 120.397 120.300 -0.372 0.000 2.574 185 Y HA 0.077 4.627 4.550 0.000 0.000 0.294 185 Y C 1.114 176.865 175.900 -0.248 0.000 1.142 185 Y CA 0.642 58.505 58.100 -0.395 0.000 1.314 185 Y CB 0.019 37.964 38.460 -0.859 0.000 0.991 185 Y HN -0.154 nan 8.280 nan 0.000 0.555 186 E N 1.138 120.947 120.200 -0.652 0.000 4.044 186 E HA 0.149 4.499 4.350 0.000 0.000 0.216 186 E C 1.229 177.715 176.600 -0.190 0.000 1.104 186 E CA -0.280 55.925 56.400 -0.324 0.000 1.383 186 E CB 0.150 29.647 29.700 -0.338 0.000 1.195 186 E HN 0.454 nan 8.360 nan 0.000 0.442 187 R N 0.277 120.702 120.500 -0.124 0.000 2.139 187 R HA -0.162 4.178 4.340 0.000 0.000 0.243 187 R C 1.899 178.183 176.300 -0.027 0.000 1.145 187 R CA 2.273 58.330 56.100 -0.071 0.000 0.976 187 R CB -0.074 30.216 30.300 -0.017 0.000 0.866 187 R HN 0.262 nan 8.270 nan 0.000 0.449 188 S N -0.181 115.534 115.700 0.025 0.000 2.442 188 S HA -0.092 4.378 4.470 0.000 0.000 0.236 188 S C 2.099 176.795 174.600 0.159 0.000 1.007 188 S CA 0.843 59.085 58.200 0.071 0.000 0.965 188 S CB -0.213 63.075 63.200 0.146 0.000 0.773 188 S HN 0.476 nan 8.310 nan 0.000 0.504 189 A N 2.116 125.062 122.820 0.210 0.000 1.940 189 A HA 0.215 4.535 4.320 0.000 0.000 0.219 189 A C 2.531 180.303 177.584 0.313 0.000 1.176 189 A CA 1.703 53.960 52.037 0.367 0.000 0.631 189 A CB -1.460 17.659 19.000 0.200 0.000 0.814 189 A HN 0.922 nan 8.150 nan 0.000 0.446 190 A N -1.039 121.847 122.820 0.110 0.000 2.024 190 A HA -0.179 4.141 4.320 0.000 0.000 0.220 190 A C 1.965 179.525 177.584 -0.040 0.000 1.164 190 A CA 1.551 53.618 52.037 0.049 0.000 0.643 190 A CB -0.400 18.550 19.000 -0.084 0.000 0.806 190 A HN 0.519 nan 8.150 nan 0.000 0.451 191 Q N -1.510 118.167 119.800 -0.206 0.000 2.364 191 Q HA -0.137 4.203 4.340 0.000 0.000 0.207 191 Q C 1.166 176.792 176.000 -0.623 0.000 0.970 191 Q CA 1.248 56.768 55.803 -0.471 0.000 0.888 191 Q CB -0.320 28.011 28.738 -0.678 0.000 0.951 191 Q HN 0.923 nan 8.270 nan 0.000 0.469 192 Y N -1.620 118.612 120.300 -0.113 0.000 2.479 192 Y HA 0.110 4.660 4.550 0.000 0.000 0.283 192 Y C 0.777 176.536 175.900 -0.235 0.000 1.109 192 Y CA -0.454 57.524 58.100 -0.204 0.000 1.239 192 Y CB 0.086 38.408 38.460 -0.231 0.000 1.108 192 Y HN -0.091 nan 8.280 nan 0.000 0.548 193 F N 0.019 120.006 119.950 0.062 0.000 2.399 193 F HA 0.199 4.726 4.527 0.000 0.000 0.313 193 F C 1.110 176.883 175.800 -0.045 0.000 1.202 193 F CA -0.125 57.875 58.000 -0.000 0.000 1.192 193 F CB 0.482 39.449 39.000 -0.054 0.000 1.256 193 F HN -0.380 nan 8.300 nan 0.000 0.558 194 S N 1.946 117.744 115.700 0.163 0.000 2.979 194 S HA 0.437 4.907 4.470 0.000 0.000 0.210 194 S C -0.299 174.325 174.600 0.040 0.000 1.364 194 S CA -0.210 58.026 58.200 0.059 0.000 1.208 194 S CB -0.916 62.313 63.200 0.048 0.000 1.167 194 S HN 0.280 nan 8.310 nan 0.000 0.519 195 I N 2.926 123.509 120.570 0.021 0.000 2.439 195 I HA 0.280 4.450 4.170 0.000 0.000 0.285 195 I C -1.697 174.367 176.117 -0.088 0.000 1.021 195 I CA -2.268 59.021 61.300 -0.017 0.000 1.091 195 I CB 2.568 40.546 38.000 -0.036 0.000 1.242 195 I HN 0.068 nan 8.210 nan 0.000 0.439 196 P HA -0.084 nan 4.420 nan 0.000 0.221 196 P C -0.425 176.519 177.300 -0.594 0.000 1.150 196 P CA 1.275 64.170 63.100 -0.341 0.000 0.800 196 P CB 0.178 31.691 31.700 -0.312 0.000 0.787 197 Y N -0.915 119.370 120.300 -0.024 0.000 2.373 197 Y HA 0.446 4.996 4.550 0.000 0.000 0.336 197 Y C 0.209 176.013 175.900 -0.160 0.000 0.979 197 Y CA -0.575 57.476 58.100 -0.081 0.000 1.080 197 Y CB 1.846 40.250 38.460 -0.094 0.000 1.190 197 Y HN -0.361 nan 8.280 nan 0.000 0.446 198 T N 4.767 119.256 114.554 -0.109 0.000 2.848 198 T HA 0.554 4.904 4.350 0.000 0.000 0.285 198 T C -0.670 173.843 174.700 -0.312 0.000 0.995 198 T CA -0.713 61.253 62.100 -0.223 0.000 0.970 198 T CB 0.907 69.642 68.868 -0.222 0.000 0.976 198 T HN 0.366 nan 8.240 nan 0.000 0.441 199 L N 3.633 124.617 121.223 -0.399 0.000 2.257 199 L HA 0.469 4.809 4.340 0.000 0.000 0.290 199 L C -0.336 176.411 176.870 -0.205 0.000 1.044 199 L CA -0.719 53.891 54.840 -0.383 0.000 0.810 199 L CB 0.666 42.348 42.059 -0.629 0.000 1.193 199 L HN 0.404 nan 8.230 nan 0.000 0.425 200 L N 5.868 126.985 121.223 -0.176 0.000 2.281 200 L HA 0.467 4.807 4.340 0.000 0.000 0.285 200 L C 0.047 176.998 176.870 0.135 0.000 1.074 200 L CA -0.260 54.530 54.840 -0.083 0.000 0.817 200 L CB 0.722 42.619 42.059 -0.271 0.000 1.168 200 L HN 0.561 nan 8.230 nan 0.000 0.434 201 I N 2.371 123.058 120.570 0.195 0.000 2.603 201 I HA 0.714 4.885 4.170 0.000 0.000 0.300 201 I C -2.553 173.802 176.117 0.397 0.000 1.017 201 I CA -2.324 59.162 61.300 0.309 0.000 1.098 201 I CB 2.319 40.534 38.000 0.358 0.000 1.279 201 I HN 0.278 nan 8.210 nan 0.000 0.437 202 P HA 0.146 nan 4.420 nan 0.000 0.284 202 P C -0.898 176.488 177.300 0.143 0.000 1.292 202 P CA -0.568 62.685 63.100 0.255 0.000 0.800 202 P CB 0.563 32.345 31.700 0.137 0.000 1.188 203 N N 0.152 118.548 118.700 -0.507 0.000 2.671 203 N HA 0.149 4.889 4.740 0.000 0.000 0.274 203 N C -1.027 174.446 175.510 -0.062 0.000 1.188 203 N CA 0.452 53.181 53.050 -0.535 0.000 1.065 203 N CB -1.224 36.471 38.487 -1.319 0.000 1.415 203 N HN 0.233 nan 8.380 nan 0.000 0.511 204 S N 3.207 119.019 115.700 0.186 0.000 2.566 204 S HA 0.365 4.835 4.470 0.000 0.000 0.273 204 S C -1.382 173.335 174.600 0.195 0.000 1.157 204 S CA -0.760 57.532 58.200 0.153 0.000 0.938 204 S CB 0.125 63.395 63.200 0.117 0.000 1.087 204 S HN 0.311 nan 8.310 nan 0.000 0.474 205 F N 4.202 124.174 119.950 0.037 0.000 2.424 205 F HA 0.626 5.153 4.527 0.000 0.000 0.356 205 F C 1.000 176.812 175.800 0.020 0.000 1.110 205 F CA 0.148 58.151 58.000 0.005 0.000 1.161 205 F CB 1.024 40.019 39.000 -0.008 0.000 1.115 205 F HN 0.689 nan 8.300 nan 0.000 0.507 206 G N 2.539 110.982 108.800 -0.594 0.000 3.839 206 G HA2 0.402 4.362 3.960 0.000 0.000 0.286 206 G HA3 0.402 4.362 3.960 0.000 0.000 0.286 206 G C 0.831 175.428 174.900 -0.505 0.000 1.005 206 G CA 0.050 44.927 45.100 -0.372 0.000 0.824 206 G HN 1.449 nan 8.290 nan 0.000 0.489 207 G N -0.952 107.160 108.800 -1.145 0.000 2.213 207 G HA2 0.117 4.077 3.960 0.000 0.000 0.236 207 G HA3 0.117 4.077 3.960 0.000 0.000 0.236 207 G C 0.727 175.522 174.900 -0.174 0.000 0.991 207 G CA 0.394 45.204 45.100 -0.484 0.000 0.629 207 G HN 1.382 nan 8.290 nan 0.000 0.517 211 E N 1.475 121.277 120.200 -0.664 0.000 2.085 211 E HA -0.020 4.330 4.350 0.000 0.000 0.194 211 E C 2.168 178.514 176.600 -0.423 0.000 0.994 211 E CA 1.838 57.636 56.400 -1.005 0.000 0.801 211 E CB -0.184 29.183 29.700 -0.555 0.000 0.743 211 E HN 0.442 nan 8.360 nan 0.000 0.453 212 A N 1.313 124.058 122.820 -0.125 0.000 1.940 212 A HA -0.136 4.184 4.320 0.000 0.000 0.219 212 A C 2.355 180.043 177.584 0.172 0.000 1.176 212 A CA 1.764 53.923 52.037 0.203 0.000 0.631 212 A CB -0.624 18.473 19.000 0.161 0.000 0.814 212 A HN 0.302 nan 8.150 nan 0.000 0.446 213 A N -0.485 122.359 122.820 0.041 0.000 1.897 213 A HA 0.154 4.474 4.320 0.000 0.000 0.215 213 A C 1.889 179.771 177.584 0.497 0.000 1.181 213 A CA 1.570 53.757 52.037 0.249 0.000 0.620 213 A CB -0.606 18.487 19.000 0.156 0.000 0.821 213 A HN 1.013 nan 8.150 nan 0.000 0.443 214 F N -1.552 118.660 119.950 0.438 0.000 2.582 214 F HA 0.236 4.763 4.527 0.000 0.000 0.290 214 F C 1.654 177.781 175.800 0.545 0.000 1.115 214 F CA 0.258 58.566 58.000 0.513 0.000 1.445 214 F CB -0.893 38.408 39.000 0.503 0.000 1.126 214 F HN -0.073 nan 8.300 nan 0.000 0.574 215 V N 2.269 122.470 119.914 0.477 0.000 2.332 215 V HA -0.197 3.923 4.120 0.000 0.000 0.248 215 V C -0.178 176.143 176.094 0.378 0.000 1.055 215 V CA 2.428 65.033 62.300 0.508 0.000 1.038 215 V CB -1.876 30.123 31.823 0.295 0.000 0.651 215 V HN 0.224 nan 8.190 nan 0.000 0.450 216 P HA -0.140 nan 4.420 nan 0.000 0.216 216 P C 1.251 178.638 177.300 0.145 0.000 1.153 216 P CA 1.575 64.747 63.100 0.119 0.000 0.848 216 P CB -0.135 31.513 31.700 -0.087 0.000 0.787 217 W N -2.065 119.424 121.300 0.316 0.000 2.388 217 W HA -0.071 4.589 4.660 -0.000 0.000 0.294 217 W C 2.369 178.929 176.519 0.069 0.000 1.212 217 W CA 0.103 57.524 57.345 0.126 0.000 1.271 217 W CB -1.152 28.386 29.460 0.131 0.000 1.126 217 W HN 0.018 nan 8.180 nan 0.000 0.535 218 W N 1.114 122.519 121.300 0.175 0.000 2.407 218 W HA -0.129 4.531 4.660 0.000 0.000 0.305 218 W C 2.080 178.602 176.519 0.005 0.000 1.196 218 W CA 2.179 59.526 57.345 0.005 0.000 1.311 218 W CB -1.073 28.445 29.460 0.097 0.000 1.135 218 W HN -0.261 nan 8.180 nan 0.000 0.514 219 T N 1.695 116.393 114.554 0.239 0.000 2.746 219 T HA -0.248 4.102 4.350 0.000 0.000 0.267 219 T C 1.788 176.476 174.700 -0.019 0.000 1.039 219 T CA 1.679 63.806 62.100 0.046 0.000 1.142 219 T CB -0.738 68.132 68.868 0.004 0.000 0.866 219 T HN 0.082 nan 8.240 nan 0.000 0.444 220 L N 1.392 122.559 121.223 -0.093 0.000 2.046 220 L HA 0.057 4.397 4.340 0.000 0.000 0.208 220 L C 2.582 179.369 176.870 -0.138 0.000 1.077 220 L CA 1.876 56.571 54.840 -0.241 0.000 0.747 220 L CB -0.937 40.719 42.059 -0.671 0.000 0.896 220 L HN 0.217 nan 8.230 nan 0.000 0.432 221 A N -0.862 121.941 122.820 -0.027 0.000 1.933 221 A HA -0.213 4.107 4.320 0.000 0.000 0.218 221 A C 2.153 179.739 177.584 0.003 0.000 1.175 221 A CA 1.753 53.794 52.037 0.006 0.000 0.628 221 A CB -0.599 18.430 19.000 0.049 0.000 0.814 221 A HN 0.615 nan 8.150 nan 0.000 0.444 222 E N -0.402 119.821 120.200 0.039 0.000 2.051 222 E HA -0.131 4.219 4.350 0.000 0.000 0.192 222 E C 2.018 178.573 176.600 -0.075 0.000 0.991 222 E CA 1.348 57.750 56.400 0.005 0.000 0.799 222 E CB -0.303 29.394 29.700 -0.006 0.000 0.748 222 E HN 0.381 nan 8.360 nan 0.000 0.449 223 V N 1.471 121.318 119.914 -0.112 0.000 2.287 223 V HA -0.305 3.815 4.120 0.000 0.000 0.248 223 V C 2.347 178.262 176.094 -0.299 0.000 1.053 223 V CA 1.951 64.152 62.300 -0.166 0.000 1.027 223 V CB -0.786 30.958 31.823 -0.131 0.000 0.646 223 V HN 0.339 nan 8.190 nan 0.000 0.447 224 A N -0.416 122.137 122.820 -0.444 0.000 1.883 224 A HA -0.227 4.093 4.320 0.000 0.000 0.217 224 A C 2.478 179.988 177.584 -0.122 0.000 1.186 224 A CA 2.362 54.122 52.037 -0.462 0.000 0.624 224 A CB -0.782 18.077 19.000 -0.235 0.000 0.822 224 A HN 0.516 nan 8.150 nan 0.000 0.444 225 S N 0.373 116.024 115.700 -0.082 0.000 2.382 225 S HA -0.163 4.307 4.470 0.000 0.000 0.228 225 S C 2.285 176.846 174.600 -0.065 0.000 1.027 225 S CA 1.617 59.797 58.200 -0.033 0.000 0.991 225 S CB -0.454 62.742 63.200 -0.007 0.000 0.823 225 S HN 0.921 nan 8.310 nan 0.000 0.469 226 S N 1.224 116.838 115.700 -0.143 0.000 2.442 226 S HA -0.144 4.326 4.470 0.000 0.000 0.236 226 S C 1.020 175.410 174.600 -0.351 0.000 1.007 226 S CA 1.081 59.136 58.200 -0.242 0.000 0.965 226 S CB -0.557 62.456 63.200 -0.312 0.000 0.773 226 S HN 0.681 nan 8.310 nan 0.000 0.504 227 H N 0.710 119.765 119.070 -0.024 0.000 2.505 227 H HA 0.465 5.021 4.556 0.000 0.000 0.289 227 H C 1.468 176.828 175.328 0.053 0.000 1.052 227 H CA 0.054 56.127 56.048 0.041 0.000 1.156 227 H CB 0.053 29.885 29.762 0.117 0.000 1.507 227 H HN 0.515 nan 8.280 nan 0.000 0.548 228 G N 1.369 110.218 108.800 0.082 0.000 2.179 228 G HA2 -0.359 3.601 3.960 0.000 0.000 0.257 228 G HA3 -0.359 3.601 3.960 0.000 0.000 0.257 228 G C 0.263 175.220 174.900 0.095 0.000 1.010 228 G CA 0.285 45.431 45.100 0.077 0.000 0.736 228 G HN 0.508 nan 8.290 nan 0.000 0.513 229 R N 0.018 120.584 120.500 0.109 0.000 2.437 229 R HA 0.550 4.890 4.340 0.000 0.000 0.310 229 R C -0.675 175.671 176.300 0.077 0.000 0.955 229 R CA -0.793 55.377 56.100 0.117 0.000 0.851 229 R CB 0.908 31.327 30.300 0.199 0.000 1.161 229 R HN 0.123 nan 8.270 nan 0.000 0.446 230 E N 4.700 124.941 120.200 0.069 0.000 2.081 230 E HA 0.094 4.444 4.350 0.000 0.000 0.281 230 E C -0.627 176.008 176.600 0.058 0.000 0.986 230 E CA -0.344 56.087 56.400 0.052 0.000 0.796 230 E CB 1.300 31.026 29.700 0.044 0.000 1.085 230 E HN 0.636 nan 8.360 nan 0.000 0.398 231 L N 4.196 125.451 121.223 0.053 0.000 2.388 231 L HA 0.516 4.856 4.340 0.000 0.000 0.209 231 L C 0.729 177.619 176.870 0.033 0.000 1.061 231 L CA 1.506 56.382 54.840 0.061 0.000 0.834 231 L CB -0.311 41.796 42.059 0.080 0.000 1.029 231 L HN 0.783 nan 8.230 nan 0.000 0.473 232 G N -0.590 108.218 108.800 0.013 0.000 2.758 232 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 232 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 232 G C -0.701 174.165 174.900 -0.057 0.000 1.389 232 G CA -0.522 44.565 45.100 -0.021 0.000 0.845 232 G HN 0.206 nan 8.290 nan 0.000 0.572 233 V N 2.675 122.486 119.914 -0.172 0.000 2.389 233 V HA 0.275 4.395 4.120 0.000 0.000 0.264 233 V C 1.592 177.560 176.094 -0.210 0.000 1.049 233 V CA -0.345 61.776 62.300 -0.298 0.000 0.932 233 V CB 1.221 32.464 31.823 -0.966 0.000 1.011 233 V HN 0.724 nan 8.190 nan 0.000 0.475 234 R N 3.019 123.409 120.500 -0.182 0.000 2.276 234 R HA 0.056 4.396 4.340 0.000 0.000 0.203 234 R C 0.394 176.404 176.300 -0.482 0.000 1.017 234 R CA 0.561 56.448 56.100 -0.354 0.000 1.010 234 R CB -0.428 29.553 30.300 -0.532 0.000 0.900 234 R HN 0.691 nan 8.270 nan 0.000 0.469 235 V N -2.605 117.042 119.914 -0.446 0.000 2.864 235 V HA 0.665 4.785 4.120 0.000 0.000 0.314 235 V C -0.204 175.929 176.094 0.065 0.000 1.073 235 V CA -0.928 61.215 62.300 -0.261 0.000 0.956 235 V CB 2.576 34.206 31.823 -0.321 0.000 1.023 235 V HN -0.085 nan 8.190 nan 0.000 0.435 236 S N 2.198 117.977 115.700 0.132 0.000 2.472 236 S HA 0.905 5.375 4.470 0.000 0.000 0.303 236 S C -0.159 174.575 174.600 0.223 0.000 1.099 236 S CA -0.060 58.271 58.200 0.218 0.000 1.077 236 S CB 1.400 64.739 63.200 0.232 0.000 1.031 236 S HN 1.666 nan 8.310 nan 0.000 0.487 237 A N 3.501 126.467 122.820 0.243 0.000 2.476 237 A HA 0.724 5.044 4.320 0.000 0.000 0.280 237 A C -1.275 176.420 177.584 0.184 0.000 1.081 237 A CA -0.528 51.667 52.037 0.263 0.000 0.753 237 A CB 0.441 19.691 19.000 0.416 0.000 1.248 237 A HN 0.698 nan 8.150 nan 0.000 0.424 238 L N 1.170 122.431 121.223 0.063 0.000 2.370 238 L HA 0.748 5.088 4.340 0.000 0.000 0.266 238 L C -0.147 176.695 176.870 -0.047 0.000 1.002 238 L CA -0.527 54.284 54.840 -0.048 0.000 0.818 238 L CB 2.788 44.708 42.059 -0.230 0.000 1.325 238 L HN 0.585 nan 8.230 nan 0.000 0.418 239 T N 2.843 117.374 114.554 -0.038 0.000 2.815 239 T HA 0.607 4.957 4.350 0.000 0.000 0.289 239 T C -0.656 174.011 174.700 -0.056 0.000 1.000 239 T CA -0.431 61.656 62.100 -0.020 0.000 0.958 239 T CB 1.034 69.861 68.868 -0.069 0.000 0.944 239 T HN 0.080 nan 8.240 nan 0.000 0.442 240 L N 3.783 124.951 121.223 -0.091 0.000 2.272 240 L HA 0.391 4.731 4.340 0.000 0.000 0.289 240 L C 0.531 177.352 176.870 -0.082 0.000 1.032 240 L CA -0.236 54.510 54.840 -0.157 0.000 0.810 240 L CB 0.896 42.834 42.059 -0.202 0.000 1.205 240 L HN 0.513 nan 8.230 nan 0.000 0.422 241 E N 5.415 125.492 120.200 -0.204 0.000 2.103 241 E HA 0.249 4.599 4.350 0.000 0.000 0.254 241 E C -0.496 176.003 176.600 -0.168 0.000 0.940 241 E CA -0.163 56.088 56.400 -0.248 0.000 0.771 241 E CB 1.090 30.309 29.700 -0.802 0.000 1.153 241 E HN 0.500 nan 8.360 nan 0.000 0.428 242 L N 2.496 123.692 121.223 -0.046 0.000 2.536 242 L HA 0.260 4.600 4.340 0.000 0.000 0.242 242 L C 1.062 177.943 176.870 0.019 0.000 1.280 242 L CA -0.250 54.584 54.840 -0.010 0.000 1.221 242 L CB -0.607 41.450 42.059 -0.005 0.000 1.449 242 L HN 0.685 nan 8.230 nan 0.000 0.405 243 G N 0.711 109.537 108.800 0.042 0.000 2.499 243 G HA2 -0.227 3.733 3.960 0.000 0.000 0.232 243 G HA3 -0.227 3.733 3.960 0.000 0.000 0.232 243 G C -0.275 174.648 174.900 0.037 0.000 1.251 243 G CA -0.427 44.700 45.100 0.045 0.000 0.917 243 G HN 0.360 nan 8.290 nan 0.000 0.580 244 S N 0.926 116.632 115.700 0.009 0.000 2.646 244 S HA 0.567 5.037 4.470 0.000 0.000 0.276 244 S C 0.708 175.309 174.600 0.001 0.000 1.222 244 S CA 0.240 58.433 58.200 -0.011 0.000 1.014 244 S CB 1.414 64.587 63.200 -0.045 0.000 0.991 244 S HN 0.885 nan 8.310 nan 0.000 0.533 245 Q N 0.792 120.594 119.800 0.003 0.000 2.308 245 Q HA 0.345 4.685 4.340 0.000 0.000 0.207 245 Q C -0.761 175.236 176.000 -0.005 0.000 1.035 245 Q CA -0.570 55.237 55.803 0.007 0.000 1.008 245 Q CB 0.159 28.913 28.738 0.026 0.000 1.168 245 Q HN 0.495 nan 8.270 nan 0.000 0.565 246 E N -0.257 119.928 120.200 -0.025 0.000 2.440 246 E HA -0.246 4.104 4.350 0.000 0.000 0.246 246 E C -0.761 175.826 176.600 -0.021 0.000 1.165 246 E CA 1.595 57.976 56.400 -0.032 0.000 0.726 246 E CB -1.457 28.245 29.700 0.004 0.000 1.271 246 E HN 0.768 nan 8.360 nan 0.000 0.397 247 R N -0.957 119.530 120.500 -0.023 0.000 2.629 247 R HA 0.599 4.939 4.340 0.000 0.000 0.266 247 R C -1.111 175.176 176.300 -0.022 0.000 1.051 247 R CA -0.917 55.172 56.100 -0.019 0.000 0.895 247 R CB 1.241 31.533 30.300 -0.012 0.000 1.246 247 R HN -0.059 nan 8.270 nan 0.000 0.459 248 I N 2.412 122.968 120.570 -0.023 0.000 2.418 248 I HA 0.336 4.506 4.170 0.000 0.000 0.287 248 I C -1.070 175.037 176.117 -0.017 0.000 1.008 248 I CA -0.413 60.872 61.300 -0.026 0.000 1.104 248 I CB 1.680 39.654 38.000 -0.043 0.000 1.264 248 I HN 0.733 nan 8.210 nan 0.000 0.438 249 D N 7.039 127.435 120.400 -0.006 0.000 2.358 249 D HA 0.285 4.925 4.640 0.000 0.000 0.253 249 D C 0.709 177.017 176.300 0.014 0.000 1.288 249 D CA -0.362 53.639 54.000 0.003 0.000 0.950 249 D CB 1.166 41.970 40.800 0.007 0.000 1.197 249 D HN 0.358 nan 8.370 nan 0.000 0.550 250 L N 1.973 123.205 121.223 0.015 0.000 2.083 250 L HA -0.118 4.222 4.340 0.000 0.000 0.209 250 L C 1.562 178.464 176.870 0.053 0.000 1.083 250 L CA 0.949 55.814 54.840 0.042 0.000 0.752 250 L CB 0.014 42.098 42.059 0.042 0.000 0.899 250 L HN 0.333 nan 8.230 nan 0.000 0.433 251 D N -0.274 120.149 120.400 0.038 0.000 2.117 251 D HA -0.206 4.434 4.640 0.000 0.000 0.197 251 D C 1.781 178.102 176.300 0.035 0.000 0.987 251 D CA 1.298 55.320 54.000 0.037 0.000 0.829 251 D CB -0.171 40.645 40.800 0.028 0.000 0.961 251 D HN 0.247 nan 8.370 nan 0.000 0.460 252 D N 0.138 120.556 120.400 0.030 0.000 2.144 252 D HA -0.054 4.586 4.640 0.000 0.000 0.199 252 D C 1.914 178.235 176.300 0.034 0.000 0.984 252 D CA 1.318 55.335 54.000 0.029 0.000 0.834 252 D CB -0.100 40.714 40.800 0.024 0.000 0.955 252 D HN 0.087 nan 8.370 nan 0.000 0.465 253 A N 0.018 122.861 122.820 0.038 0.000 1.972 253 A HA -0.121 4.199 4.320 0.000 0.000 0.219 253 A C 2.096 179.710 177.584 0.049 0.000 1.169 253 A CA 1.076 53.140 52.037 0.045 0.000 0.635 253 A CB -0.726 18.309 19.000 0.058 0.000 0.810 253 A HN 0.363 nan 8.150 nan 0.000 0.446 254 L N 0.334 121.587 121.223 0.051 0.000 2.046 254 L HA -0.164 4.176 4.340 0.000 0.000 0.208 254 L C 2.210 179.102 176.870 0.036 0.000 1.077 254 L CA 2.370 57.237 54.840 0.044 0.000 0.747 254 L CB -0.728 41.359 42.059 0.046 0.000 0.896 254 L HN 0.533 nan 8.230 nan 0.000 0.432 255 E N -0.632 119.589 120.200 0.035 0.000 2.077 255 E HA -0.227 4.123 4.350 0.000 0.000 0.193 255 E C 1.745 178.369 176.600 0.040 0.000 0.989 255 E CA 1.352 57.772 56.400 0.033 0.000 0.800 255 E CB -0.227 29.491 29.700 0.030 0.000 0.746 255 E HN 0.587 nan 8.360 nan 0.000 0.452 256 D N 0.782 121.208 120.400 0.043 0.000 2.097 256 D HA -0.125 4.515 4.640 0.000 0.000 0.195 256 D C 1.956 178.294 176.300 0.063 0.000 0.989 256 D CA 1.303 55.336 54.000 0.056 0.000 0.827 256 D CB -0.313 40.513 40.800 0.043 0.000 0.966 256 D HN 0.152 nan 8.370 nan 0.000 0.456 257 A N 1.077 123.921 122.820 0.040 0.000 1.933 257 A HA -0.215 4.105 4.320 0.000 0.000 0.218 257 A C 2.065 179.651 177.584 0.003 0.000 1.175 257 A CA 1.496 53.544 52.037 0.018 0.000 0.628 257 A CB -0.536 18.465 19.000 0.001 0.000 0.814 257 A HN 0.213 nan 8.150 nan 0.000 0.444 258 E N -0.740 119.468 120.200 0.014 0.000 2.106 258 E HA -0.086 4.264 4.350 0.000 0.000 0.192 258 E C 2.134 178.732 176.600 -0.003 0.000 0.984 258 E CA 0.694 57.095 56.400 0.002 0.000 0.806 258 E CB -0.320 29.391 29.700 0.019 0.000 0.750 258 E HN 0.619 nan 8.360 nan 0.000 0.458 259 G N 1.312 110.132 108.800 0.033 0.000 2.402 259 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 259 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 259 G C 1.597 176.497 174.900 -0.001 0.000 1.162 259 G CA 0.485 45.613 45.100 0.046 0.000 0.777 259 G HN 0.112 nan 8.290 nan 0.000 0.539 260 I N 0.425 121.051 120.570 0.094 0.000 2.208 260 I HA -0.178 3.992 4.170 0.000 0.000 0.245 260 I C 2.741 178.824 176.117 -0.055 0.000 1.097 260 I CA 0.747 62.103 61.300 0.094 0.000 1.363 260 I CB -0.233 37.856 38.000 0.147 0.000 1.051 260 I HN 0.133 nan 8.210 nan 0.000 0.413 261 L N 0.471 121.632 121.223 -0.103 0.000 2.042 261 L HA -0.247 4.093 4.340 0.000 0.000 0.210 261 L C 2.872 179.630 176.870 -0.186 0.000 1.076 261 L CA 1.396 56.110 54.840 -0.211 0.000 0.749 261 L CB -0.713 41.169 42.059 -0.295 0.000 0.893 261 L HN 0.274 nan 8.230 nan 0.000 0.432 262 A N -0.733 122.012 122.820 -0.125 0.000 1.908 262 A HA -0.307 4.013 4.320 0.000 0.000 0.218 262 A C 2.175 179.686 177.584 -0.121 0.000 1.181 262 A CA 1.808 53.796 52.037 -0.082 0.000 0.627 262 A CB -0.921 18.067 19.000 -0.021 0.000 0.818 262 A HN 0.484 nan 8.150 nan 0.000 0.445 263 Y N 0.518 120.599 120.300 -0.366 0.000 2.181 263 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 263 Y C 1.997 177.724 175.900 -0.288 0.000 1.146 263 Y CA 1.739 59.572 58.100 -0.444 0.000 1.164 263 Y CB -0.272 37.685 38.460 -0.838 0.000 0.982 263 Y HN 0.221 nan 8.280 nan 0.000 0.515 264 L N -1.120 119.954 121.223 -0.248 0.000 2.046 264 L HA -0.229 4.111 4.340 0.000 0.000 0.208 264 L C 2.774 179.460 176.870 -0.307 0.000 1.077 264 L CA 1.633 56.306 54.840 -0.278 0.000 0.747 264 L CB -0.946 40.996 42.059 -0.194 0.000 0.896 264 L HN 0.236 nan 8.230 nan 0.000 0.432 265 S N -0.554 114.993 115.700 -0.255 0.000 2.348 265 S HA -0.295 4.175 4.470 0.000 0.000 0.221 265 S C 2.103 176.561 174.600 -0.236 0.000 1.033 265 S CA 1.718 59.799 58.200 -0.198 0.000 1.010 265 S CB -0.330 62.795 63.200 -0.126 0.000 0.891 265 S HN 0.641 nan 8.310 nan 0.000 0.442 266 H N 1.490 120.308 119.070 -0.420 0.000 2.357 266 H HA -0.005 4.551 4.556 0.000 0.000 0.296 266 H C 1.849 176.859 175.328 -0.531 0.000 1.108 266 H CA 2.148 57.853 56.048 -0.571 0.000 1.273 266 H CB -0.133 28.957 29.762 -1.121 0.000 1.367 266 H HN 0.203 nan 8.280 nan 0.000 0.498 267 R N -0.062 119.925 120.500 -0.856 0.000 2.310 267 R HA 0.168 4.508 4.340 0.000 0.000 0.202 267 R C 1.123 177.167 176.300 -0.428 0.000 0.933 267 R CA 0.645 56.294 56.100 -0.751 0.000 1.054 267 R CB -0.476 29.376 30.300 -0.748 0.000 0.985 267 R HN 0.628 nan 8.270 nan 0.000 0.489 268 G N 0.686 109.284 108.800 -0.337 0.000 2.176 268 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 268 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 268 G C 0.785 175.585 174.900 -0.167 0.000 1.024 268 G CA 0.421 45.394 45.100 -0.212 0.000 0.755 268 G HN 0.233 nan 8.290 nan 0.000 0.507 269 V N 0.230 120.033 119.914 -0.186 0.000 2.591 269 V HA 0.180 4.300 4.120 0.000 0.000 0.249 269 V C 1.659 177.688 176.094 -0.108 0.000 1.053 269 V CA 1.894 64.114 62.300 -0.134 0.000 1.068 269 V CB -0.289 31.450 31.823 -0.141 0.000 0.689 269 V HN 0.760 nan 8.190 nan 0.000 0.462 270 I N -2.923 117.572 120.570 -0.125 0.000 2.603 270 I HA 0.756 4.926 4.170 0.000 0.000 0.300 270 I C 1.056 177.146 176.117 -0.045 0.000 1.017 270 I CA -0.574 60.678 61.300 -0.079 0.000 1.098 270 I CB 1.934 39.854 38.000 -0.134 0.000 1.279 270 I HN -0.077 nan 8.210 nan 0.000 0.437 271 A N 3.360 126.184 122.820 0.006 0.000 1.968 271 A HA 0.041 4.362 4.320 0.000 0.000 0.217 271 A C 0.950 178.548 177.584 0.022 0.000 1.169 271 A CA 0.811 52.851 52.037 0.006 0.000 0.638 271 A CB -0.632 18.377 19.000 0.015 0.000 0.812 271 A HN 0.863 nan 8.150 nan 0.000 0.446 272 E N 0.582 120.832 120.200 0.082 0.000 2.404 272 E HA 0.299 4.649 4.350 0.000 0.000 0.261 272 E C -0.242 176.395 176.600 0.062 0.000 1.074 272 E CA 0.313 56.777 56.400 0.107 0.000 0.917 272 E CB 0.350 30.210 29.700 0.267 0.000 0.965 272 E HN 0.197 nan 8.360 nan 0.000 0.433 273 T N 1.812 116.396 114.554 0.050 0.000 2.761 273 T HA 0.354 4.704 4.350 0.000 0.000 0.296 273 T C -0.605 174.124 174.700 0.049 0.000 0.934 273 T CA -0.488 61.630 62.100 0.029 0.000 1.091 273 T CB 0.230 69.110 68.868 0.020 0.000 0.896 273 T HN 0.105 nan 8.240 nan 0.000 0.515 274 V N 5.838 125.765 119.914 0.021 0.000 2.419 274 V HA 0.358 4.478 4.120 0.000 0.000 0.287 274 V C -0.080 176.022 176.094 0.013 0.000 1.017 274 V CA -0.831 61.480 62.300 0.019 0.000 0.844 274 V CB 1.225 33.033 31.823 -0.024 0.000 1.011 274 V HN 0.763 nan 8.190 nan 0.000 0.429 275 L N 5.678 126.914 121.223 0.022 0.000 2.399 275 L HA 0.517 4.857 4.340 0.000 0.000 0.266 275 L C -2.026 174.854 176.870 0.015 0.000 1.114 275 L CA -1.695 53.161 54.840 0.028 0.000 0.804 275 L CB 1.373 43.440 42.059 0.014 0.000 1.146 275 L HN 0.392 nan 8.230 nan 0.000 0.451 276 P HA 0.025 nan 4.420 nan 0.000 0.268 276 P C -0.760 176.512 177.300 -0.045 0.000 1.205 276 P CA -0.333 62.748 63.100 -0.032 0.000 0.771 276 P CB 0.434 32.060 31.700 -0.123 0.000 0.858 277 K N 4.175 124.552 120.400 -0.039 0.000 2.451 277 K HA 0.112 4.432 4.320 0.000 0.000 0.280 277 K C -1.757 174.808 176.600 -0.059 0.000 1.020 277 K CA -1.135 55.131 56.287 -0.036 0.000 1.008 277 K CB -0.196 32.290 32.500 -0.023 0.000 0.917 277 K HN 0.352 nan 8.250 nan 0.000 0.478 281 R N 2.043 122.156 120.500 -0.646 0.000 2.476 281 R HA 0.488 4.828 4.340 0.000 0.000 0.305 281 R C -0.972 174.878 176.300 -0.749 0.000 0.965 281 R CA -0.710 55.053 56.100 -0.563 0.000 0.867 281 R CB 1.295 31.383 30.300 -0.353 0.000 1.176 281 R HN 0.447 nan 8.270 nan 0.000 0.447 282 Y N -0.069 120.001 120.300 -0.384 0.000 2.549 282 Y HA 0.774 5.324 4.550 0.000 0.000 0.339 282 Y C 0.869 176.536 175.900 -0.387 0.000 1.053 282 Y CA -0.740 57.153 58.100 -0.345 0.000 1.105 282 Y CB 2.496 40.812 38.460 -0.241 0.000 1.258 282 Y HN 0.684 nan 8.280 nan 0.000 0.478 283 G N -0.625 107.899 108.800 -0.461 0.000 2.708 283 G HA2 0.617 4.577 3.960 0.000 0.000 0.289 283 G HA3 0.617 4.577 3.960 0.000 0.000 0.289 283 G C -1.708 172.689 174.900 -0.838 0.000 1.416 283 G CA -0.757 43.952 45.100 -0.651 0.000 0.829 283 G HN 1.110 nan 8.290 nan 0.000 0.480 284 C N -1.294 117.680 119.300 -0.544 0.000 3.239 284 C HA 0.810 5.270 4.460 0.000 0.000 0.329 284 C C -0.975 173.907 174.990 -0.179 0.000 1.252 284 C CA -1.436 57.439 59.018 -0.239 0.000 1.323 284 C CB 0.216 27.931 27.740 -0.042 0.000 1.663 284 C HN 0.564 nan 8.230 nan 0.000 0.487 285 F N 1.908 121.973 119.950 0.192 0.000 2.418 285 F HA 0.383 4.910 4.527 0.000 0.000 0.341 285 F C 1.436 177.315 175.800 0.133 0.000 1.120 285 F CA -0.250 57.849 58.000 0.165 0.000 1.232 285 F CB 0.724 39.834 39.000 0.185 0.000 1.175 285 F HN 0.759 nan 8.300 nan 0.000 0.569 286 L N 3.401 124.809 121.223 0.308 0.000 2.081 286 L HA -0.239 4.101 4.340 0.000 0.000 0.212 286 L C 2.430 179.472 176.870 0.285 0.000 1.080 286 L CA 1.911 56.911 54.840 0.267 0.000 0.754 286 L CB -0.821 41.409 42.059 0.286 0.000 0.893 286 L HN 0.721 nan 8.230 nan 0.000 0.433 287 K N -1.679 118.880 120.400 0.264 0.000 2.281 287 K HA -0.152 4.168 4.320 0.000 0.000 0.203 287 K C 1.063 177.782 176.600 0.199 0.000 1.046 287 K CA 1.632 58.041 56.287 0.204 0.000 0.938 287 K CB -0.497 32.097 32.500 0.157 0.000 0.737 287 K HN 0.350 nan 8.250 nan 0.000 0.458 288 N N 0.005 118.846 118.700 0.235 0.000 2.322 288 N HA -0.044 4.696 4.740 0.000 0.000 0.194 288 N C -0.939 174.710 175.510 0.232 0.000 1.126 288 N CA 0.066 53.241 53.050 0.208 0.000 0.845 288 N CB 0.102 38.721 38.487 0.221 0.000 0.976 288 N HN 0.208 nan 8.380 nan 0.000 0.475 289 Y N 2.801 123.152 120.300 0.084 0.000 2.477 289 Y HA 0.269 4.819 4.550 0.000 0.000 0.349 289 Y C -0.187 175.753 175.900 0.066 0.000 0.977 289 Y CA -0.971 57.161 58.100 0.053 0.000 1.214 289 Y CB 0.121 38.616 38.460 0.058 0.000 1.124 289 Y HN -0.207 nan 8.280 nan 0.000 0.521 290 R N 4.749 125.224 120.500 -0.042 0.000 2.604 290 R HA 0.420 4.760 4.340 0.000 0.000 0.287 290 R C -0.739 175.458 176.300 -0.171 0.000 0.970 290 R CA -0.996 55.064 56.100 -0.067 0.000 0.946 290 R CB 1.299 31.614 30.300 0.025 0.000 1.127 290 R HN 0.622 nan 8.270 nan 0.000 0.473 291 K N 1.804 122.129 120.400 -0.125 0.000 2.240 291 K HA 0.301 4.621 4.320 0.000 0.000 0.271 291 K C -0.802 175.674 176.600 -0.206 0.000 1.018 291 K CA -0.381 55.775 56.287 -0.218 0.000 0.874 291 K CB 1.135 33.493 32.500 -0.238 0.000 1.098 291 K HN 0.338 nan 8.250 nan 0.000 0.458 292 F N 3.894 123.669 119.950 -0.292 0.000 2.361 292 F HA 0.253 4.780 4.527 0.000 0.000 0.364 292 F C -0.372 175.266 175.800 -0.269 0.000 1.120 292 F CA -0.510 57.382 58.000 -0.181 0.000 1.102 292 F CB 0.414 39.379 39.000 -0.058 0.000 1.183 292 F HN 0.552 nan 8.300 nan 0.000 0.476 293 H N 3.801 122.543 119.070 -0.547 0.000 2.472 293 H HA 0.600 5.156 4.556 0.000 0.000 0.335 293 H C -0.076 174.946 175.328 -0.509 0.000 1.136 293 H CA -0.581 55.234 56.048 -0.389 0.000 1.264 293 H CB 1.291 30.893 29.762 -0.265 0.000 1.486 293 H HN 0.755 nan 8.280 nan 0.000 0.517 294 A N 3.846 126.578 122.820 -0.146 0.000 2.522 294 A HA 0.078 4.398 4.320 0.000 0.000 0.256 294 A C -1.364 176.147 177.584 -0.123 0.000 1.086 294 A CA -0.917 51.055 52.037 -0.109 0.000 0.763 294 A CB -0.067 18.898 19.000 -0.058 0.000 1.024 294 A HN 0.680 nan 8.150 nan 0.000 0.502 295 P HA 0.019 nan 4.420 nan 0.000 0.231 295 P C 0.185 177.459 177.300 -0.043 0.000 1.168 295 P CA 1.064 64.113 63.100 -0.085 0.000 0.779 295 P CB 0.296 31.964 31.700 -0.053 0.000 0.844 296 K N -0.744 119.641 120.400 -0.025 0.000 2.532 296 K HA 0.596 4.916 4.320 0.000 0.000 0.265 296 K C -1.085 175.514 176.600 -0.002 0.000 0.948 296 K CA -0.860 55.421 56.287 -0.010 0.000 0.842 296 K CB 2.548 35.047 32.500 -0.002 0.000 1.392 296 K HN -0.175 nan 8.250 nan 0.000 0.436 297 A N 0.979 123.806 122.820 0.013 0.000 2.296 297 A HA 0.790 5.110 4.320 0.000 0.000 0.264 297 A C 0.278 177.873 177.584 0.018 0.000 1.097 297 A CA 0.653 52.708 52.037 0.030 0.000 0.811 297 A CB 0.312 19.357 19.000 0.075 0.000 1.072 297 A HN 0.963 nan 8.150 nan 0.000 0.495 301 E N 3.278 123.301 120.200 -0.294 0.000 2.113 301 E HA 0.518 4.868 4.350 0.000 0.000 0.273 301 E C -1.550 174.883 176.600 -0.279 0.000 0.924 301 E CA -0.626 55.657 56.400 -0.194 0.000 0.764 301 E CB 0.934 30.587 29.700 -0.079 0.000 1.104 301 E HN 0.617 nan 8.360 nan 0.000 0.406 302 Y N 4.461 124.718 120.300 -0.072 0.000 2.393 302 Y HA 0.088 4.638 4.550 0.000 0.000 0.338 302 Y C 0.910 176.806 175.900 -0.006 0.000 1.029 302 Y CA -0.025 58.014 58.100 -0.102 0.000 1.239 302 Y CB 0.768 38.958 38.460 -0.451 0.000 1.170 302 Y HN 0.587 nan 8.280 nan 0.000 0.515 303 L N 2.136 123.433 121.223 0.124 0.000 2.388 303 L HA 0.273 4.613 4.340 0.000 0.000 0.209 303 L C 1.461 178.387 176.870 0.094 0.000 1.061 303 L CA 0.138 55.023 54.840 0.074 0.000 0.834 303 L CB -0.096 41.964 42.059 0.002 0.000 1.029 303 L HN 0.734 nan 8.230 nan 0.000 0.473 304 G N 2.078 110.945 108.800 0.113 0.000 2.356 304 G HA2 0.155 4.115 3.960 0.000 0.000 0.273 304 G HA3 0.155 4.115 3.960 0.000 0.000 0.273 304 G C -0.240 174.802 174.900 0.236 0.000 1.213 304 G CA -0.267 44.868 45.100 0.058 0.000 0.955 304 G HN -0.096 nan 8.290 nan 0.000 0.454 305 K N 2.051 122.534 120.400 0.139 0.000 2.205 305 K HA 0.204 4.524 4.320 0.000 0.000 0.279 305 K C 0.671 177.349 176.600 0.131 0.000 1.027 305 K CA -0.533 55.845 56.287 0.152 0.000 0.932 305 K CB 1.947 34.502 32.500 0.091 0.000 1.032 305 K HN 0.447 nan 8.250 nan 0.000 0.466 306 V N -0.600 119.394 119.914 0.134 0.000 2.673 306 V HA 0.301 4.421 4.120 0.000 0.000 0.303 306 V C 1.180 177.288 176.094 0.023 0.000 1.046 306 V CA 0.591 62.931 62.300 0.067 0.000 1.126 306 V CB 0.004 31.834 31.823 0.011 0.000 0.934 306 V HN 1.015 nan 8.190 nan 0.000 0.487 307 G N 2.544 111.311 108.800 -0.056 0.000 2.179 307 G HA2 -0.175 3.785 3.960 0.000 0.000 0.260 307 G HA3 -0.175 3.785 3.960 0.000 0.000 0.260 307 G C 0.013 174.924 174.900 0.019 0.000 0.977 307 G CA -0.002 45.076 45.100 -0.037 0.000 0.641 307 G HN 1.532 nan 8.290 nan 0.000 0.533 308 V N 1.987 121.885 119.914 -0.027 0.000 2.357 308 V HA 0.455 4.575 4.120 0.000 0.000 0.284 308 V C -1.129 174.922 176.094 -0.071 0.000 1.018 308 V CA -1.506 60.788 62.300 -0.010 0.000 0.841 308 V CB 1.542 33.371 31.823 0.010 0.000 0.991 308 V HN 0.115 nan 8.190 nan 0.000 0.437 312 A N 1.218 123.995 122.820 -0.073 0.000 2.548 312 A HA 0.311 4.631 4.320 0.000 0.000 0.247 312 A C 1.032 178.575 177.584 -0.067 0.000 1.067 312 A CA 1.785 53.779 52.037 -0.072 0.000 0.757 312 A CB -0.758 18.216 19.000 -0.044 0.000 0.996 312 A HN 1.364 nan 8.150 nan 0.000 0.504 313 T N -0.714 113.791 114.554 -0.081 0.000 5.686 313 T HA -0.156 4.194 4.350 0.000 0.000 0.270 313 T C -0.178 174.473 174.700 -0.081 0.000 2.206 313 T CA 0.962 63.021 62.100 -0.069 0.000 3.748 313 T CB -2.455 66.386 68.868 -0.044 0.000 0.697 313 T HN 0.735 nan 8.240 nan 0.000 1.085 314 D N 3.388 123.727 120.400 -0.102 0.000 2.304 314 D HA 0.509 5.149 4.640 0.000 0.000 0.247 314 D C -2.475 173.749 176.300 -0.126 0.000 1.089 314 D CA -1.646 52.294 54.000 -0.100 0.000 0.910 314 D CB 1.039 41.779 40.800 -0.099 0.000 1.199 314 D HN 0.272 nan 8.370 nan 0.000 0.426 315 P HA 0.042 nan 4.420 nan 0.000 0.271 315 P C 0.288 177.498 177.300 -0.149 0.000 1.226 315 P CA -0.261 62.774 63.100 -0.109 0.000 0.765 315 P CB 0.761 32.419 31.700 -0.070 0.000 0.835 316 L N 5.886 126.983 121.223 -0.210 0.000 2.200 316 L HA 0.164 4.504 4.340 0.000 0.000 0.200 316 L C 0.477 177.269 176.870 -0.129 0.000 1.072 316 L CA 1.398 56.058 54.840 -0.300 0.000 0.787 316 L CB 0.224 41.961 42.059 -0.536 0.000 0.957 316 L HN 0.280 nan 8.230 nan 0.000 0.459 317 V N -3.199 116.656 119.914 -0.098 0.000 3.147 317 V HA 0.581 4.701 4.120 0.000 0.000 0.306 317 V C -1.238 174.806 176.094 -0.082 0.000 1.209 317 V CA -1.090 61.157 62.300 -0.088 0.000 1.023 317 V CB 1.674 33.415 31.823 -0.137 0.000 1.059 317 V HN 0.126 nan 8.190 nan 0.000 0.435 318 N N 2.116 120.759 118.700 -0.094 0.000 2.438 318 N HA 0.628 5.368 4.740 0.000 0.000 0.282 318 N C -1.080 174.381 175.510 -0.082 0.000 1.037 318 N CA -0.170 52.839 53.050 -0.068 0.000 0.942 318 N CB 1.789 40.245 38.487 -0.052 0.000 1.136 318 N HN 0.821 nan 8.380 nan 0.000 0.481 319 L N 3.248 124.441 121.223 -0.050 0.000 2.294 319 L HA 0.460 4.800 4.340 0.000 0.000 0.283 319 L C -1.248 175.610 176.870 -0.021 0.000 1.015 319 L CA -0.728 54.088 54.840 -0.041 0.000 0.831 319 L CB 0.930 42.977 42.059 -0.019 0.000 1.217 319 L HN 0.369 nan 8.230 nan 0.000 0.420 320 L N 5.787 126.999 121.223 -0.019 0.000 2.282 320 L HA 0.645 4.985 4.340 0.000 0.000 0.288 320 L C -0.777 176.102 176.870 0.016 0.000 1.033 320 L CA -0.042 54.800 54.840 0.004 0.000 0.807 320 L CB 0.753 42.813 42.059 0.003 0.000 1.209 320 L HN 0.503 nan 8.230 nan 0.000 0.423 321 R N 6.388 126.909 120.500 0.034 0.000 2.487 321 R HA 0.272 4.612 4.340 0.000 0.000 0.288 321 R C 0.263 176.606 176.300 0.072 0.000 1.394 321 R CA -0.555 55.569 56.100 0.041 0.000 1.155 321 R CB 1.158 31.476 30.300 0.030 0.000 1.156 321 R HN 0.686 nan 8.270 nan 0.000 0.553 322 L N 1.627 122.890 121.223 0.066 0.000 2.275 322 L HA -0.137 4.203 4.340 0.000 0.000 0.215 322 L C 1.628 178.549 176.870 0.085 0.000 1.119 322 L CA 1.710 56.598 54.840 0.081 0.000 0.790 322 L CB -0.361 41.715 42.059 0.027 0.000 0.919 322 L HN 0.539 nan 8.230 nan 0.000 0.443 323 D N -0.494 119.942 120.400 0.061 0.000 2.348 323 D HA -0.179 4.461 4.640 0.000 0.000 0.216 323 D C 1.510 177.848 176.300 0.064 0.000 0.970 323 D CA 0.670 54.702 54.000 0.054 0.000 0.889 323 D CB 0.003 40.824 40.800 0.036 0.000 0.912 323 D HN 0.347 nan 8.370 nan 0.000 0.524 324 L N -0.200 121.068 121.223 0.074 0.000 3.014 324 L HA 0.213 4.553 4.340 0.000 0.000 0.263 324 L C -0.012 176.898 176.870 0.066 0.000 1.207 324 L CA -0.881 53.991 54.840 0.054 0.000 1.017 324 L CB -0.252 41.823 42.059 0.026 0.000 1.360 324 L HN -0.106 nan 8.230 nan 0.000 0.560 325 Y N 1.482 121.780 120.300 -0.002 0.000 2.712 325 Y HA 0.254 4.804 4.550 0.000 0.000 0.333 325 Y C 1.425 177.323 175.900 -0.003 0.000 1.225 325 Y CA 1.357 59.455 58.100 -0.003 0.000 1.499 325 Y CB 0.780 39.239 38.460 -0.002 0.000 1.288 325 Y HN 0.300 nan 8.280 nan 0.000 0.575 326 G N 2.840 111.227 108.800 -0.689 0.000 2.175 326 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 326 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 326 G C 0.088 174.860 174.900 -0.213 0.000 0.982 326 G CA 0.318 45.174 45.100 -0.406 0.000 0.641 326 G HN 1.185 nan 8.290 nan 0.000 0.527 327 T N -3.410 111.038 114.554 -0.176 0.000 2.926 327 T HA 0.663 5.013 4.350 0.000 0.000 0.289 327 T C 1.522 176.159 174.700 -0.104 0.000 1.054 327 T CA 0.334 62.372 62.100 -0.104 0.000 1.015 327 T CB 1.566 70.400 68.868 -0.056 0.000 1.167 327 T HN 1.180 nan 8.240 nan 0.000 0.526 328 G N -0.177 108.580 108.800 -0.071 0.000 2.509 328 G HA2 -0.040 3.920 3.960 0.000 0.000 0.218 328 G HA3 -0.040 3.920 3.960 0.000 0.000 0.218 328 G C 1.071 175.944 174.900 -0.046 0.000 1.124 328 G CA 0.169 45.234 45.100 -0.059 0.000 0.776 328 G HN 0.734 nan 8.290 nan 0.000 0.547 329 E N 0.739 120.916 120.200 -0.038 0.000 2.489 329 E HA -0.021 4.329 4.350 0.000 0.000 0.193 329 E C 2.332 178.923 176.600 -0.015 0.000 1.057 329 E CA 0.423 56.810 56.400 -0.022 0.000 0.866 329 E CB 0.006 29.698 29.700 -0.013 0.000 0.916 329 E HN 0.872 nan 8.360 nan 0.000 0.500 330 E N 0.304 120.486 120.200 -0.030 0.000 2.160 330 E HA -0.160 4.190 4.350 0.000 0.000 0.195 330 E C 0.470 177.079 176.600 0.015 0.000 0.991 330 E CA 0.728 57.127 56.400 -0.002 0.000 0.810 330 E CB 0.053 29.719 29.700 -0.057 0.000 0.742 330 E HN -0.009 nan 8.360 nan 0.000 0.466 331 L N 1.077 122.297 121.223 -0.006 0.000 2.580 331 L HA 0.313 4.653 4.340 0.000 0.000 0.266 331 L C -1.122 175.740 176.870 -0.013 0.000 0.955 331 L CA -0.141 54.697 54.840 -0.003 0.000 0.886 331 L CB 2.228 44.289 42.059 0.005 0.000 1.263 331 L HN 0.220 nan 8.230 nan 0.000 0.406 332 T N 1.279 115.826 114.554 -0.012 0.000 2.916 332 T HA 0.854 5.204 4.350 0.000 0.000 0.292 332 T C -0.816 173.874 174.700 -0.017 0.000 1.064 332 T CA -0.853 61.239 62.100 -0.013 0.000 1.011 332 T CB 1.854 70.718 68.868 -0.008 0.000 1.152 332 T HN 0.311 nan 8.240 nan 0.000 0.510 333 V N 2.191 122.094 119.914 -0.017 0.000 2.417 333 V HA 0.464 4.584 4.120 0.000 0.000 0.291 333 V C -0.197 175.887 176.094 -0.017 0.000 1.024 333 V CA -0.886 61.399 62.300 -0.026 0.000 0.861 333 V CB 1.148 32.951 31.823 -0.033 0.000 0.985 333 V HN 0.758 nan 8.190 nan 0.000 0.436 334 L N 5.643 126.856 121.223 -0.017 0.000 2.322 334 L HA 0.682 5.022 4.340 0.000 0.000 0.279 334 L C 0.124 176.940 176.870 -0.090 0.000 1.036 334 L CA -0.594 54.254 54.840 0.012 0.000 0.807 334 L CB 1.456 43.581 42.059 0.109 0.000 1.226 334 L HN 0.585 nan 8.230 nan 0.000 0.433 335 R N 1.512 121.950 120.500 -0.104 0.000 2.888 335 R HA 0.549 4.889 4.340 0.000 0.000 0.266 335 R C -1.226 174.885 176.300 -0.314 0.000 1.020 335 R CA -1.161 54.819 56.100 -0.198 0.000 0.963 335 R CB 2.023 32.258 30.300 -0.109 0.000 1.197 335 R HN 0.292 nan 8.270 nan 0.000 0.481 336 L N 3.234 124.244 121.223 -0.355 0.000 2.410 336 L HA 0.192 4.532 4.340 0.000 0.000 0.273 336 L C -1.866 174.913 176.870 -0.151 0.000 1.144 336 L CA -1.657 52.965 54.840 -0.363 0.000 0.863 336 L CB 1.046 42.920 42.059 -0.309 0.000 1.140 336 L HN 0.490 nan 8.230 nan 0.000 0.463 337 P HA -0.047 nan 4.420 nan 0.000 0.223 337 P C -0.814 176.481 177.300 -0.008 0.000 1.151 337 P CA 1.026 64.135 63.100 0.015 0.000 0.787 337 P CB 0.349 32.100 31.700 0.085 0.000 0.788 338 E N -1.249 118.933 120.200 -0.030 0.000 2.408 338 E HA 0.236 4.586 4.350 0.000 0.000 0.275 338 E C -1.070 175.500 176.600 -0.051 0.000 0.935 338 E CA -0.986 55.400 56.400 -0.023 0.000 0.775 338 E CB 1.038 30.741 29.700 0.004 0.000 1.277 338 E HN -0.156 nan 8.360 nan 0.000 0.455 339 D N 0.614 120.991 120.400 -0.039 0.000 2.443 339 D HA 0.438 5.078 4.640 0.000 0.000 0.239 339 D C 0.154 176.423 176.300 -0.051 0.000 1.136 339 D CA 0.762 54.731 54.000 -0.052 0.000 0.879 339 D CB 1.238 42.019 40.800 -0.032 0.000 1.195 339 D HN 0.598 nan 8.370 nan 0.000 0.443 340 G N -0.658 108.094 108.800 -0.080 0.000 2.340 340 G HA2 0.405 4.365 3.960 0.000 0.000 0.299 340 G HA3 0.405 4.365 3.960 0.000 0.000 0.299 340 G C -1.800 173.018 174.900 -0.137 0.000 1.291 340 G CA -0.651 44.398 45.100 -0.086 0.000 0.841 340 G HN 0.330 nan 8.290 nan 0.000 0.500 341 V N 2.577 122.386 119.914 -0.175 0.000 2.326 341 V HA 0.461 4.581 4.120 0.000 0.000 0.281 341 V C -2.079 173.877 176.094 -0.229 0.000 1.015 341 V CA -1.393 60.741 62.300 -0.276 0.000 0.823 341 V CB 1.654 33.152 31.823 -0.542 0.000 1.009 341 V HN 0.588 nan 8.190 nan 0.000 0.436 342 P HA 0.173 nan 4.420 nan 0.000 0.266 342 P C 0.432 177.704 177.300 -0.045 0.000 1.215 342 P CA 0.090 63.179 63.100 -0.018 0.000 0.763 342 P CB 1.352 33.078 31.700 0.044 0.000 0.806 343 I N 3.150 123.703 120.570 -0.028 0.000 2.731 343 I HA 0.064 4.234 4.170 0.000 0.000 0.260 343 I C 1.149 177.218 176.117 -0.081 0.000 1.138 343 I CA 0.875 62.086 61.300 -0.149 0.000 1.461 343 I CB -0.742 37.091 38.000 -0.279 0.000 1.128 343 I HN 0.316 nan 8.210 nan 0.000 0.438 344 L N -0.968 120.251 121.223 -0.007 0.000 2.540 344 L HA 0.614 4.954 4.340 0.000 0.000 0.256 344 L C -0.783 176.001 176.870 -0.143 0.000 1.001 344 L CA -0.767 54.019 54.840 -0.090 0.000 0.843 344 L CB 1.783 43.824 42.059 -0.029 0.000 1.436 344 L HN 0.215 nan 8.230 nan 0.000 0.410 345 H N -0.677 118.176 119.070 -0.362 0.000 2.949 345 H HA 0.696 5.252 4.556 0.000 0.000 0.356 345 H C -1.214 173.900 175.328 -0.356 0.000 1.212 345 H CA -1.217 54.458 56.048 -0.622 0.000 1.136 345 H CB 0.761 29.674 29.762 -1.415 0.000 1.869 345 H HN 0.722 nan 8.280 nan 0.000 0.556 346 F N 1.289 121.153 119.950 -0.145 0.000 2.602 346 F HA 0.340 4.867 4.527 0.000 0.000 0.367 346 F C 1.235 176.979 175.800 -0.094 0.000 1.126 346 F CA 0.461 58.424 58.000 -0.062 0.000 1.321 346 F CB 0.611 39.648 39.000 0.063 0.000 1.094 346 F HN 0.824 nan 8.300 nan 0.000 0.594 347 A N 3.642 126.104 122.820 -0.596 0.000 2.238 347 A HA 0.174 4.494 4.320 0.000 0.000 0.208 347 A C 0.805 178.109 177.584 -0.467 0.000 1.177 347 A CA 0.799 52.550 52.037 -0.478 0.000 0.804 347 A CB -0.435 18.332 19.000 -0.389 0.000 0.823 347 A HN 0.573 nan 8.150 nan 0.000 0.482 348 S N -2.064 113.242 115.700 -0.658 0.000 2.600 348 S HA 0.614 5.084 4.470 0.000 0.000 0.300 348 S C 0.582 175.272 174.600 0.150 0.000 1.087 348 S CA 0.060 58.085 58.200 -0.292 0.000 0.965 348 S CB 1.775 64.731 63.200 -0.406 0.000 1.089 348 S HN 0.683 nan 8.310 nan 0.000 0.496 349 A N 1.941 124.850 122.820 0.149 0.000 2.275 349 A HA 0.389 4.709 4.320 0.000 0.000 0.212 349 A C 0.602 178.253 177.584 0.111 0.000 1.201 349 A CA 0.317 52.461 52.037 0.178 0.000 0.843 349 A CB -0.490 18.569 19.000 0.099 0.000 0.873 349 A HN 1.139 nan 8.150 nan 0.000 0.492 350 S N 0.142 115.918 115.700 0.127 0.000 2.552 350 S HA 0.636 5.106 4.470 0.000 0.000 0.314 350 S C -0.551 174.064 174.600 0.025 0.000 1.099 350 S CA -0.204 58.026 58.200 0.050 0.000 1.070 350 S CB 1.139 64.347 63.200 0.013 0.000 0.998 350 S HN 1.029 nan 8.310 nan 0.000 0.474 351 V N 0.256 120.132 119.914 -0.063 0.000 2.914 351 V HA 0.693 4.813 4.120 0.000 0.000 0.314 351 V C -0.823 175.165 176.094 -0.177 0.000 1.084 351 V CA -0.872 61.314 62.300 -0.189 0.000 0.963 351 V CB 1.438 33.172 31.823 -0.149 0.000 1.025 351 V HN 0.969 nan 8.190 nan 0.000 0.432 352 H N 1.269 120.306 119.070 -0.054 0.000 2.508 352 H HA 0.428 4.984 4.556 0.000 0.000 0.344 352 H C -0.049 175.239 175.328 -0.067 0.000 1.192 352 H CA -0.449 55.571 56.048 -0.047 0.000 1.290 352 H CB 1.194 30.930 29.762 -0.042 0.000 1.571 352 H HN 0.908 nan 8.280 nan 0.000 0.555 353 Q N 0.065 119.911 119.800 0.077 0.000 2.286 353 Q HA 0.150 4.490 4.340 0.000 0.000 0.290 353 Q C 0.623 176.613 176.000 -0.016 0.000 1.049 353 Q CA 1.064 56.868 55.803 0.003 0.000 0.923 353 Q CB 0.111 28.840 28.738 -0.015 0.000 1.183 353 Q HN 0.993 nan 8.270 nan 0.000 0.383 354 G N 2.706 111.476 108.800 -0.049 0.000 2.217 354 G HA2 -0.248 3.712 3.960 0.000 0.000 0.246 354 G HA3 -0.248 3.712 3.960 0.000 0.000 0.246 354 G C 0.141 175.025 174.900 -0.026 0.000 0.990 354 G CA 0.191 45.252 45.100 -0.065 0.000 0.627 354 G HN 0.667 nan 8.290 nan 0.000 0.522 355 T N 1.344 115.847 114.554 -0.085 0.000 2.928 355 T HA 0.346 4.696 4.350 0.000 0.000 0.305 355 T C 0.428 175.015 174.700 -0.188 0.000 1.035 355 T CA 0.470 62.436 62.100 -0.223 0.000 1.145 355 T CB 1.445 70.023 68.868 -0.484 0.000 0.963 355 T HN 0.416 nan 8.240 nan 0.000 0.545 356 E N 3.078 123.174 120.200 -0.172 0.000 2.220 356 E HA 0.085 4.435 4.350 0.000 0.000 0.272 356 E C 0.512 177.030 176.600 -0.136 0.000 1.099 356 E CA -0.258 56.049 56.400 -0.155 0.000 0.907 356 E CB 0.244 29.887 29.700 -0.095 0.000 1.022 356 E HN 0.603 nan 8.360 nan 0.000 0.428 357 L N 4.587 125.811 121.223 0.001 0.000 2.102 357 L HA 0.036 4.376 4.340 0.000 0.000 0.202 357 L C 0.060 177.091 176.870 0.268 0.000 1.076 357 L CA 0.780 55.762 54.840 0.237 0.000 0.761 357 L CB 0.156 42.493 42.059 0.464 0.000 0.921 357 L HN 0.570 nan 8.230 nan 0.000 0.444 358 Y N -1.433 118.967 120.300 0.168 0.000 2.588 358 Y HA 0.377 4.928 4.550 0.000 0.000 0.343 358 Y C -0.554 175.335 175.900 -0.018 0.000 1.065 358 Y CA -1.223 56.942 58.100 0.109 0.000 1.038 358 Y CB 1.552 40.068 38.460 0.093 0.000 1.297 358 Y HN -0.239 nan 8.280 nan 0.000 0.467 359 K N 1.878 122.337 120.400 0.099 0.000 2.244 359 K HA 0.777 5.097 4.320 0.000 0.000 0.260 359 K C -1.268 175.330 176.600 -0.003 0.000 0.951 359 K CA -0.642 55.561 56.287 -0.140 0.000 0.826 359 K CB 2.139 34.406 32.500 -0.389 0.000 1.108 359 K HN 0.341 nan 8.250 nan 0.000 0.433 363 K N 0.219 120.683 120.400 0.107 0.000 3.148 363 K HA -0.103 4.217 4.320 0.000 0.000 0.267 363 K C -0.060 176.689 176.600 0.249 0.000 0.996 363 K CA 0.523 56.913 56.287 0.172 0.000 0.737 363 K CB -2.045 30.570 32.500 0.191 0.000 1.308 363 K HN 0.608 nan 8.250 nan 0.000 0.470 364 V N 1.516 121.523 119.914 0.156 0.000 2.649 364 V HA 0.478 4.598 4.120 0.000 0.000 0.292 364 V C 0.228 176.470 176.094 0.246 0.000 1.055 364 V CA 0.007 62.368 62.300 0.102 0.000 1.023 364 V CB 0.174 32.000 31.823 0.005 0.000 0.992 364 V HN 0.301 nan 8.190 nan 0.000 0.480 365 F N 0.617 120.649 119.950 0.137 0.000 2.613 365 F HA 0.674 5.201 4.527 0.000 0.000 0.314 365 F C -0.311 175.616 175.800 0.212 0.000 1.075 365 F CA -1.386 56.709 58.000 0.157 0.000 0.945 365 F CB 1.432 40.490 39.000 0.095 0.000 1.310 365 F HN 0.480 nan 8.300 nan 0.000 0.467 366 E N 2.419 122.833 120.200 0.356 0.000 2.344 366 E HA 0.316 4.666 4.350 0.000 0.000 0.270 366 E C -0.736 175.896 176.600 0.054 0.000 1.021 366 E CA -0.412 55.998 56.400 0.017 0.000 0.887 366 E CB 0.787 30.449 29.700 -0.063 0.000 0.997 366 E HN 0.709 nan 8.360 nan 0.000 0.429 367 L N 0.000 121.128 121.223 -0.158 0.000 2.949 367 L HA 0.000 4.340 4.340 0.000 0.000 0.249 367 L CA 0.000 54.802 54.840 -0.064 0.000 0.813 367 L CB 0.000 41.953 42.059 -0.177 0.000 0.961 367 L HN 0.000 nan 8.230 nan 0.000 0.502