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 3nfu_1_B DATA FIRST_RESID 1 DATA SEQUENCE LFPKITKMNV VPVAGEDGFL LNLSGGHEPW FIRCVLVLED ESGNRGVGEI DATA SEQUENCE PSSEGILNGL EKCRSLVEGA RVNEVKQVLS RARGLLAQGG PEERGRQTFD DATA SEQUENCE LRVAVHVITA IESALFDLFG QALGMPVADL LGQYGRQRDE VEALGYLFLL DATA SEQUENCE GDPDKTDLPY PRVADPVDAW DEVRYREAMT PEAVANLARA AYDRYGFKDF DATA SEQUENCE KLKGGVLRGE EEADCIRALH EAFPEARLAL DPNGAWKLDE AVRVLEPIKH DATA SEQUENCE LLSYAEDPCG QEGGFSGRET MAEFKKRTGL PTATNMIATD YKQLQYAVQL DATA SEQUENCE NSVDIPLADC HFWTMQGAVA VGELCNEWGM TWGSHSNNHF DISLAMMTHV DATA SEQUENCE AAACPGEITA IDTHWIWQDG QRITREPFQI RDGKLTVPKT PGLGIELDDD DATA SEQUENCE KLMEAHETYK RLDVTQRNDA MAMQYLIPGW EFDPKRPALV E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.634 176.870 -0.393 0.000 1.165 1 L CA 0.000 54.735 54.840 -0.175 0.000 0.813 1 L CB 0.000 42.032 42.059 -0.045 0.000 0.961 2 F N 1.490 121.444 119.950 0.006 0.000 2.540 2 F HA 0.546 5.074 4.527 0.001 0.000 0.317 2 F C -2.102 173.692 175.800 -0.009 0.000 1.104 2 F CA -1.675 56.333 58.000 0.012 0.000 0.913 2 F CB 1.610 40.613 39.000 0.005 0.000 1.170 2 F HN 0.054 nan 8.300 nan 0.000 0.450 3 P HA 0.104 nan 4.420 nan 0.000 0.269 3 P C -0.982 176.355 177.300 0.063 0.000 1.209 3 P CA -0.299 62.853 63.100 0.086 0.000 0.776 3 P CB 0.877 32.622 31.700 0.075 0.000 0.876 4 K N 1.616 122.034 120.400 0.030 0.000 2.154 4 K HA 0.310 4.630 4.320 0.001 0.000 0.264 4 K C 0.173 176.774 176.600 0.002 0.000 1.008 4 K CA -0.862 55.429 56.287 0.007 0.000 0.937 4 K CB 0.310 32.811 32.500 0.001 0.000 1.002 4 K HN 0.305 nan 8.250 nan 0.000 0.469 5 I N 2.442 123.005 120.570 -0.011 0.000 2.587 5 I HA -0.100 4.070 4.170 0.001 0.000 0.284 5 I C 1.573 177.685 176.117 -0.008 0.000 1.134 5 I CA 0.742 62.036 61.300 -0.011 0.000 1.410 5 I CB 0.781 38.769 38.000 -0.020 0.000 1.392 5 I HN 0.766 nan 8.210 nan 0.000 0.545 6 T N 2.278 116.829 114.554 -0.004 0.000 3.040 6 T HA 0.224 4.575 4.350 0.001 0.000 0.252 6 T C 0.711 175.407 174.700 -0.007 0.000 1.064 6 T CA -0.018 62.079 62.100 -0.004 0.000 1.110 6 T CB 0.228 69.095 68.868 -0.001 0.000 0.921 6 T HN 0.409 nan 8.240 nan 0.000 0.480 7 K N 0.331 120.726 120.400 -0.008 0.000 2.523 7 K HA 0.609 4.930 4.320 0.001 0.000 0.257 7 K C -1.973 174.619 176.600 -0.014 0.000 0.932 7 K CA -0.784 55.496 56.287 -0.011 0.000 0.812 7 K CB 2.480 34.972 32.500 -0.012 0.000 1.326 7 K HN 0.215 nan 8.250 nan 0.000 0.433 8 M N 3.481 123.071 119.600 -0.017 0.000 2.151 8 M HA 0.436 4.917 4.480 0.001 0.000 0.290 8 M C -1.939 174.344 176.300 -0.027 0.000 0.965 8 M CA -0.375 54.913 55.300 -0.019 0.000 0.930 8 M CB 1.374 33.965 32.600 -0.015 0.000 1.560 8 M HN 0.576 nan 8.290 nan 0.000 0.438 9 N N 3.113 121.792 118.700 -0.036 0.000 2.399 9 N HA 0.500 5.241 4.740 0.001 0.000 0.280 9 N C -1.533 173.940 175.510 -0.063 0.000 1.008 9 N CA -0.561 52.456 53.050 -0.056 0.000 0.894 9 N CB 2.651 41.095 38.487 -0.073 0.000 1.273 9 N HN 0.379 nan 8.380 nan 0.000 0.486 10 V N 2.957 122.831 119.914 -0.066 0.000 2.348 10 V HA 0.310 4.431 4.120 0.001 0.000 0.270 10 V C -0.377 175.647 176.094 -0.115 0.000 1.037 10 V CA -0.526 61.734 62.300 -0.067 0.000 0.872 10 V CB 0.952 32.751 31.823 -0.041 0.000 1.002 10 V HN 0.387 nan 8.190 nan 0.000 0.464 11 V N 8.086 127.918 119.914 -0.137 0.000 2.305 11 V HA 0.337 4.458 4.120 0.001 0.000 0.275 11 V C -2.260 173.734 176.094 -0.166 0.000 1.020 11 V CA -1.789 60.388 62.300 -0.205 0.000 0.811 11 V CB 1.497 33.179 31.823 -0.234 0.000 1.031 11 V HN 0.675 nan 8.190 nan 0.000 0.439 12 P HA 0.316 nan 4.420 nan 0.000 0.271 12 P C -0.532 176.542 177.300 -0.378 0.000 1.216 12 P CA 0.161 62.977 63.100 -0.472 0.000 0.776 12 P CB 1.724 32.815 31.700 -1.016 0.000 0.881 13 V N -0.862 118.867 119.914 -0.309 0.000 3.078 13 V HA 0.974 5.095 4.120 0.001 0.000 0.311 13 V C -0.970 175.142 176.094 0.031 0.000 1.138 13 V CA -1.453 60.795 62.300 -0.087 0.000 1.007 13 V CB 1.744 33.482 31.823 -0.142 0.000 1.045 13 V HN 0.702 nan 8.190 nan 0.000 0.432 14 A N 0.795 123.668 122.820 0.088 0.000 2.475 14 A HA 1.056 5.377 4.320 0.001 0.000 0.301 14 A C -0.051 177.522 177.584 -0.019 0.000 1.059 14 A CA -0.044 51.988 52.037 -0.008 0.000 0.710 14 A CB 1.680 20.704 19.000 0.040 0.000 1.288 14 A HN 2.071 nan 8.150 nan 0.000 0.408 15 G N -0.185 108.339 108.800 -0.460 0.000 3.176 15 G HA2 0.651 4.612 3.960 0.001 0.000 0.272 15 G HA3 0.651 4.612 3.960 0.001 0.000 0.272 15 G C -1.096 173.766 174.900 -0.064 0.000 1.349 15 G CA -0.598 44.349 45.100 -0.255 0.000 0.953 15 G HN 0.718 nan 8.290 nan 0.000 0.559 16 E N -0.440 119.878 120.200 0.195 0.000 2.212 16 E HA 0.528 4.879 4.350 0.001 0.000 0.270 16 E C -1.411 175.365 176.600 0.294 0.000 0.956 16 E CA -0.536 55.998 56.400 0.223 0.000 0.825 16 E CB 2.334 32.122 29.700 0.147 0.000 1.167 16 E HN 0.316 nan 8.360 nan 0.000 0.400 17 D N -0.125 120.392 120.400 0.195 0.000 2.602 17 D HA 0.395 5.036 4.640 0.001 0.000 0.236 17 D C -0.572 175.817 176.300 0.147 0.000 1.209 17 D CA -0.466 53.603 54.000 0.115 0.000 0.831 17 D CB 1.772 42.606 40.800 0.057 0.000 1.478 17 D HN 0.457 nan 8.370 nan 0.000 0.438 18 G N -0.079 108.754 108.800 0.055 0.000 2.563 18 G HA2 0.234 4.194 3.960 0.001 0.000 0.283 18 G HA3 0.234 4.194 3.960 0.001 0.000 0.283 18 G C -0.327 174.540 174.900 -0.054 0.000 1.309 18 G CA -0.647 44.481 45.100 0.046 0.000 1.022 18 G HN 0.468 nan 8.290 nan 0.000 0.501 19 F N 0.726 120.342 119.950 -0.557 0.000 2.669 19 F HA 0.309 4.837 4.527 0.001 0.000 0.353 19 F C -0.279 175.188 175.800 -0.555 0.000 1.192 19 F CA -1.113 56.429 58.000 -0.762 0.000 1.317 19 F CB -0.083 38.282 39.000 -1.057 0.000 1.652 19 F HN -0.108 nan 8.300 nan 0.000 0.608 20 L N 3.379 124.367 121.223 -0.392 0.000 2.360 20 L HA 0.186 4.527 4.340 0.001 0.000 0.276 20 L C -0.139 176.488 176.870 -0.406 0.000 1.121 20 L CA 0.206 54.596 54.840 -0.749 0.000 0.845 20 L CB 0.972 41.970 42.059 -1.768 0.000 1.143 20 L HN 0.294 nan 8.230 nan 0.000 0.452 21 L N 4.482 125.587 121.223 -0.196 0.000 2.307 21 L HA 0.523 4.863 4.340 0.001 0.000 0.282 21 L C -0.028 176.898 176.870 0.093 0.000 1.051 21 L CA -0.421 54.384 54.840 -0.060 0.000 0.804 21 L CB 1.193 43.172 42.059 -0.133 0.000 1.197 21 L HN 0.889 nan 8.230 nan 0.000 0.431 22 N N 0.953 119.737 118.700 0.141 0.000 3.039 22 N HA 0.247 4.988 4.740 0.001 0.000 0.257 22 N C 0.215 175.870 175.510 0.241 0.000 1.497 22 N CA -0.922 52.251 53.050 0.205 0.000 0.861 22 N CB 0.878 39.563 38.487 0.331 0.000 1.479 22 N HN 0.280 nan 8.380 nan 0.000 0.547 23 L N 0.397 121.781 121.223 0.270 0.000 2.043 23 L HA -0.044 4.297 4.340 0.001 0.000 0.212 23 L C 1.665 178.896 176.870 0.601 0.000 1.075 23 L CA 2.021 57.082 54.840 0.368 0.000 0.752 23 L CB -0.892 41.350 42.059 0.304 0.000 0.891 23 L HN 0.762 nan 8.230 nan 0.000 0.432 24 S N -0.643 115.358 115.700 0.503 0.000 2.515 24 S HA 0.326 4.796 4.470 0.001 0.000 0.231 24 S C 0.954 175.863 174.600 0.514 0.000 0.987 24 S CA 0.576 59.056 58.200 0.467 0.000 0.936 24 S CB -0.279 63.074 63.200 0.255 0.000 0.766 24 S HN 0.898 nan 8.310 nan 0.000 0.528 25 G N 0.071 109.050 108.800 0.297 0.000 2.178 25 G HA2 0.274 4.234 3.960 0.001 0.000 0.147 25 G HA3 0.274 4.234 3.960 0.001 0.000 0.147 25 G C -0.363 174.515 174.900 -0.036 0.000 1.245 25 G CA -0.496 44.520 45.100 -0.140 0.000 1.275 25 G HN 0.626 nan 8.290 nan 0.000 0.491 26 G N -0.376 108.415 108.800 -0.015 0.000 2.544 26 G HA2 0.651 4.612 3.960 0.001 0.000 0.313 26 G HA3 0.651 4.612 3.960 0.001 0.000 0.313 26 G C -0.469 174.509 174.900 0.128 0.000 1.316 26 G CA -0.370 44.811 45.100 0.136 0.000 0.944 26 G HN 0.726 nan 8.290 nan 0.000 0.489 27 H N 1.223 120.252 119.070 -0.069 0.000 2.972 27 H HA -0.002 4.555 4.556 0.001 0.000 0.343 27 H C 0.331 175.522 175.328 -0.228 0.000 1.054 27 H CA 0.399 56.341 56.048 -0.176 0.000 1.412 27 H CB 1.468 31.077 29.762 -0.255 0.000 1.385 27 H HN 0.496 nan 8.280 nan 0.000 0.600 28 E N 3.680 123.677 120.200 -0.338 0.000 2.392 28 E HA -0.023 4.328 4.350 0.001 0.000 0.259 28 E C -1.536 174.560 176.600 -0.840 0.000 1.108 28 E CA -1.618 54.289 56.400 -0.822 0.000 0.916 28 E CB 0.454 29.404 29.700 -1.250 0.000 0.989 28 E HN 0.479 nan 8.360 nan 0.000 0.432 29 P HA -0.095 nan 4.420 nan 0.000 0.225 29 P C -1.003 176.119 177.300 -0.296 0.000 1.148 29 P CA 0.934 63.505 63.100 -0.882 0.000 0.779 29 P CB 0.034 31.124 31.700 -1.018 0.000 0.780 30 W N 0.379 121.596 121.300 -0.139 0.000 2.689 30 W HA 0.652 5.312 4.660 0.001 0.000 0.340 30 W C -0.886 175.635 176.519 0.005 0.000 1.060 30 W CA -1.571 55.727 57.345 -0.078 0.000 1.218 30 W CB 0.212 29.593 29.460 -0.133 0.000 1.410 30 W HN -0.186 nan 8.180 nan 0.000 0.528 31 F N 1.885 121.885 119.950 0.084 0.000 2.561 31 F HA 0.832 5.360 4.527 0.001 0.000 0.321 31 F C -0.876 174.993 175.800 0.115 0.000 1.065 31 F CA -1.756 56.242 58.000 -0.003 0.000 0.934 31 F CB 1.042 39.952 39.000 -0.150 0.000 1.215 31 F HN 0.158 nan 8.300 nan 0.000 0.471 32 I N 3.571 124.199 120.570 0.096 0.000 2.474 32 I HA 0.585 4.755 4.170 0.001 0.000 0.294 32 I C -0.381 175.799 176.117 0.105 0.000 1.005 32 I CA -0.806 60.543 61.300 0.083 0.000 1.113 32 I CB 1.742 39.842 38.000 0.167 0.000 1.289 32 I HN 0.736 nan 8.210 nan 0.000 0.436 33 R N 3.002 123.545 120.500 0.072 0.000 2.799 33 R HA 0.496 4.836 4.340 0.001 0.000 0.270 33 R C -1.416 174.872 176.300 -0.020 0.000 1.010 33 R CA -0.520 55.637 56.100 0.096 0.000 0.916 33 R CB 2.114 32.580 30.300 0.277 0.000 1.228 33 R HN 0.676 nan 8.270 nan 0.000 0.469 34 C N 1.348 120.641 119.300 -0.012 0.000 2.345 34 C HA 0.684 5.145 4.460 0.001 0.000 0.323 34 C C -0.408 174.575 174.990 -0.011 0.000 1.276 34 C CA -0.331 58.654 59.018 -0.056 0.000 1.543 34 C CB 0.651 28.360 27.740 -0.051 0.000 2.211 34 C HN 0.474 nan 8.230 nan 0.000 0.493 35 V N 6.989 126.876 119.914 -0.046 0.000 2.398 35 V HA 0.476 4.597 4.120 0.001 0.000 0.286 35 V C -0.194 175.877 176.094 -0.037 0.000 1.026 35 V CA -0.494 61.788 62.300 -0.030 0.000 0.868 35 V CB 1.406 33.188 31.823 -0.068 0.000 0.982 35 V HN 0.785 nan 8.190 nan 0.000 0.443 36 L N 6.746 127.964 121.223 -0.008 0.000 2.296 36 L HA 0.692 5.032 4.340 0.001 0.000 0.286 36 L C -0.536 176.327 176.870 -0.013 0.000 1.023 36 L CA 0.127 54.961 54.840 -0.010 0.000 0.812 36 L CB 1.656 43.724 42.059 0.014 0.000 1.223 36 L HN 0.439 nan 8.230 nan 0.000 0.421 37 V N 6.696 126.593 119.914 -0.027 0.000 2.384 37 V HA 0.482 4.602 4.120 0.001 0.000 0.287 37 V C -0.032 176.052 176.094 -0.016 0.000 1.020 37 V CA -0.508 61.778 62.300 -0.023 0.000 0.850 37 V CB 1.363 33.163 31.823 -0.039 0.000 0.987 37 V HN 0.630 nan 8.190 nan 0.000 0.436 38 L N 4.115 125.334 121.223 -0.006 0.000 2.342 38 L HA 0.710 5.051 4.340 0.001 0.000 0.271 38 L C -0.266 176.604 176.870 -0.000 0.000 1.008 38 L CA -0.482 54.355 54.840 -0.004 0.000 0.818 38 L CB 2.360 44.418 42.059 -0.001 0.000 1.296 38 L HN 0.627 nan 8.230 nan 0.000 0.427 39 E N 1.327 121.526 120.200 -0.001 0.000 2.248 39 E HA 0.307 4.658 4.350 0.001 0.000 0.267 39 E C -1.710 174.894 176.600 0.006 0.000 0.877 39 E CA -0.645 55.757 56.400 0.004 0.000 0.759 39 E CB 2.342 32.042 29.700 -0.001 0.000 1.182 39 E HN 0.687 nan 8.360 nan 0.000 0.418 40 D N 1.616 122.025 120.400 0.015 0.000 2.592 40 D HA 0.125 4.765 4.640 0.001 0.000 0.259 40 D C 0.555 176.866 176.300 0.019 0.000 1.144 40 D CA -0.370 53.642 54.000 0.019 0.000 1.080 40 D CB 0.613 41.434 40.800 0.034 0.000 1.225 40 D HN 0.417 nan 8.370 nan 0.000 0.619 41 E N -0.852 119.360 120.200 0.020 0.000 2.204 41 E HA -0.123 4.227 4.350 0.001 0.000 0.194 41 E C 1.529 178.138 176.600 0.014 0.000 0.989 41 E CA 1.322 57.731 56.400 0.015 0.000 0.824 41 E CB -0.076 29.632 29.700 0.013 0.000 0.756 41 E HN 0.539 nan 8.360 nan 0.000 0.477 42 S N -1.018 114.695 115.700 0.022 0.000 2.607 42 S HA 0.136 4.607 4.470 0.001 0.000 0.224 42 S C 1.604 176.214 174.600 0.018 0.000 0.969 42 S CA 0.406 58.618 58.200 0.019 0.000 0.927 42 S CB 0.493 63.709 63.200 0.026 0.000 0.772 42 S HN 0.387 nan 8.310 nan 0.000 0.533 43 G N 1.138 109.949 108.800 0.018 0.000 2.213 43 G HA2 -0.242 3.718 3.960 0.001 0.000 0.236 43 G HA3 -0.242 3.718 3.960 0.001 0.000 0.236 43 G C -0.065 174.846 174.900 0.019 0.000 0.991 43 G CA -0.175 44.934 45.100 0.015 0.000 0.629 43 G HN 0.511 nan 8.290 nan 0.000 0.517 44 N N 1.071 119.786 118.700 0.026 0.000 2.374 44 N HA 0.395 5.135 4.740 0.001 0.000 0.241 44 N C 0.568 176.094 175.510 0.026 0.000 1.262 44 N CA 0.495 53.563 53.050 0.031 0.000 0.880 44 N CB 0.266 38.780 38.487 0.045 0.000 1.105 44 N HN 0.519 nan 8.380 nan 0.000 0.438 45 R N 0.059 120.574 120.500 0.025 0.000 2.599 45 R HA 0.643 4.983 4.340 0.001 0.000 0.295 45 R C -0.017 176.297 176.300 0.024 0.000 0.963 45 R CA -0.962 55.150 56.100 0.019 0.000 0.883 45 R CB 1.886 32.192 30.300 0.011 0.000 1.171 45 R HN 0.579 nan 8.270 nan 0.000 0.450 46 G N 1.063 109.876 108.800 0.021 0.000 2.495 46 G HA2 0.572 4.532 3.960 0.001 0.000 0.318 46 G HA3 0.572 4.532 3.960 0.001 0.000 0.318 46 G C -0.699 174.212 174.900 0.019 0.000 1.257 46 G CA -0.512 44.604 45.100 0.026 0.000 0.962 46 G HN 0.389 nan 8.290 nan 0.000 0.483 47 V N -0.671 119.254 119.914 0.020 0.000 3.001 47 V HA 1.053 5.173 4.120 0.001 0.000 0.314 47 V C 0.205 176.319 176.094 0.033 0.000 1.099 47 V CA -0.565 61.745 62.300 0.017 0.000 0.989 47 V CB 1.666 33.492 31.823 0.005 0.000 1.040 47 V HN 1.347 nan 8.190 nan 0.000 0.434 48 G N 0.738 109.564 108.800 0.043 0.000 2.696 48 G HA2 0.675 4.635 3.960 0.001 0.000 0.295 48 G HA3 0.675 4.635 3.960 0.001 0.000 0.295 48 G C -1.753 173.199 174.900 0.086 0.000 1.398 48 G CA -0.496 44.648 45.100 0.074 0.000 0.920 48 G HN 1.075 nan 8.290 nan 0.000 0.492 49 E N 0.370 120.653 120.200 0.138 0.000 2.292 49 E HA 0.671 5.022 4.350 0.001 0.000 0.272 49 E C -0.985 175.733 176.600 0.196 0.000 0.881 49 E CA -0.812 55.679 56.400 0.151 0.000 0.754 49 E CB 2.307 32.116 29.700 0.181 0.000 1.201 49 E HN 0.689 nan 8.360 nan 0.000 0.425 50 I N -0.814 119.828 120.570 0.121 0.000 3.195 50 I HA 0.603 4.773 4.170 0.001 0.000 0.313 50 I C -2.812 173.299 176.117 -0.010 0.000 1.237 50 I CA -3.009 58.342 61.300 0.086 0.000 0.963 50 I CB 1.920 40.035 38.000 0.192 0.000 1.278 50 I HN 0.269 nan 8.210 nan 0.000 0.460 51 P HA 0.102 nan 4.420 nan 0.000 0.270 51 P C -0.799 176.436 177.300 -0.110 0.000 1.221 51 P CA 0.059 63.083 63.100 -0.126 0.000 0.788 51 P CB 0.572 32.106 31.700 -0.277 0.000 0.904 52 S N -0.124 115.535 115.700 -0.069 0.000 2.570 52 S HA 0.784 5.255 4.470 0.001 0.000 0.286 52 S C -1.209 173.390 174.600 -0.001 0.000 1.099 52 S CA -0.253 57.926 58.200 -0.035 0.000 0.913 52 S CB 0.574 63.752 63.200 -0.036 0.000 1.085 52 S HN 0.581 nan 8.310 nan 0.000 0.480 53 S N 2.146 117.859 115.700 0.022 0.000 2.595 53 S HA 0.424 4.895 4.470 0.001 0.000 0.270 53 S C 0.359 174.994 174.600 0.058 0.000 1.145 53 S CA -0.799 57.433 58.200 0.052 0.000 0.825 53 S CB 0.736 63.964 63.200 0.047 0.000 1.107 53 S HN 0.644 nan 8.310 nan 0.000 0.461 54 E N 0.906 121.147 120.200 0.067 0.000 2.070 54 E HA -0.152 4.199 4.350 0.001 0.000 0.197 54 E C 2.073 178.703 176.600 0.050 0.000 1.004 54 E CA 1.744 58.180 56.400 0.060 0.000 0.805 54 E CB -0.796 28.936 29.700 0.053 0.000 0.744 54 E HN 0.814 nan 8.360 nan 0.000 0.451 55 G N 1.378 110.209 108.800 0.051 0.000 2.476 55 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 55 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 55 G C 1.620 176.553 174.900 0.056 0.000 1.164 55 G CA 0.904 46.036 45.100 0.052 0.000 0.768 55 G HN 0.147 nan 8.290 nan 0.000 0.560 56 I N 0.454 121.058 120.570 0.058 0.000 2.179 56 I HA -0.146 4.024 4.170 0.001 0.000 0.242 56 I C 2.741 178.886 176.117 0.047 0.000 1.088 56 I CA 0.754 62.091 61.300 0.062 0.000 1.357 56 I CB -0.215 37.813 38.000 0.046 0.000 1.051 56 I HN 0.138 nan 8.210 nan 0.000 0.409 57 L N 0.317 121.560 121.223 0.034 0.000 2.042 57 L HA -0.232 4.109 4.340 0.001 0.000 0.210 57 L C 2.283 179.170 176.870 0.029 0.000 1.076 57 L CA 1.248 56.103 54.840 0.025 0.000 0.749 57 L CB -0.913 41.161 42.059 0.025 0.000 0.893 57 L HN 0.341 nan 8.230 nan 0.000 0.432 58 N N 0.581 119.301 118.700 0.034 0.000 2.142 58 N HA -0.119 4.622 4.740 0.001 0.000 0.186 58 N C 1.923 177.451 175.510 0.031 0.000 1.023 58 N CA 1.562 54.630 53.050 0.031 0.000 0.852 58 N CB -0.646 37.860 38.487 0.032 0.000 0.998 58 N HN 0.355 nan 8.380 nan 0.000 0.424 59 G N 1.452 110.275 108.800 0.039 0.000 2.442 59 G HA2 -0.171 3.789 3.960 0.001 0.000 0.219 59 G HA3 -0.171 3.789 3.960 0.001 0.000 0.219 59 G C 1.720 176.643 174.900 0.038 0.000 1.141 59 G CA 0.401 45.526 45.100 0.042 0.000 0.763 59 G HN 0.221 nan 8.290 nan 0.000 0.554 60 L N 0.068 121.314 121.223 0.037 0.000 2.046 60 L HA -0.042 4.299 4.340 0.001 0.000 0.208 60 L C 2.943 179.825 176.870 0.019 0.000 1.077 60 L CA 0.980 55.837 54.840 0.029 0.000 0.747 60 L CB -0.272 41.802 42.059 0.025 0.000 0.896 60 L HN 0.096 nan 8.230 nan 0.000 0.432 61 E N 0.445 120.655 120.200 0.017 0.000 2.118 61 E HA -0.216 4.135 4.350 0.001 0.000 0.195 61 E C 2.144 178.751 176.600 0.012 0.000 0.992 61 E CA 1.135 57.543 56.400 0.013 0.000 0.804 61 E CB -0.122 29.586 29.700 0.014 0.000 0.741 61 E HN 0.442 nan 8.360 nan 0.000 0.458 62 K N -0.214 120.196 120.400 0.016 0.000 2.097 62 K HA -0.079 4.242 4.320 0.001 0.000 0.206 62 K C 2.085 178.692 176.600 0.012 0.000 1.049 62 K CA 1.225 57.520 56.287 0.015 0.000 0.933 62 K CB -0.073 32.438 32.500 0.018 0.000 0.717 62 K HN 0.140 nan 8.250 nan 0.000 0.442 63 C N 0.280 119.589 119.300 0.014 0.000 2.618 63 C HA 0.114 4.575 4.460 0.001 0.000 0.264 63 C C 2.363 177.355 174.990 0.004 0.000 1.334 63 C CA -0.463 58.561 59.018 0.011 0.000 1.731 63 C CB -0.814 26.936 27.740 0.017 0.000 1.852 63 C HN 0.452 nan 8.230 nan 0.000 0.566 64 R N 2.356 122.858 120.500 0.003 0.000 2.113 64 R HA -0.215 4.126 4.340 0.001 0.000 0.244 64 R C 2.171 178.468 176.300 -0.006 0.000 1.142 64 R CA 2.532 58.631 56.100 -0.001 0.000 0.953 64 R CB -0.335 29.964 30.300 -0.001 0.000 0.860 64 R HN 0.628 nan 8.270 nan 0.000 0.438 65 S N -0.099 115.599 115.700 -0.005 0.000 2.453 65 S HA -0.034 4.437 4.470 0.001 0.000 0.231 65 S C 2.013 176.606 174.600 -0.012 0.000 1.005 65 S CA 0.654 58.850 58.200 -0.008 0.000 0.949 65 S CB -0.188 63.009 63.200 -0.006 0.000 0.774 65 S HN 0.365 nan 8.310 nan 0.000 0.510 66 L N 0.747 121.964 121.223 -0.011 0.000 2.217 66 L HA 0.037 4.377 4.340 0.001 0.000 0.211 66 L C 2.394 179.249 176.870 -0.025 0.000 1.107 66 L CA 0.580 55.410 54.840 -0.017 0.000 0.783 66 L CB -0.362 41.688 42.059 -0.014 0.000 0.919 66 L HN 0.260 nan 8.230 nan 0.000 0.442 67 V N -1.366 118.536 119.914 -0.021 0.000 2.436 67 V HA -0.055 4.066 4.120 0.001 0.000 0.240 67 V C 0.876 176.954 176.094 -0.027 0.000 1.040 67 V CA 0.370 62.654 62.300 -0.026 0.000 1.052 67 V CB -0.245 31.568 31.823 -0.017 0.000 0.707 67 V HN 0.295 nan 8.190 nan 0.000 0.469 68 E N 0.782 120.971 120.200 -0.019 0.000 2.480 68 E HA 0.266 4.617 4.350 0.001 0.000 0.258 68 E C 1.198 177.787 176.600 -0.020 0.000 0.984 68 E CA 0.816 57.205 56.400 -0.018 0.000 0.930 68 E CB 0.149 29.841 29.700 -0.013 0.000 0.936 68 E HN 0.569 nan 8.360 nan 0.000 0.466 69 G N 2.246 111.035 108.800 -0.019 0.000 2.162 69 G HA2 -0.328 3.633 3.960 0.001 0.000 0.260 69 G HA3 -0.328 3.633 3.960 0.001 0.000 0.260 69 G C 0.318 175.201 174.900 -0.027 0.000 0.976 69 G CA 0.089 45.178 45.100 -0.019 0.000 0.655 69 G HN 0.768 nan 8.290 nan 0.000 0.533 70 A N -0.001 122.796 122.820 -0.038 0.000 2.340 70 A HA 0.752 5.072 4.320 0.001 0.000 0.268 70 A C 0.767 178.312 177.584 -0.065 0.000 1.100 70 A CA -0.277 51.725 52.037 -0.058 0.000 0.803 70 A CB 0.415 19.371 19.000 -0.074 0.000 1.043 70 A HN 0.481 nan 8.150 nan 0.000 0.488 71 R N 1.174 121.627 120.500 -0.079 0.000 2.390 71 R HA 0.222 4.563 4.340 0.001 0.000 0.291 71 R C 1.405 177.592 176.300 -0.188 0.000 1.070 71 R CA 0.147 56.199 56.100 -0.080 0.000 1.014 71 R CB 0.952 31.224 30.300 -0.047 0.000 1.007 71 R HN 0.697 nan 8.270 nan 0.000 0.466 72 V N 0.666 120.477 119.914 -0.172 0.000 2.469 72 V HA -0.284 3.837 4.120 0.001 0.000 0.251 72 V C 1.766 177.382 176.094 -0.796 0.000 1.064 72 V CA 1.981 64.100 62.300 -0.301 0.000 1.066 72 V CB -0.708 31.063 31.823 -0.087 0.000 0.667 72 V HN 0.863 nan 8.190 nan 0.000 0.461 73 N N 1.296 119.385 118.700 -1.019 0.000 2.459 73 N HA -0.184 4.557 4.740 0.001 0.000 0.181 73 N C 1.310 176.205 175.510 -1.024 0.000 1.046 73 N CA 1.451 53.476 53.050 -1.708 0.000 0.904 73 N CB -0.449 37.170 38.487 -1.446 0.000 0.964 73 N HN 0.738 nan 8.380 nan 0.000 0.444 74 E N 0.684 120.519 120.200 -0.610 0.000 2.359 74 E HA 0.033 4.383 4.350 0.001 0.000 0.187 74 E C 1.427 177.808 176.600 -0.364 0.000 1.081 74 E CA -0.304 55.864 56.400 -0.386 0.000 0.929 74 E CB 0.356 29.915 29.700 -0.235 0.000 1.086 74 E HN 0.130 nan 8.360 nan 0.000 0.462 75 V N 1.345 120.950 119.914 -0.515 0.000 2.282 75 V HA -0.382 3.739 4.120 0.001 0.000 0.249 75 V C 1.849 177.779 176.094 -0.273 0.000 1.057 75 V CA 2.059 64.099 62.300 -0.433 0.000 1.032 75 V CB -0.067 31.350 31.823 -0.678 0.000 0.645 75 V HN 0.247 nan 8.190 nan 0.000 0.447 76 K N -0.798 119.454 120.400 -0.245 0.000 2.097 76 K HA -0.171 4.150 4.320 0.001 0.000 0.206 76 K C 2.263 178.818 176.600 -0.075 0.000 1.049 76 K CA 1.656 57.885 56.287 -0.098 0.000 0.933 76 K CB -0.273 32.195 32.500 -0.053 0.000 0.717 76 K HN 0.499 nan 8.250 nan 0.000 0.442 77 Q N 0.481 120.218 119.800 -0.105 0.000 2.079 77 Q HA -0.092 4.249 4.340 0.001 0.000 0.200 77 Q C 2.347 178.307 176.000 -0.068 0.000 0.974 77 Q CA 1.073 56.829 55.803 -0.078 0.000 0.840 77 Q CB -0.589 28.096 28.738 -0.088 0.000 0.898 77 Q HN 0.139 nan 8.270 nan 0.000 0.430 78 V N 1.522 121.382 119.914 -0.091 0.000 2.261 78 V HA -0.245 3.875 4.120 0.001 0.000 0.246 78 V C 2.465 178.536 176.094 -0.039 0.000 1.047 78 V CA 1.532 63.790 62.300 -0.071 0.000 1.015 78 V CB -0.731 31.035 31.823 -0.095 0.000 0.642 78 V HN 0.240 nan 8.190 nan 0.000 0.446 79 L N -0.052 121.152 121.223 -0.032 0.000 2.083 79 L HA -0.167 4.174 4.340 0.001 0.000 0.209 79 L C 2.707 179.585 176.870 0.014 0.000 1.083 79 L CA 1.781 56.626 54.840 0.009 0.000 0.752 79 L CB -0.737 41.347 42.059 0.041 0.000 0.899 79 L HN 0.390 nan 8.230 nan 0.000 0.433 80 S N 0.025 115.726 115.700 0.001 0.000 2.356 80 S HA -0.175 4.296 4.470 0.001 0.000 0.223 80 S C 2.167 176.767 174.600 0.000 0.000 1.032 80 S CA 1.245 59.447 58.200 0.003 0.000 1.005 80 S CB -0.057 63.139 63.200 -0.008 0.000 0.867 80 S HN 0.328 nan 8.310 nan 0.000 0.449 81 R N 0.498 120.993 120.500 -0.009 0.000 2.096 81 R HA 0.043 4.384 4.340 0.001 0.000 0.235 81 R C 2.590 178.890 176.300 0.000 0.000 1.127 81 R CA 1.283 57.378 56.100 -0.008 0.000 0.968 81 R CB -0.493 29.797 30.300 -0.017 0.000 0.861 81 R HN 0.495 nan 8.270 nan 0.000 0.440 82 A N 0.895 123.718 122.820 0.004 0.000 1.968 82 A HA -0.112 4.209 4.320 0.001 0.000 0.217 82 A C 2.003 179.600 177.584 0.022 0.000 1.169 82 A CA 0.930 52.975 52.037 0.013 0.000 0.638 82 A CB -0.228 18.782 19.000 0.017 0.000 0.812 82 A HN 0.188 nan 8.150 nan 0.000 0.446 83 R N -0.789 119.725 120.500 0.024 0.000 2.075 83 R HA -0.089 4.252 4.340 0.001 0.000 0.232 83 R C 2.415 178.727 176.300 0.021 0.000 1.126 83 R CA 1.183 57.300 56.100 0.028 0.000 0.963 83 R CB -0.610 29.710 30.300 0.032 0.000 0.858 83 R HN 0.518 nan 8.270 nan 0.000 0.435 84 G N 1.349 110.158 108.800 0.015 0.000 2.418 84 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 84 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 84 G C 1.340 176.247 174.900 0.011 0.000 1.158 84 G CA 0.472 45.579 45.100 0.011 0.000 0.771 84 G HN 0.190 nan 8.290 nan 0.000 0.545 85 L N 0.385 121.615 121.223 0.011 0.000 2.017 85 L HA 0.121 4.462 4.340 0.001 0.000 0.208 85 L C 2.575 179.455 176.870 0.016 0.000 1.073 85 L CA 1.483 56.330 54.840 0.012 0.000 0.745 85 L CB -0.497 41.568 42.059 0.010 0.000 0.894 85 L HN 0.194 nan 8.230 nan 0.000 0.432 86 L N -0.449 120.786 121.223 0.021 0.000 2.291 86 L HA -0.053 4.288 4.340 0.001 0.000 0.214 86 L C 2.575 179.459 176.870 0.023 0.000 1.120 86 L CA 0.753 55.608 54.840 0.025 0.000 0.799 86 L CB -0.766 41.312 42.059 0.033 0.000 0.925 86 L HN 0.383 nan 8.230 nan 0.000 0.446 87 A N -0.408 122.424 122.820 0.020 0.000 2.019 87 A HA -0.221 4.100 4.320 0.001 0.000 0.219 87 A C 2.190 179.783 177.584 0.016 0.000 1.164 87 A CA 1.199 53.246 52.037 0.018 0.000 0.644 87 A CB -0.320 18.690 19.000 0.016 0.000 0.805 87 A HN 0.479 nan 8.150 nan 0.000 0.449 88 Q N -0.766 119.043 119.800 0.015 0.000 2.291 88 Q HA -0.095 4.246 4.340 0.001 0.000 0.206 88 Q C 1.851 177.859 176.000 0.013 0.000 0.976 88 Q CA 0.897 56.708 55.803 0.013 0.000 0.875 88 Q CB -0.327 28.418 28.738 0.011 0.000 0.927 88 Q HN 0.680 nan 8.270 nan 0.000 0.450 89 G N 0.125 108.935 108.800 0.016 0.000 2.848 89 G HA2 0.297 4.258 3.960 0.001 0.000 0.208 89 G HA3 0.297 4.258 3.960 0.001 0.000 0.208 89 G C 0.542 175.451 174.900 0.015 0.000 1.152 89 G CA 0.292 45.402 45.100 0.017 0.000 0.789 89 G HN 0.496 nan 8.290 nan 0.000 0.531 90 G N 0.014 108.823 108.800 0.014 0.000 2.710 90 G HA2 0.023 3.983 3.960 0.001 0.000 0.668 90 G HA3 0.023 3.983 3.960 0.001 0.000 0.668 90 G C -2.516 172.391 174.900 0.013 0.000 1.320 90 G CA -0.447 44.661 45.100 0.013 0.000 0.860 90 G HN 0.357 nan 8.290 nan 0.000 0.538 91 P HA 0.490 nan 4.420 nan 0.000 0.276 91 P C -0.375 176.927 177.300 0.004 0.000 1.244 91 P CA -0.083 63.021 63.100 0.007 0.000 0.801 91 P CB 1.024 32.729 31.700 0.007 0.000 1.006 92 E N -0.587 119.611 120.200 -0.003 0.000 2.393 92 E HA 0.571 4.921 4.350 0.001 0.000 0.273 92 E C -1.147 175.439 176.600 -0.023 0.000 0.918 92 E CA -0.985 55.412 56.400 -0.005 0.000 0.773 92 E CB 1.781 31.485 29.700 0.007 0.000 1.275 92 E HN 0.336 nan 8.360 nan 0.000 0.451 93 E N 0.539 120.723 120.200 -0.026 0.000 2.202 93 E HA 0.207 4.558 4.350 0.001 0.000 0.272 93 E C 0.517 177.075 176.600 -0.069 0.000 0.951 93 E CA -0.543 55.829 56.400 -0.047 0.000 0.813 93 E CB 1.520 31.197 29.700 -0.038 0.000 1.151 93 E HN 0.532 nan 8.360 nan 0.000 0.398 94 R N 2.645 123.081 120.500 -0.108 0.000 2.073 94 R HA -0.028 4.313 4.340 0.001 0.000 0.234 94 R C 0.547 176.761 176.300 -0.143 0.000 1.134 94 R CA 1.625 57.632 56.100 -0.155 0.000 0.952 94 R CB -0.375 29.796 30.300 -0.215 0.000 0.850 94 R HN 0.784 nan 8.270 nan 0.000 0.433 95 G N -0.729 108.001 108.800 -0.117 0.000 2.660 95 G HA2 -0.203 3.758 3.960 0.001 0.000 0.247 95 G HA3 -0.203 3.758 3.960 0.001 0.000 0.247 95 G C -0.214 174.618 174.900 -0.113 0.000 1.328 95 G CA -0.122 44.911 45.100 -0.112 0.000 0.884 95 G HN 0.253 nan 8.290 nan 0.000 0.531 96 R N 0.150 120.596 120.500 -0.090 0.000 2.365 96 R HA 0.164 4.505 4.340 0.001 0.000 0.223 96 R C 1.309 177.598 176.300 -0.017 0.000 0.899 96 R CA 0.340 56.446 56.100 0.010 0.000 1.059 96 R CB -0.032 30.369 30.300 0.168 0.000 1.086 96 R HN 0.666 nan 8.270 nan 0.000 0.522 97 Q N 0.199 119.789 119.800 -0.349 0.000 2.500 97 Q HA 0.037 4.378 4.340 0.001 0.000 0.215 97 Q C 1.374 177.182 176.000 -0.320 0.000 1.062 97 Q CA 0.579 56.014 55.803 -0.614 0.000 0.996 97 Q CB 0.249 28.221 28.738 -1.277 0.000 1.239 97 Q HN 0.148 nan 8.270 nan 0.000 0.578 98 T N -2.695 111.767 114.554 -0.153 0.000 2.962 98 T HA -0.009 4.342 4.350 0.001 0.000 0.270 98 T C 0.829 175.644 174.700 0.190 0.000 1.088 98 T CA 0.697 62.869 62.100 0.120 0.000 1.127 98 T CB -0.326 68.730 68.868 0.314 0.000 0.883 98 T HN 0.442 nan 8.240 nan 0.000 0.493 99 F N -0.032 119.950 119.950 0.053 0.000 2.509 99 F HA 0.741 5.269 4.527 0.001 0.000 0.334 99 F C -0.222 175.572 175.800 -0.011 0.000 1.060 99 F CA -1.966 56.078 58.000 0.072 0.000 0.997 99 F CB 0.676 39.724 39.000 0.080 0.000 1.271 99 F HN -0.242 nan 8.300 nan 0.000 0.488 100 D N 1.392 121.903 120.400 0.186 0.000 2.249 100 D HA 0.244 4.885 4.640 0.001 0.000 0.246 100 D C 0.291 176.683 176.300 0.153 0.000 1.114 100 D CA -0.111 53.907 54.000 0.031 0.000 0.854 100 D CB 1.560 42.345 40.800 -0.026 0.000 1.132 100 D HN 0.707 nan 8.370 nan 0.000 0.461 101 L N 3.144 124.383 121.223 0.027 0.000 2.592 101 L HA 0.182 4.523 4.340 0.001 0.000 0.227 101 L C 1.389 178.321 176.870 0.103 0.000 1.127 101 L CA -0.090 54.788 54.840 0.064 0.000 0.884 101 L CB 0.062 42.105 42.059 -0.026 0.000 1.065 101 L HN 0.101 nan 8.230 nan 0.000 0.457 102 R N -0.786 119.794 120.500 0.133 0.000 2.774 102 R HA 0.150 4.491 4.340 0.001 0.000 0.269 102 R C 0.729 177.195 176.300 0.277 0.000 1.068 102 R CA -0.257 55.919 56.100 0.126 0.000 1.180 102 R CB 1.132 31.438 30.300 0.011 0.000 1.077 102 R HN -0.122 nan 8.270 nan 0.000 0.513 103 V N 0.424 120.451 119.914 0.188 0.000 2.950 103 V HA 0.005 4.126 4.120 0.001 0.000 0.231 103 V C 1.840 178.039 176.094 0.176 0.000 1.205 103 V CA 1.407 63.831 62.300 0.207 0.000 1.239 103 V CB -0.358 31.534 31.823 0.115 0.000 1.050 103 V HN 0.933 nan 8.190 nan 0.000 0.498 104 A N 1.141 124.017 122.820 0.093 0.000 1.908 104 A HA -0.184 4.136 4.320 0.001 0.000 0.218 104 A C 2.317 179.934 177.584 0.056 0.000 1.181 104 A CA 2.613 54.690 52.037 0.067 0.000 0.627 104 A CB -0.851 18.174 19.000 0.042 0.000 0.818 104 A HN 0.696 nan 8.150 nan 0.000 0.445 105 V N -2.389 117.524 119.914 -0.002 0.000 2.407 105 V HA -0.290 3.830 4.120 0.001 0.000 0.248 105 V C 2.136 178.212 176.094 -0.029 0.000 1.055 105 V CA 2.448 64.718 62.300 -0.049 0.000 1.049 105 V CB -1.722 30.022 31.823 -0.133 0.000 0.662 105 V HN 0.677 nan 8.190 nan 0.000 0.455 106 H N 0.418 119.571 119.070 0.138 0.000 2.321 106 H HA -0.045 4.511 4.556 0.001 0.000 0.300 106 H C 2.397 177.797 175.328 0.121 0.000 1.087 106 H CA 2.028 58.167 56.048 0.151 0.000 1.319 106 H CB -0.411 29.437 29.762 0.143 0.000 1.379 106 H HN 0.306 nan 8.280 nan 0.000 0.501 107 V N 1.017 121.057 119.914 0.209 0.000 2.287 107 V HA -0.257 3.863 4.120 0.001 0.000 0.248 107 V C 2.263 178.425 176.094 0.113 0.000 1.053 107 V CA 1.476 63.858 62.300 0.137 0.000 1.027 107 V CB -0.418 31.466 31.823 0.102 0.000 0.646 107 V HN 0.394 nan 8.190 nan 0.000 0.447 108 I N 0.340 120.971 120.570 0.102 0.000 2.208 108 I HA -0.237 3.934 4.170 0.001 0.000 0.245 108 I C 2.551 178.736 176.117 0.113 0.000 1.097 108 I CA 2.106 63.462 61.300 0.094 0.000 1.363 108 I CB -1.911 36.140 38.000 0.086 0.000 1.051 108 I HN 0.348 nan 8.210 nan 0.000 0.413 109 T N 1.410 116.042 114.554 0.130 0.000 2.720 109 T HA -0.138 4.213 4.350 0.001 0.000 0.268 109 T C 2.079 176.865 174.700 0.145 0.000 1.037 109 T CA 1.645 63.830 62.100 0.142 0.000 1.144 109 T CB -0.363 68.608 68.868 0.171 0.000 0.864 109 T HN 0.470 nan 8.240 nan 0.000 0.444 110 A N 1.208 124.117 122.820 0.148 0.000 1.877 110 A HA -0.044 4.277 4.320 0.001 0.000 0.216 110 A C 2.303 179.944 177.584 0.095 0.000 1.186 110 A CA 1.365 53.475 52.037 0.122 0.000 0.620 110 A CB -0.821 18.243 19.000 0.106 0.000 0.822 110 A HN 0.527 nan 8.150 nan 0.000 0.443 111 I N -0.648 119.973 120.570 0.085 0.000 2.226 111 I HA -0.256 3.915 4.170 0.001 0.000 0.245 111 I C 2.582 178.750 176.117 0.085 0.000 1.100 111 I CA 1.740 63.078 61.300 0.063 0.000 1.374 111 I CB -0.368 37.660 38.000 0.046 0.000 1.057 111 I HN 0.553 nan 8.210 nan 0.000 0.413 112 E N 0.683 120.960 120.200 0.129 0.000 2.038 112 E HA -0.283 4.068 4.350 0.001 0.000 0.195 112 E C 2.310 179.082 176.600 0.286 0.000 1.000 112 E CA 1.845 58.383 56.400 0.230 0.000 0.803 112 E CB -0.049 29.789 29.700 0.231 0.000 0.750 112 E HN 0.329 nan 8.360 nan 0.000 0.448 113 S N -0.297 115.509 115.700 0.176 0.000 2.359 113 S HA -0.189 4.282 4.470 0.001 0.000 0.224 113 S C 2.038 176.713 174.600 0.126 0.000 1.035 113 S CA 1.546 59.825 58.200 0.133 0.000 1.018 113 S CB -0.360 62.889 63.200 0.082 0.000 0.876 113 S HN 0.443 nan 8.310 nan 0.000 0.448 114 A N 1.060 123.937 122.820 0.095 0.000 1.898 114 A HA 0.118 4.438 4.320 0.001 0.000 0.216 114 A C 2.239 179.858 177.584 0.059 0.000 1.181 114 A CA 1.308 53.382 52.037 0.062 0.000 0.620 114 A CB -0.677 18.347 19.000 0.040 0.000 0.819 114 A HN 0.579 nan 8.150 nan 0.000 0.442 115 L N -2.404 118.847 121.223 0.048 0.000 2.109 115 L HA -0.069 4.272 4.340 0.001 0.000 0.207 115 L C 2.380 179.245 176.870 -0.008 0.000 1.086 115 L CA 0.899 55.723 54.840 -0.027 0.000 0.760 115 L CB -0.438 41.547 42.059 -0.124 0.000 0.910 115 L HN 0.351 nan 8.230 nan 0.000 0.437 116 F N 0.435 120.413 119.950 0.047 0.000 2.186 116 F HA -0.215 4.312 4.527 0.001 0.000 0.299 116 F C 2.354 178.178 175.800 0.040 0.000 1.090 116 F CA 1.515 59.560 58.000 0.075 0.000 1.307 116 F CB -0.273 38.743 39.000 0.027 0.000 1.019 116 F HN 0.138 nan 8.300 nan 0.000 0.489 117 D N 0.338 120.844 120.400 0.176 0.000 2.097 117 D HA -0.168 4.473 4.640 0.001 0.000 0.195 117 D C 2.269 178.619 176.300 0.084 0.000 0.989 117 D CA 1.373 55.419 54.000 0.078 0.000 0.827 117 D CB -0.217 40.609 40.800 0.044 0.000 0.966 117 D HN 0.225 nan 8.370 nan 0.000 0.456 118 L N -0.577 120.701 121.223 0.092 0.000 2.072 118 L HA -0.109 4.232 4.340 0.001 0.000 0.205 118 L C 2.384 179.357 176.870 0.171 0.000 1.079 118 L CA 0.509 55.408 54.840 0.099 0.000 0.752 118 L CB -0.392 41.707 42.059 0.067 0.000 0.906 118 L HN 0.057 nan 8.230 nan 0.000 0.436 119 F N 1.161 121.080 119.950 -0.051 0.000 2.146 119 F HA -0.073 4.455 4.527 0.001 0.000 0.298 119 F C 2.230 178.026 175.800 -0.007 0.000 1.096 119 F CA 1.174 59.118 58.000 -0.094 0.000 1.275 119 F CB -0.992 37.858 39.000 -0.250 0.000 1.008 119 F HN -0.021 nan 8.300 nan 0.000 0.480 120 G N -0.298 108.518 108.800 0.027 0.000 2.476 120 G HA2 -0.312 3.649 3.960 0.001 0.000 0.218 120 G HA3 -0.312 3.649 3.960 0.001 0.000 0.218 120 G C 1.575 176.472 174.900 -0.006 0.000 1.164 120 G CA 0.911 45.984 45.100 -0.046 0.000 0.768 120 G HN 0.451 nan 8.290 nan 0.000 0.560 121 Q N 0.120 119.949 119.800 0.048 0.000 2.061 121 Q HA -0.033 4.307 4.340 0.001 0.000 0.204 121 Q C 3.038 179.086 176.000 0.079 0.000 0.984 121 Q CA 1.345 57.183 55.803 0.058 0.000 0.846 121 Q CB -0.309 28.468 28.738 0.065 0.000 0.902 121 Q HN 0.487 nan 8.270 nan 0.000 0.421 122 A N 0.575 123.481 122.820 0.143 0.000 1.940 122 A HA -0.151 4.170 4.320 0.001 0.000 0.219 122 A C 1.918 179.614 177.584 0.187 0.000 1.176 122 A CA 1.198 53.370 52.037 0.226 0.000 0.631 122 A CB -0.470 18.818 19.000 0.480 0.000 0.814 122 A HN 0.312 nan 8.150 nan 0.000 0.446 123 L N -1.488 119.782 121.223 0.078 0.000 2.509 123 L HA 0.200 4.541 4.340 0.001 0.000 0.222 123 L C 1.618 178.483 176.870 -0.008 0.000 1.123 123 L CA 0.467 55.309 54.840 0.004 0.000 0.856 123 L CB -0.229 41.704 42.059 -0.211 0.000 0.985 123 L HN 0.554 nan 8.230 nan 0.000 0.456 124 G N 0.839 109.640 108.800 0.002 0.000 2.221 124 G HA2 -0.301 3.660 3.960 0.001 0.000 0.265 124 G HA3 -0.301 3.660 3.960 0.001 0.000 0.265 124 G C 0.045 174.939 174.900 -0.011 0.000 1.041 124 G CA 0.207 45.308 45.100 0.002 0.000 0.807 124 G HN 0.279 nan 8.290 nan 0.000 0.502 125 M N -0.034 119.548 119.600 -0.030 0.000 2.393 125 M HA 0.383 4.864 4.480 0.001 0.000 0.316 125 M C -2.526 173.770 176.300 -0.007 0.000 1.087 125 M CA -2.208 53.072 55.300 -0.032 0.000 0.937 125 M CB 2.412 34.964 32.600 -0.080 0.000 1.668 125 M HN -0.148 nan 8.290 nan 0.000 0.438 126 P HA 0.032 nan 4.420 nan 0.000 0.269 126 P C 0.734 178.065 177.300 0.051 0.000 1.209 126 P CA -0.288 62.866 63.100 0.090 0.000 0.776 126 P CB 0.639 32.433 31.700 0.157 0.000 0.876 127 V N 2.727 122.613 119.914 -0.046 0.000 2.287 127 V HA -0.324 3.796 4.120 0.001 0.000 0.248 127 V C 2.416 178.518 176.094 0.014 0.000 1.053 127 V CA 2.780 65.022 62.300 -0.096 0.000 1.027 127 V CB -1.662 29.949 31.823 -0.353 0.000 0.646 127 V HN 0.686 nan 8.190 nan 0.000 0.447 128 A N 0.236 123.216 122.820 0.267 0.000 1.927 128 A HA -0.340 3.981 4.320 0.001 0.000 0.220 128 A C 1.847 179.438 177.584 0.011 0.000 1.185 128 A CA 2.527 54.636 52.037 0.120 0.000 0.639 128 A CB -0.824 18.235 19.000 0.099 0.000 0.820 128 A HN 0.594 nan 8.150 nan 0.000 0.451 129 D N -0.668 119.748 120.400 0.026 0.000 2.310 129 D HA 0.006 4.646 4.640 0.001 0.000 0.212 129 D C 1.460 177.748 176.300 -0.020 0.000 0.965 129 D CA 0.678 54.675 54.000 -0.005 0.000 0.879 129 D CB -0.096 40.703 40.800 -0.002 0.000 0.921 129 D HN 0.505 nan 8.370 nan 0.000 0.510 130 L N -0.454 120.757 121.223 -0.019 0.000 2.590 130 L HA 0.212 4.553 4.340 0.001 0.000 0.227 130 L C 0.412 177.264 176.870 -0.030 0.000 1.099 130 L CA -0.029 54.816 54.840 0.009 0.000 0.872 130 L CB 0.299 42.425 42.059 0.111 0.000 1.088 130 L HN -0.067 nan 8.230 nan 0.000 0.479 131 L N -0.030 121.122 121.223 -0.118 0.000 2.334 131 L HA 0.574 4.915 4.340 0.001 0.000 0.277 131 L C 0.993 177.770 176.870 -0.156 0.000 1.075 131 L CA -0.112 54.611 54.840 -0.196 0.000 0.804 131 L CB 1.080 42.989 42.059 -0.251 0.000 1.174 131 L HN 0.208 nan 8.230 nan 0.000 0.438 132 G N 2.272 110.972 108.800 -0.166 0.000 2.697 132 G HA2 -0.297 3.664 3.960 0.001 0.000 0.240 132 G HA3 -0.297 3.664 3.960 0.001 0.000 0.240 132 G C 0.220 174.970 174.900 -0.251 0.000 1.346 132 G CA 0.252 45.231 45.100 -0.200 0.000 0.887 132 G HN 0.711 nan 8.290 nan 0.000 0.569 133 Q N -1.134 118.388 119.800 -0.465 0.000 2.331 133 Q HA 0.144 4.485 4.340 0.001 0.000 0.203 133 Q C 1.724 177.373 176.000 -0.585 0.000 0.944 133 Q CA 1.573 56.992 55.803 -0.640 0.000 0.892 133 Q CB 0.209 28.299 28.738 -1.080 0.000 0.983 133 Q HN 0.655 nan 8.270 nan 0.000 0.482 134 Y N -1.078 119.174 120.300 -0.079 0.000 2.430 134 Y HA 0.323 4.874 4.550 0.001 0.000 0.248 134 Y C 1.338 177.192 175.900 -0.077 0.000 1.108 134 Y CA 0.125 58.178 58.100 -0.078 0.000 1.264 134 Y CB 0.302 38.706 38.460 -0.093 0.000 1.172 134 Y HN 0.102 nan 8.280 nan 0.000 0.520 135 G N 1.479 110.282 108.800 0.006 0.000 2.569 135 G HA2 -0.361 3.599 3.960 0.001 0.000 0.259 135 G HA3 -0.361 3.599 3.960 0.001 0.000 0.259 135 G C -0.040 174.848 174.900 -0.020 0.000 1.263 135 G CA -0.135 44.955 45.100 -0.017 0.000 0.928 135 G HN 0.395 nan 8.290 nan 0.000 0.572 136 R N 0.792 121.278 120.500 -0.024 0.000 2.458 136 R HA 0.212 4.552 4.340 0.001 0.000 0.303 136 R C 1.028 177.302 176.300 -0.043 0.000 1.013 136 R CA 0.445 56.521 56.100 -0.040 0.000 1.026 136 R CB 0.189 30.469 30.300 -0.033 0.000 0.948 136 R HN 0.528 nan 8.270 nan 0.000 0.417 137 Q N 3.908 123.669 119.800 -0.065 0.000 2.280 137 Q HA 0.092 4.433 4.340 0.001 0.000 0.228 137 Q C -0.086 175.870 176.000 -0.072 0.000 0.857 137 Q CA 0.568 56.328 55.803 -0.071 0.000 0.939 137 Q CB 0.784 29.467 28.738 -0.092 0.000 1.114 137 Q HN 0.679 nan 8.270 nan 0.000 0.514 138 R N -1.275 119.180 120.500 -0.075 0.000 2.710 138 R HA 0.410 4.751 4.340 0.001 0.000 0.270 138 R C -0.917 175.338 176.300 -0.076 0.000 1.021 138 R CA -0.590 55.469 56.100 -0.069 0.000 0.889 138 R CB 0.613 30.873 30.300 -0.065 0.000 1.243 138 R HN -0.331 nan 8.270 nan 0.000 0.464 139 D N 0.157 120.514 120.400 -0.071 0.000 2.379 139 D HA 0.147 4.788 4.640 0.001 0.000 0.208 139 D C -0.619 175.625 176.300 -0.094 0.000 1.065 139 D CA 0.622 54.572 54.000 -0.084 0.000 0.848 139 D CB 0.907 41.665 40.800 -0.071 0.000 0.949 139 D HN 0.434 nan 8.370 nan 0.000 0.509 140 E N 0.141 120.296 120.200 -0.076 0.000 2.314 140 E HA 0.441 4.791 4.350 0.001 0.000 0.272 140 E C -1.285 175.288 176.600 -0.044 0.000 0.884 140 E CA -0.620 55.739 56.400 -0.067 0.000 0.753 140 E CB 3.418 33.085 29.700 -0.055 0.000 1.213 140 E HN -0.270 nan 8.360 nan 0.000 0.432 141 V N 2.850 122.747 119.914 -0.029 0.000 2.444 141 V HA 0.186 4.307 4.120 0.001 0.000 0.294 141 V C -0.351 175.760 176.094 0.029 0.000 1.022 141 V CA -0.753 61.550 62.300 0.005 0.000 0.850 141 V CB 1.582 33.416 31.823 0.017 0.000 0.992 141 V HN 0.632 nan 8.190 nan 0.000 0.426 142 E N 3.146 123.368 120.200 0.037 0.000 2.360 142 E HA 0.537 4.888 4.350 0.001 0.000 0.269 142 E C -0.073 176.565 176.600 0.064 0.000 1.022 142 E CA -0.080 56.348 56.400 0.046 0.000 0.887 142 E CB 1.324 31.046 29.700 0.036 0.000 0.990 142 E HN 0.794 nan 8.360 nan 0.000 0.426 143 A N 2.842 125.721 122.820 0.097 0.000 2.365 143 A HA 0.537 4.857 4.320 0.001 0.000 0.318 143 A C -0.736 176.874 177.584 0.044 0.000 1.091 143 A CA -0.856 51.245 52.037 0.105 0.000 0.763 143 A CB 0.628 19.750 19.000 0.204 0.000 1.248 143 A HN 0.456 nan 8.150 nan 0.000 0.442 144 L N 0.170 121.274 121.223 -0.198 0.000 2.400 144 L HA 0.883 5.224 4.340 0.001 0.000 0.264 144 L C 0.537 176.673 176.870 -1.223 0.000 1.061 144 L CA -0.591 53.923 54.840 -0.542 0.000 0.799 144 L CB 0.374 42.216 42.059 -0.362 0.000 1.240 144 L HN 0.640 nan 8.230 nan 0.000 0.461 145 G N -0.124 107.693 108.800 -1.639 0.000 2.448 145 G HA2 0.189 4.150 3.960 0.001 0.000 0.309 145 G HA3 0.189 4.150 3.960 0.001 0.000 0.309 145 G C -0.858 173.863 174.900 -0.298 0.000 1.027 145 G CA -0.255 44.003 45.100 -1.403 0.000 1.104 145 G HN 0.701 nan 8.290 nan 0.000 0.428 146 Y N 4.471 124.605 120.300 -0.277 0.000 2.620 146 Y HA 0.239 4.790 4.550 0.001 0.000 0.352 146 Y C 0.449 176.539 175.900 0.317 0.000 1.140 146 Y CA -0.902 57.202 58.100 0.008 0.000 1.529 146 Y CB 0.222 38.714 38.460 0.054 0.000 1.321 146 Y HN 0.217 nan 8.280 nan 0.000 0.501 147 L N 6.082 127.585 121.223 0.466 0.000 2.350 147 L HA 0.357 4.698 4.340 0.001 0.000 0.275 147 L C -0.812 176.223 176.870 0.276 0.000 1.099 147 L CA -0.203 54.919 54.840 0.470 0.000 0.808 147 L CB 0.812 43.021 42.059 0.249 0.000 1.149 147 L HN 0.513 nan 8.230 nan 0.000 0.442 148 F N 1.392 121.476 119.950 0.224 0.000 2.576 148 F HA 0.463 4.990 4.527 0.001 0.000 0.313 148 F C -0.058 175.699 175.800 -0.071 0.000 1.078 148 F CA -0.718 57.235 58.000 -0.077 0.000 0.921 148 F CB 1.949 40.675 39.000 -0.457 0.000 1.232 148 F HN 0.200 nan 8.300 nan 0.000 0.459 149 L N 3.784 125.038 121.223 0.052 0.000 2.426 149 L HA 0.302 4.643 4.340 0.001 0.000 0.271 149 L C -0.707 176.094 176.870 -0.115 0.000 1.169 149 L CA -0.001 54.826 54.840 -0.022 0.000 0.836 149 L CB 0.321 42.351 42.059 -0.048 0.000 1.112 149 L HN 0.390 nan 8.230 nan 0.000 0.465 150 L N 2.267 123.384 121.223 -0.177 0.000 2.381 150 L HA 0.541 4.881 4.340 0.001 0.000 0.274 150 L C 0.531 177.124 176.870 -0.462 0.000 0.988 150 L CA -0.640 54.016 54.840 -0.306 0.000 0.824 150 L CB 1.696 43.633 42.059 -0.202 0.000 1.263 150 L HN 0.654 nan 8.230 nan 0.000 0.410 151 G N 0.343 108.596 108.800 -0.911 0.000 2.569 151 G HA2 0.108 4.069 3.960 0.001 0.000 0.249 151 G HA3 0.108 4.069 3.960 0.001 0.000 0.249 151 G C -0.577 173.918 174.900 -0.675 0.000 1.216 151 G CA -0.280 44.065 45.100 -1.258 0.000 0.845 151 G HN 0.620 nan 8.290 nan 0.000 0.568 152 D N 1.279 121.459 120.400 -0.367 0.000 2.346 152 D HA 0.184 4.825 4.640 0.001 0.000 0.260 152 D C -1.208 175.124 176.300 0.054 0.000 1.252 152 D CA -1.971 51.963 54.000 -0.111 0.000 0.895 152 D CB 1.573 42.332 40.800 -0.069 0.000 1.097 152 D HN -0.045 nan 8.370 nan 0.000 0.489 153 P HA -0.079 nan 4.420 nan 0.000 0.220 153 P C 0.541 177.869 177.300 0.047 0.000 1.148 153 P CA 0.651 63.784 63.100 0.055 0.000 0.803 153 P CB 0.345 32.062 31.700 0.029 0.000 0.782 154 D N -0.668 119.752 120.400 0.034 0.000 2.350 154 D HA -0.082 4.558 4.640 0.001 0.000 0.216 154 D C 1.364 177.686 176.300 0.035 0.000 0.968 154 D CA 0.859 54.873 54.000 0.025 0.000 0.894 154 D CB -0.262 40.549 40.800 0.018 0.000 0.909 154 D HN 0.255 nan 8.370 nan 0.000 0.520 155 K N -0.147 120.288 120.400 0.058 0.000 2.444 155 K HA 0.030 4.350 4.320 0.001 0.000 0.193 155 K C 0.939 177.595 176.600 0.093 0.000 1.024 155 K CA 0.246 56.589 56.287 0.092 0.000 1.077 155 K CB 0.489 33.060 32.500 0.117 0.000 0.833 155 K HN 0.165 nan 8.250 nan 0.000 0.517 156 T N -1.564 112.960 114.554 -0.051 0.000 2.927 156 T HA 0.178 4.529 4.350 0.001 0.000 0.286 156 T C -0.013 174.557 174.700 -0.216 0.000 1.040 156 T CA -0.898 60.968 62.100 -0.390 0.000 1.010 156 T CB 1.683 70.084 68.868 -0.777 0.000 1.177 156 T HN 0.006 nan 8.240 nan 0.000 0.546 157 D N 0.326 120.569 120.400 -0.261 0.000 2.463 157 D HA 0.223 4.863 4.640 0.001 0.000 0.224 157 D C 0.279 176.499 176.300 -0.134 0.000 1.174 157 D CA -0.394 53.552 54.000 -0.089 0.000 0.829 157 D CB -0.455 40.370 40.800 0.041 0.000 0.993 157 D HN 0.469 nan 8.370 nan 0.000 0.497 158 L N 0.997 122.059 121.223 -0.269 0.000 2.375 158 L HA 0.347 4.688 4.340 0.001 0.000 0.271 158 L C -1.770 174.954 176.870 -0.243 0.000 1.107 158 L CA -1.941 52.721 54.840 -0.297 0.000 0.806 158 L CB 1.166 42.891 42.059 -0.558 0.000 1.146 158 L HN -0.163 nan 8.230 nan 0.000 0.447 159 P HA 0.089 nan 4.420 nan 0.000 0.220 159 P C -0.911 176.256 177.300 -0.221 0.000 1.806 159 P CA -0.288 62.725 63.100 -0.146 0.000 0.976 159 P CB -0.404 31.263 31.700 -0.055 0.000 1.952 160 Y N 2.689 122.907 120.300 -0.137 0.000 2.597 160 Y HA 0.095 4.646 4.550 0.001 0.000 0.336 160 Y C -1.123 174.719 175.900 -0.097 0.000 1.216 160 Y CA -1.928 56.100 58.100 -0.120 0.000 1.463 160 Y CB -0.554 37.828 38.460 -0.130 0.000 1.303 160 Y HN 0.242 nan 8.280 nan 0.000 0.576 161 P HA 0.098 nan 4.420 nan 0.000 0.269 161 P C -0.517 176.604 177.300 -0.300 0.000 1.209 161 P CA 0.014 63.018 63.100 -0.159 0.000 0.776 161 P CB 0.853 32.445 31.700 -0.180 0.000 0.876 162 R N 0.934 121.182 120.500 -0.420 0.000 2.892 162 R HA 0.464 4.804 4.340 0.001 0.000 0.265 162 R C -0.587 175.447 176.300 -0.444 0.000 1.025 162 R CA -1.345 54.570 56.100 -0.308 0.000 0.982 162 R CB 0.424 30.649 30.300 -0.125 0.000 1.185 162 R HN 0.191 nan 8.270 nan 0.000 0.484 163 V N 1.248 121.073 119.914 -0.147 0.000 2.540 163 V HA 0.332 4.453 4.120 0.001 0.000 0.297 163 V C 0.345 176.397 176.094 -0.069 0.000 1.024 163 V CA 0.134 62.415 62.300 -0.032 0.000 1.105 163 V CB 0.488 32.352 31.823 0.067 0.000 0.938 163 V HN 0.829 nan 8.190 nan 0.000 0.482 164 A N 4.089 126.872 122.820 -0.062 0.000 2.497 164 A HA 0.592 4.913 4.320 0.001 0.000 0.280 164 A C -0.107 177.472 177.584 -0.009 0.000 1.065 164 A CA -0.331 51.682 52.037 -0.040 0.000 0.781 164 A CB 0.712 19.673 19.000 -0.065 0.000 1.289 164 A HN 1.014 nan 8.150 nan 0.000 0.415 165 D N 2.132 122.536 120.400 0.006 0.000 2.828 165 D HA -0.098 4.543 4.640 0.001 0.000 0.241 165 D C -1.807 174.513 176.300 0.033 0.000 1.142 165 D CA 0.948 54.958 54.000 0.018 0.000 0.755 165 D CB -0.539 40.269 40.800 0.013 0.000 1.014 165 D HN 0.462 nan 8.370 nan 0.000 0.420 166 P HA 0.088 nan 4.420 nan 0.000 0.271 166 P C 1.276 178.607 177.300 0.052 0.000 1.220 166 P CA -0.536 62.601 63.100 0.062 0.000 0.768 166 P CB 1.502 33.240 31.700 0.064 0.000 0.848 167 V N 1.800 121.748 119.914 0.057 0.000 2.427 167 V HA -0.132 3.989 4.120 0.001 0.000 0.248 167 V C 1.106 177.224 176.094 0.041 0.000 1.051 167 V CA 2.410 64.737 62.300 0.045 0.000 1.048 167 V CB -0.973 30.877 31.823 0.044 0.000 0.666 167 V HN 0.781 nan 8.190 nan 0.000 0.456 168 D N -3.170 117.264 120.400 0.056 0.000 2.825 168 D HA 0.435 5.076 4.640 0.001 0.000 0.327 168 D C 0.740 177.089 176.300 0.082 0.000 1.277 168 D CA 0.069 54.105 54.000 0.060 0.000 0.950 168 D CB 0.930 41.759 40.800 0.048 0.000 1.438 168 D HN -0.056 nan 8.370 nan 0.000 0.526 169 A N -0.360 122.519 122.820 0.098 0.000 1.972 169 A HA -0.109 4.212 4.320 0.001 0.000 0.219 169 A C 1.760 179.435 177.584 0.152 0.000 1.169 169 A CA 1.375 53.480 52.037 0.113 0.000 0.635 169 A CB -1.252 17.823 19.000 0.125 0.000 0.810 169 A HN 0.644 nan 8.150 nan 0.000 0.446 170 W N 0.890 122.175 121.300 -0.026 0.000 2.363 170 W HA -0.166 4.494 4.660 0.001 0.000 0.296 170 W C 0.433 176.896 176.519 -0.094 0.000 1.212 170 W CA 1.599 58.909 57.345 -0.059 0.000 1.260 170 W CB -0.043 29.374 29.460 -0.073 0.000 1.131 170 W HN 0.350 nan 8.180 nan 0.000 0.530 171 D N 0.212 120.581 120.400 -0.053 0.000 2.378 171 D HA -0.085 4.555 4.640 0.001 0.000 0.227 171 D C 1.633 177.932 176.300 -0.002 0.000 1.012 171 D CA 1.033 54.991 54.000 -0.070 0.000 0.905 171 D CB 0.006 40.861 40.800 0.093 0.000 0.895 171 D HN 0.465 nan 8.370 nan 0.000 0.532 172 E N -0.327 119.844 120.200 -0.049 0.000 2.083 172 E HA -0.048 4.302 4.350 0.001 0.000 0.193 172 E C 2.308 178.851 176.600 -0.094 0.000 0.950 172 E CA 0.405 56.803 56.400 -0.002 0.000 0.849 172 E CB 0.175 29.890 29.700 0.025 0.000 0.827 172 E HN 0.136 nan 8.360 nan 0.000 0.465 173 V N 1.424 121.252 119.914 -0.144 0.000 2.490 173 V HA -0.214 3.907 4.120 0.001 0.000 0.250 173 V C 2.307 178.219 176.094 -0.304 0.000 1.061 173 V CA 2.026 64.242 62.300 -0.140 0.000 1.064 173 V CB -1.040 30.776 31.823 -0.012 0.000 0.670 173 V HN 0.214 nan 8.190 nan 0.000 0.461 174 R N -0.668 119.391 120.500 -0.734 0.000 2.285 174 R HA -0.039 4.302 4.340 0.001 0.000 0.213 174 R C 1.235 177.186 176.300 -0.582 0.000 1.068 174 R CA 1.517 57.090 56.100 -0.880 0.000 1.004 174 R CB -0.524 28.755 30.300 -1.701 0.000 0.873 174 R HN 0.563 nan 8.270 nan 0.000 0.467 175 Y N 0.051 120.258 120.300 -0.155 0.000 2.612 175 Y HA 0.463 5.014 4.550 0.001 0.000 0.250 175 Y C 0.048 175.904 175.900 -0.074 0.000 1.175 175 Y CA -0.822 57.224 58.100 -0.090 0.000 1.205 175 Y CB 0.509 38.924 38.460 -0.075 0.000 1.201 175 Y HN -0.100 nan 8.280 nan 0.000 0.532 176 R N 0.158 120.670 120.500 0.020 0.000 2.888 176 R HA 0.303 4.643 4.340 0.001 0.000 0.266 176 R C -0.436 175.833 176.300 -0.051 0.000 1.020 176 R CA -1.130 54.967 56.100 -0.005 0.000 0.963 176 R CB 1.517 31.817 30.300 -0.000 0.000 1.197 176 R HN 0.105 nan 8.270 nan 0.000 0.481 177 E N 0.699 120.859 120.200 -0.066 0.000 2.502 177 E HA 0.113 4.464 4.350 0.001 0.000 0.261 177 E C -1.236 175.320 176.600 -0.074 0.000 0.974 177 E CA 0.251 56.588 56.400 -0.104 0.000 0.936 177 E CB 0.578 30.221 29.700 -0.094 0.000 0.926 177 E HN 0.568 nan 8.360 nan 0.000 0.459 178 A N 6.074 128.840 122.820 -0.090 0.000 2.651 178 A HA 0.357 4.678 4.320 0.001 0.000 0.290 178 A C -0.334 177.216 177.584 -0.057 0.000 1.185 178 A CA -0.601 51.411 52.037 -0.041 0.000 0.746 178 A CB 0.893 19.900 19.000 0.013 0.000 1.213 178 A HN 0.657 nan 8.150 nan 0.000 0.429 179 M N 1.246 120.817 119.600 -0.049 0.000 2.241 179 M HA 0.129 4.610 4.480 0.001 0.000 0.374 179 M C 0.354 176.638 176.300 -0.027 0.000 0.922 179 M CA 0.641 55.908 55.300 -0.055 0.000 1.031 179 M CB 0.422 32.974 32.600 -0.080 0.000 1.864 179 M HN 0.844 nan 8.290 nan 0.000 0.636 180 T N -3.369 111.176 114.554 -0.014 0.000 2.916 180 T HA 0.562 4.912 4.350 0.001 0.000 0.292 180 T C -2.444 172.258 174.700 0.004 0.000 1.064 180 T CA -1.470 60.627 62.100 -0.005 0.000 1.011 180 T CB 2.564 71.428 68.868 -0.007 0.000 1.152 180 T HN -0.266 nan 8.240 nan 0.000 0.510 181 P HA -0.112 nan 4.420 nan 0.000 0.216 181 P C 1.419 178.724 177.300 0.008 0.000 1.153 181 P CA 1.030 64.136 63.100 0.010 0.000 0.858 181 P CB 0.157 31.862 31.700 0.009 0.000 0.789 182 E N -0.251 119.952 120.200 0.005 0.000 2.077 182 E HA -0.201 4.150 4.350 0.001 0.000 0.193 182 E C 1.883 178.492 176.600 0.015 0.000 0.989 182 E CA 1.348 57.752 56.400 0.006 0.000 0.800 182 E CB -0.444 29.257 29.700 0.002 0.000 0.746 182 E HN 0.069 nan 8.360 nan 0.000 0.452 183 A N 0.629 123.459 122.820 0.016 0.000 1.933 183 A HA -0.112 4.208 4.320 0.001 0.000 0.218 183 A C 2.402 180.015 177.584 0.048 0.000 1.175 183 A CA 1.321 53.374 52.037 0.028 0.000 0.628 183 A CB -0.560 18.449 19.000 0.014 0.000 0.814 183 A HN 0.225 nan 8.150 nan 0.000 0.444 184 V N -0.218 119.720 119.914 0.040 0.000 2.407 184 V HA -0.229 3.891 4.120 0.001 0.000 0.248 184 V C 3.018 179.131 176.094 0.033 0.000 1.055 184 V CA 1.864 64.193 62.300 0.049 0.000 1.049 184 V CB -1.106 30.735 31.823 0.031 0.000 0.662 184 V HN 0.608 nan 8.190 nan 0.000 0.455 185 A N 0.254 123.086 122.820 0.020 0.000 1.930 185 A HA -0.188 4.133 4.320 0.001 0.000 0.217 185 A C 2.057 179.677 177.584 0.059 0.000 1.175 185 A CA 1.763 53.809 52.037 0.016 0.000 0.627 185 A CB -0.581 18.418 19.000 -0.002 0.000 0.815 185 A HN 0.578 nan 8.150 nan 0.000 0.443 186 N N 0.273 119.014 118.700 0.067 0.000 2.188 186 N HA -0.078 4.662 4.740 0.001 0.000 0.184 186 N C 1.662 177.271 175.510 0.166 0.000 1.018 186 N CA 1.085 54.196 53.050 0.101 0.000 0.858 186 N CB -0.477 38.055 38.487 0.075 0.000 0.989 186 N HN 0.500 nan 8.380 nan 0.000 0.426 187 L N 0.717 122.046 121.223 0.176 0.000 2.012 187 L HA -0.183 4.158 4.340 0.001 0.000 0.210 187 L C 2.402 179.443 176.870 0.285 0.000 1.073 187 L CA 1.391 56.411 54.840 0.300 0.000 0.748 187 L CB -0.546 41.694 42.059 0.303 0.000 0.891 187 L HN 0.137 nan 8.230 nan 0.000 0.431 188 A N -0.026 122.854 122.820 0.100 0.000 1.877 188 A HA -0.216 4.104 4.320 0.001 0.000 0.216 188 A C 2.336 180.065 177.584 0.241 0.000 1.186 188 A CA 1.543 53.529 52.037 -0.086 0.000 0.620 188 A CB -0.497 18.166 19.000 -0.563 0.000 0.822 188 A HN 0.320 nan 8.150 nan 0.000 0.443 189 R N -0.568 120.160 120.500 0.380 0.000 2.091 189 R HA -0.111 4.230 4.340 0.001 0.000 0.238 189 R C 2.417 178.955 176.300 0.397 0.000 1.136 189 R CA 1.317 57.705 56.100 0.480 0.000 0.959 189 R CB -0.431 30.020 30.300 0.251 0.000 0.856 189 R HN 0.525 nan 8.270 nan 0.000 0.437 190 A N 0.853 123.864 122.820 0.318 0.000 1.929 190 A HA 0.001 4.322 4.320 0.001 0.000 0.216 190 A C 2.306 180.012 177.584 0.204 0.000 1.176 190 A CA 1.356 53.576 52.037 0.305 0.000 0.628 190 A CB -0.455 18.792 19.000 0.412 0.000 0.816 190 A HN 0.382 nan 8.150 nan 0.000 0.444 191 A N -1.313 121.581 122.820 0.123 0.000 1.898 191 A HA -0.088 4.233 4.320 0.001 0.000 0.216 191 A C 2.123 179.769 177.584 0.102 0.000 1.181 191 A CA 1.608 53.554 52.037 -0.152 0.000 0.620 191 A CB -0.806 18.137 19.000 -0.095 0.000 0.819 191 A HN 0.710 nan 8.150 nan 0.000 0.442 192 Y N 1.136 121.534 120.300 0.162 0.000 2.145 192 Y HA -0.217 4.333 4.550 0.001 0.000 0.286 192 Y C 1.853 177.762 175.900 0.016 0.000 1.145 192 Y CA 2.024 60.191 58.100 0.112 0.000 1.148 192 Y CB -0.271 38.338 38.460 0.249 0.000 0.981 192 Y HN 0.331 nan 8.280 nan 0.000 0.507 193 D N -0.176 120.220 120.400 -0.007 0.000 2.149 193 D HA -0.178 4.463 4.640 0.001 0.000 0.198 193 D C 2.254 178.381 176.300 -0.288 0.000 0.990 193 D CA 1.319 55.239 54.000 -0.133 0.000 0.839 193 D CB -0.243 40.585 40.800 0.046 0.000 0.948 193 D HN 0.392 nan 8.370 nan 0.000 0.460 194 R N -1.084 119.195 120.500 -0.368 0.000 2.066 194 R HA -0.054 4.286 4.340 0.001 0.000 0.224 194 R C 1.514 177.347 176.300 -0.779 0.000 1.122 194 R CA 0.823 56.549 56.100 -0.622 0.000 0.974 194 R CB 0.083 29.843 30.300 -0.900 0.000 0.871 194 R HN 0.210 nan 8.270 nan 0.000 0.435 195 Y N -1.363 118.605 120.300 -0.554 0.000 2.462 195 Y HA 0.343 4.894 4.550 0.001 0.000 0.253 195 Y C 1.247 176.681 175.900 -0.777 0.000 1.095 195 Y CA 0.355 58.008 58.100 -0.744 0.000 1.283 195 Y CB 0.897 38.614 38.460 -1.237 0.000 1.138 195 Y HN 0.338 nan 8.280 nan 0.000 0.522 196 G N 0.450 108.887 108.800 -0.605 0.000 2.176 196 G HA2 -0.306 3.655 3.960 0.001 0.000 0.252 196 G HA3 -0.306 3.655 3.960 0.001 0.000 0.252 196 G C -0.256 174.523 174.900 -0.201 0.000 1.024 196 G CA -0.405 44.375 45.100 -0.532 0.000 0.755 196 G HN 0.124 nan 8.290 nan 0.000 0.507 197 F N 0.343 120.243 119.950 -0.085 0.000 2.623 197 F HA 0.236 4.764 4.527 0.001 0.000 0.383 197 F C 1.803 177.430 175.800 -0.287 0.000 1.077 197 F CA 0.653 58.474 58.000 -0.298 0.000 1.268 197 F CB 0.613 39.174 39.000 -0.733 0.000 1.053 197 F HN 0.087 nan 8.300 nan 0.000 0.571 198 K N 0.785 121.159 120.400 -0.044 0.000 2.262 198 K HA 0.040 4.361 4.320 0.001 0.000 0.200 198 K C -0.298 176.187 176.600 -0.192 0.000 1.049 198 K CA 0.615 56.864 56.287 -0.063 0.000 0.979 198 K CB 0.196 32.704 32.500 0.012 0.000 0.773 198 K HN 0.531 nan 8.250 nan 0.000 0.474 199 D N -0.826 119.364 120.400 -0.351 0.000 2.433 199 D HA 0.389 5.029 4.640 0.001 0.000 0.236 199 D C -0.667 175.213 176.300 -0.700 0.000 1.026 199 D CA -0.371 53.434 54.000 -0.326 0.000 0.884 199 D CB 1.531 42.243 40.800 -0.146 0.000 1.384 199 D HN -0.207 nan 8.370 nan 0.000 0.477 200 F N -0.020 119.826 119.950 -0.173 0.000 2.629 200 F HA 0.458 4.986 4.527 0.001 0.000 0.316 200 F C 0.180 175.855 175.800 -0.208 0.000 1.081 200 F CA -0.934 56.928 58.000 -0.230 0.000 0.954 200 F CB 2.440 41.334 39.000 -0.178 0.000 1.337 200 F HN -0.054 nan 8.300 nan 0.000 0.474 201 K N 1.480 121.884 120.400 0.006 0.000 2.469 201 K HA 0.722 5.042 4.320 0.001 0.000 0.254 201 K C -2.285 174.311 176.600 -0.007 0.000 0.939 201 K CA -0.828 55.397 56.287 -0.103 0.000 0.812 201 K CB 2.600 34.934 32.500 -0.276 0.000 1.301 201 K HN 0.617 nan 8.250 nan 0.000 0.433 202 L N 3.231 124.429 121.223 -0.040 0.000 2.333 202 L HA 0.459 4.799 4.340 0.001 0.000 0.280 202 L C -0.937 175.876 176.870 -0.096 0.000 1.004 202 L CA -0.449 54.371 54.840 -0.034 0.000 0.820 202 L CB 1.332 43.379 42.059 -0.021 0.000 1.247 202 L HN 0.540 nan 8.230 nan 0.000 0.416 203 K N 3.398 123.654 120.400 -0.240 0.000 2.402 203 K HA 0.541 4.862 4.320 0.001 0.000 0.285 203 K C 0.174 176.671 176.600 -0.172 0.000 1.054 203 K CA 0.614 56.703 56.287 -0.331 0.000 1.001 203 K CB 0.456 32.384 32.500 -0.954 0.000 0.946 203 K HN 0.810 nan 8.250 nan 0.000 0.473 204 G N 1.745 110.480 108.800 -0.108 0.000 2.736 204 G HA2 0.476 4.436 3.960 0.001 0.000 0.229 204 G HA3 0.476 4.436 3.960 0.001 0.000 0.229 204 G C 0.297 175.183 174.900 -0.023 0.000 1.380 204 G CA -0.487 44.586 45.100 -0.044 0.000 1.040 204 G HN 1.081 nan 8.290 nan 0.000 0.568 205 G N -2.541 106.266 108.800 0.010 0.000 2.160 205 G HA2 -0.133 3.827 3.960 0.001 0.000 0.244 205 G HA3 -0.133 3.827 3.960 0.001 0.000 0.244 205 G C 0.521 175.502 174.900 0.134 0.000 1.022 205 G CA 0.749 45.877 45.100 0.047 0.000 0.741 205 G HN 1.158 nan 8.290 nan 0.000 0.508 206 V N -0.831 119.164 119.914 0.134 0.000 3.054 206 V HA 0.434 4.555 4.120 0.001 0.000 0.227 206 V C 1.612 177.778 176.094 0.120 0.000 1.252 206 V CA 1.184 63.553 62.300 0.114 0.000 1.279 206 V CB -0.049 31.806 31.823 0.052 0.000 1.118 206 V HN 0.306 nan 8.190 nan 0.000 0.504 207 L N -0.168 121.126 121.223 0.117 0.000 2.397 207 L HA 0.510 4.851 4.340 0.001 0.000 0.266 207 L C 0.391 177.339 176.870 0.129 0.000 1.040 207 L CA -0.839 54.060 54.840 0.099 0.000 0.800 207 L CB 0.447 42.544 42.059 0.064 0.000 1.324 207 L HN 0.095 nan 8.230 nan 0.000 0.469 208 R N 0.159 120.700 120.500 0.069 0.000 2.640 208 R HA -0.004 4.336 4.340 0.001 0.000 0.270 208 R C 1.205 177.500 176.300 -0.008 0.000 1.024 208 R CA 0.511 56.623 56.100 0.018 0.000 1.085 208 R CB 0.236 30.523 30.300 -0.022 0.000 0.963 208 R HN 0.886 nan 8.270 nan 0.000 0.426 209 G N 2.657 111.352 108.800 -0.176 0.000 2.513 209 G HA2 -0.342 3.618 3.960 0.001 0.000 0.219 209 G HA3 -0.342 3.618 3.960 0.001 0.000 0.219 209 G C 0.925 175.684 174.900 -0.235 0.000 1.160 209 G CA 0.968 45.810 45.100 -0.429 0.000 0.767 209 G HN 0.634 nan 8.290 nan 0.000 0.571 210 E N 0.515 120.598 120.200 -0.194 0.000 2.110 210 E HA -0.052 4.298 4.350 0.001 0.000 0.193 210 E C 2.418 178.992 176.600 -0.043 0.000 0.988 210 E CA 1.257 57.591 56.400 -0.110 0.000 0.804 210 E CB -0.140 29.503 29.700 -0.094 0.000 0.745 210 E HN 0.625 nan 8.360 nan 0.000 0.458 211 E N 0.510 120.697 120.200 -0.022 0.000 2.107 211 E HA -0.158 4.193 4.350 0.001 0.000 0.191 211 E C 1.900 178.519 176.600 0.032 0.000 0.982 211 E CA 0.864 57.268 56.400 0.006 0.000 0.809 211 E CB -0.013 29.694 29.700 0.010 0.000 0.756 211 E HN 0.340 nan 8.360 nan 0.000 0.459 212 E N 0.594 120.834 120.200 0.068 0.000 2.107 212 E HA -0.119 4.231 4.350 0.001 0.000 0.191 212 E C 2.049 178.707 176.600 0.096 0.000 0.982 212 E CA 0.696 57.160 56.400 0.107 0.000 0.809 212 E CB -0.038 29.788 29.700 0.209 0.000 0.756 212 E HN 0.191 nan 8.360 nan 0.000 0.459 213 A N 1.663 124.531 122.820 0.079 0.000 1.933 213 A HA -0.227 4.094 4.320 0.001 0.000 0.218 213 A C 1.692 179.296 177.584 0.034 0.000 1.175 213 A CA 1.613 53.682 52.037 0.055 0.000 0.628 213 A CB -0.297 18.711 19.000 0.013 0.000 0.814 213 A HN 0.099 nan 8.150 nan 0.000 0.444 214 D N -0.455 119.959 120.400 0.023 0.000 2.178 214 D HA -0.109 4.532 4.640 0.001 0.000 0.202 214 D C 2.011 178.327 176.300 0.026 0.000 0.974 214 D CA 1.279 55.291 54.000 0.020 0.000 0.841 214 D CB -0.445 40.361 40.800 0.010 0.000 0.953 214 D HN 0.480 nan 8.370 nan 0.000 0.478 215 C N 0.904 120.222 119.300 0.030 0.000 2.429 215 C HA -0.106 4.355 4.460 0.001 0.000 0.277 215 C C 2.696 177.704 174.990 0.031 0.000 1.262 215 C CA -0.119 58.916 59.018 0.027 0.000 1.733 215 C CB -0.764 26.993 27.740 0.027 0.000 2.010 215 C HN 0.338 nan 8.230 nan 0.000 0.483 216 I N 1.404 121.997 120.570 0.039 0.000 2.151 216 I HA -0.200 3.971 4.170 0.001 0.000 0.243 216 I C 2.618 178.778 176.117 0.072 0.000 1.080 216 I CA 1.698 63.025 61.300 0.046 0.000 1.339 216 I CB -1.372 36.652 38.000 0.039 0.000 1.039 216 I HN 0.436 nan 8.210 nan 0.000 0.409 217 R N 0.794 121.331 120.500 0.062 0.000 2.094 217 R HA -0.176 4.165 4.340 0.001 0.000 0.239 217 R C 2.411 178.765 176.300 0.089 0.000 1.137 217 R CA 1.839 57.988 56.100 0.083 0.000 0.943 217 R CB -0.590 29.741 30.300 0.052 0.000 0.850 217 R HN 0.405 nan 8.270 nan 0.000 0.433 218 A N 1.216 124.065 122.820 0.049 0.000 1.908 218 A HA -0.142 4.178 4.320 0.001 0.000 0.218 218 A C 2.227 179.823 177.584 0.020 0.000 1.181 218 A CA 1.186 53.237 52.037 0.023 0.000 0.627 218 A CB -0.573 18.433 19.000 0.011 0.000 0.818 218 A HN 0.203 nan 8.150 nan 0.000 0.445 219 L N -1.615 119.630 121.223 0.036 0.000 2.012 219 L HA -0.239 4.102 4.340 0.001 0.000 0.210 219 L C 2.692 179.623 176.870 0.101 0.000 1.073 219 L CA 1.991 56.853 54.840 0.036 0.000 0.748 219 L CB -0.595 41.469 42.059 0.009 0.000 0.891 219 L HN 0.683 nan 8.230 nan 0.000 0.431 220 H N 0.292 119.385 119.070 0.037 0.000 2.353 220 H HA -0.231 4.326 4.556 0.001 0.000 0.300 220 H C 2.088 177.430 175.328 0.022 0.000 1.090 220 H CA 2.013 58.092 56.048 0.051 0.000 1.327 220 H CB 0.118 29.905 29.762 0.042 0.000 1.383 220 H HN 0.455 nan 8.280 nan 0.000 0.508 221 E N 0.070 120.216 120.200 -0.089 0.000 2.208 221 E HA -0.042 4.309 4.350 0.001 0.000 0.193 221 E C 2.104 178.573 176.600 -0.217 0.000 0.988 221 E CA 1.140 57.437 56.400 -0.171 0.000 0.828 221 E CB -0.443 29.217 29.700 -0.066 0.000 0.763 221 E HN 0.473 nan 8.360 nan 0.000 0.478 222 A N -0.028 122.673 122.820 -0.199 0.000 1.898 222 A HA 0.146 4.466 4.320 0.001 0.000 0.214 222 A C 0.475 177.633 177.584 -0.711 0.000 1.183 222 A CA 0.663 52.465 52.037 -0.393 0.000 0.622 222 A CB -0.174 18.663 19.000 -0.271 0.000 0.824 222 A HN 0.276 nan 8.150 nan 0.000 0.444 223 F N -1.254 118.612 119.950 -0.140 0.000 2.691 223 F HA 0.372 4.900 4.527 0.001 0.000 0.371 223 F C -2.182 173.548 175.800 -0.117 0.000 1.159 223 F CA -1.847 56.093 58.000 -0.099 0.000 1.174 223 F CB 1.722 40.738 39.000 0.026 0.000 1.419 223 F HN 0.009 nan 8.300 nan 0.000 0.514 224 P HA -0.116 nan 4.420 nan 0.000 0.222 224 P C 1.067 178.387 177.300 0.033 0.000 1.147 224 P CA 1.268 64.203 63.100 -0.276 0.000 0.790 224 P CB 0.408 31.953 31.700 -0.258 0.000 0.780 225 E N -0.984 119.271 120.200 0.092 0.000 2.472 225 E HA 0.195 4.545 4.350 0.001 0.000 0.196 225 E C 0.903 177.592 176.600 0.148 0.000 1.033 225 E CA -0.114 56.357 56.400 0.119 0.000 0.886 225 E CB -0.282 29.470 29.700 0.087 0.000 0.944 225 E HN 0.111 nan 8.360 nan 0.000 0.492 226 A N 1.610 124.551 122.820 0.201 0.000 2.483 226 A HA 0.176 4.497 4.320 0.001 0.000 0.238 226 A C 0.298 177.978 177.584 0.160 0.000 1.070 226 A CA -0.084 52.069 52.037 0.193 0.000 0.770 226 A CB 0.174 19.366 19.000 0.319 0.000 1.008 226 A HN 0.014 nan 8.150 nan 0.000 0.497 227 R N 0.671 121.231 120.500 0.101 0.000 2.298 227 R HA 0.471 4.812 4.340 0.001 0.000 0.310 227 R C -0.873 175.455 176.300 0.047 0.000 1.068 227 R CA 0.084 56.227 56.100 0.072 0.000 0.957 227 R CB 0.390 30.728 30.300 0.064 0.000 1.003 227 R HN 0.632 nan 8.270 nan 0.000 0.454 228 L N 1.800 123.026 121.223 0.004 0.000 2.341 228 L HA 0.818 5.159 4.340 0.001 0.000 0.267 228 L C -0.310 176.407 176.870 -0.254 0.000 1.009 228 L CA -0.975 53.836 54.840 -0.048 0.000 0.819 228 L CB 2.085 44.160 42.059 0.027 0.000 1.323 228 L HN 0.659 nan 8.230 nan 0.000 0.425 229 A N 2.017 124.637 122.820 -0.334 0.000 2.556 229 A HA 0.866 5.187 4.320 0.001 0.000 0.294 229 A C -1.879 175.543 177.584 -0.269 0.000 1.091 229 A CA -0.452 51.258 52.037 -0.545 0.000 0.704 229 A CB 2.122 20.514 19.000 -1.014 0.000 1.300 229 A HN 0.496 nan 8.150 nan 0.000 0.406 230 L N 0.823 121.920 121.223 -0.209 0.000 2.386 230 L HA 0.784 5.125 4.340 0.001 0.000 0.271 230 L C -1.420 175.361 176.870 -0.149 0.000 0.993 230 L CA -0.127 54.641 54.840 -0.120 0.000 0.819 230 L CB 2.057 44.098 42.059 -0.030 0.000 1.294 230 L HN 0.702 nan 8.230 nan 0.000 0.414 231 D N 5.757 126.070 120.400 -0.145 0.000 2.408 231 D HA 0.459 5.100 4.640 0.001 0.000 0.261 231 D C -2.187 173.984 176.300 -0.215 0.000 1.190 231 D CA -1.831 52.079 54.000 -0.150 0.000 0.910 231 D CB 1.685 42.457 40.800 -0.047 0.000 1.097 231 D HN 0.342 nan 8.370 nan 0.000 0.522 232 P HA 0.038 nan 4.420 nan 0.000 0.249 232 P C -0.360 176.724 177.300 -0.361 0.000 1.241 232 P CA -0.034 62.723 63.100 -0.571 0.000 0.781 232 P CB 0.065 30.883 31.700 -1.470 0.000 1.088 233 N N 0.315 118.889 118.700 -0.210 0.000 2.716 233 N HA -0.199 4.542 4.740 0.001 0.000 0.250 233 N C 1.036 176.478 175.510 -0.114 0.000 1.033 233 N CA 1.443 54.439 53.050 -0.090 0.000 0.727 233 N CB -1.737 36.769 38.487 0.031 0.000 0.950 233 N HN 0.441 nan 8.380 nan 0.000 0.541 234 G N -1.772 106.905 108.800 -0.206 0.000 2.148 234 G HA2 -0.324 3.637 3.960 0.001 0.000 0.254 234 G HA3 -0.324 3.637 3.960 0.001 0.000 0.254 234 G C 1.104 175.926 174.900 -0.130 0.000 0.981 234 G CA 1.028 46.035 45.100 -0.155 0.000 0.670 234 G HN 0.905 nan 8.290 nan 0.000 0.528 235 A N -0.864 121.833 122.820 -0.205 0.000 1.969 235 A HA 0.289 4.610 4.320 0.001 0.000 0.218 235 A C 1.166 178.807 177.584 0.095 0.000 1.169 235 A CA 1.254 53.245 52.037 -0.078 0.000 0.635 235 A CB -0.215 18.745 19.000 -0.067 0.000 0.810 235 A HN 0.623 nan 8.150 nan 0.000 0.445 236 W N 1.196 122.483 121.300 -0.022 0.000 2.316 236 W HA 0.415 5.075 4.660 0.001 0.000 0.321 236 W C 0.096 176.603 176.519 -0.020 0.000 1.203 236 W CA -1.487 55.846 57.345 -0.020 0.000 1.214 236 W CB 0.354 29.800 29.460 -0.023 0.000 1.169 236 W HN 0.010 nan 8.180 nan 0.000 0.561 237 K N 2.419 122.952 120.400 0.221 0.000 2.355 237 K HA -0.010 4.311 4.320 0.001 0.000 0.270 237 K C 1.070 177.753 176.600 0.139 0.000 1.003 237 K CA -0.450 55.913 56.287 0.127 0.000 0.957 237 K CB 0.859 33.407 32.500 0.080 0.000 0.939 237 K HN 0.373 nan 8.250 nan 0.000 0.482 238 L N 2.618 123.899 121.223 0.098 0.000 1.997 238 L HA -0.286 4.055 4.340 0.001 0.000 0.216 238 L C 1.506 178.454 176.870 0.130 0.000 1.074 238 L CA 2.097 57.006 54.840 0.115 0.000 0.763 238 L CB -0.449 41.637 42.059 0.044 0.000 0.890 238 L HN 0.606 nan 8.230 nan 0.000 0.434 239 D N -0.774 119.667 120.400 0.068 0.000 2.144 239 D HA -0.221 4.420 4.640 0.001 0.000 0.199 239 D C 2.095 178.418 176.300 0.038 0.000 0.984 239 D CA 1.466 55.492 54.000 0.044 0.000 0.834 239 D CB 0.000 40.809 40.800 0.014 0.000 0.955 239 D HN 0.560 nan 8.370 nan 0.000 0.465 240 E N 1.010 121.229 120.200 0.033 0.000 2.051 240 E HA -0.119 4.231 4.350 0.001 0.000 0.192 240 E C 1.928 178.508 176.600 -0.034 0.000 0.991 240 E CA 1.478 57.853 56.400 -0.041 0.000 0.799 240 E CB -0.274 29.390 29.700 -0.061 0.000 0.748 240 E HN 0.146 nan 8.360 nan 0.000 0.449 241 A N 0.134 123.061 122.820 0.179 0.000 1.883 241 A HA -0.178 4.143 4.320 0.001 0.000 0.217 241 A C 2.512 180.327 177.584 0.384 0.000 1.186 241 A CA 1.861 54.128 52.037 0.384 0.000 0.624 241 A CB -0.890 18.346 19.000 0.394 0.000 0.822 241 A HN 0.220 nan 8.150 nan 0.000 0.444 242 V N -0.109 119.990 119.914 0.308 0.000 2.358 242 V HA -0.232 3.889 4.120 0.001 0.000 0.246 242 V C 2.638 178.766 176.094 0.056 0.000 1.047 242 V CA 2.206 64.607 62.300 0.168 0.000 1.035 242 V CB -0.817 31.037 31.823 0.053 0.000 0.658 242 V HN 0.660 nan 8.190 nan 0.000 0.452 243 R N -0.032 120.476 120.500 0.013 0.000 2.073 243 R HA -0.143 4.197 4.340 0.001 0.000 0.234 243 R C 2.250 178.509 176.300 -0.068 0.000 1.134 243 R CA 1.877 57.953 56.100 -0.040 0.000 0.952 243 R CB -0.360 29.901 30.300 -0.064 0.000 0.850 243 R HN 0.379 nan 8.270 nan 0.000 0.433 244 V N 1.175 121.012 119.914 -0.127 0.000 2.343 244 V HA -0.226 3.895 4.120 0.001 0.000 0.247 244 V C 2.222 178.286 176.094 -0.048 0.000 1.051 244 V CA 1.650 63.834 62.300 -0.193 0.000 1.036 244 V CB -0.257 31.238 31.823 -0.548 0.000 0.654 244 V HN 0.356 nan 8.190 nan 0.000 0.451 245 L N -1.157 120.108 121.223 0.070 0.000 2.354 245 L HA 0.056 4.397 4.340 0.001 0.000 0.212 245 L C 2.548 179.448 176.870 0.049 0.000 1.091 245 L CA 0.439 55.361 54.840 0.137 0.000 0.828 245 L CB -0.488 41.776 42.059 0.341 0.000 0.973 245 L HN 0.249 nan 8.230 nan 0.000 0.461 246 E N 0.816 121.019 120.200 0.004 0.000 2.097 246 E HA -0.216 4.135 4.350 0.001 0.000 0.196 246 E C -0.303 176.267 176.600 -0.050 0.000 1.000 246 E CA 1.571 57.938 56.400 -0.056 0.000 0.804 246 E CB -1.241 28.424 29.700 -0.059 0.000 0.740 246 E HN 0.434 nan 8.360 nan 0.000 0.454 247 P HA -0.103 nan 4.420 nan 0.000 0.220 247 P C 1.428 178.724 177.300 -0.006 0.000 1.148 247 P CA 1.106 64.200 63.100 -0.011 0.000 0.803 247 P CB -0.144 31.549 31.700 -0.012 0.000 0.782 248 I N -4.170 116.391 120.570 -0.015 0.000 3.936 248 I HA 0.259 4.430 4.170 0.001 0.000 0.330 248 I C 1.541 177.630 176.117 -0.047 0.000 1.509 248 I CA -0.368 60.922 61.300 -0.017 0.000 1.126 248 I CB -0.248 37.753 38.000 0.002 0.000 1.115 248 I HN -0.213 nan 8.210 nan 0.000 0.424 249 K N 0.361 120.694 120.400 -0.112 0.000 2.283 249 K HA -0.122 4.198 4.320 0.001 0.000 0.202 249 K C 1.193 177.655 176.600 -0.230 0.000 1.048 249 K CA 1.228 57.411 56.287 -0.175 0.000 0.948 249 K CB -0.476 31.875 32.500 -0.248 0.000 0.742 249 K HN 0.450 nan 8.250 nan 0.000 0.458 250 H N 0.833 119.880 119.070 -0.038 0.000 2.529 250 H HA 0.091 4.647 4.556 0.001 0.000 0.277 250 H C 1.860 177.120 175.328 -0.114 0.000 0.999 250 H CA 0.816 56.829 56.048 -0.058 0.000 1.256 250 H CB 0.177 29.904 29.762 -0.057 0.000 1.402 250 H HN 0.236 nan 8.280 nan 0.000 0.566 251 L N 0.295 121.476 121.223 -0.070 0.000 2.446 251 L HA 0.125 4.465 4.340 0.001 0.000 0.219 251 L C 0.569 177.396 176.870 -0.071 0.000 1.116 251 L CA 0.232 54.958 54.840 -0.190 0.000 0.844 251 L CB 0.141 42.061 42.059 -0.231 0.000 0.970 251 L HN -0.008 nan 8.230 nan 0.000 0.457 252 L N -0.941 120.259 121.223 -0.038 0.000 2.325 252 L HA 0.245 4.586 4.340 0.001 0.000 0.279 252 L C 1.230 178.096 176.870 -0.007 0.000 1.054 252 L CA -0.173 54.645 54.840 -0.037 0.000 0.804 252 L CB 1.920 43.961 42.059 -0.029 0.000 1.200 252 L HN -0.139 nan 8.230 nan 0.000 0.436 253 S N 0.938 116.621 115.700 -0.028 0.000 2.425 253 S HA 0.069 4.539 4.470 0.001 0.000 0.225 253 S C -0.516 174.202 174.600 0.196 0.000 1.024 253 S CA 0.618 58.865 58.200 0.079 0.000 0.951 253 S CB 0.114 63.386 63.200 0.120 0.000 0.796 253 S HN 0.594 nan 8.310 nan 0.000 0.498 254 Y N -2.215 118.106 120.300 0.034 0.000 2.641 254 Y HA 0.736 5.286 4.550 0.001 0.000 0.333 254 Y C -1.077 174.846 175.900 0.039 0.000 1.174 254 Y CA -1.899 56.227 58.100 0.043 0.000 1.057 254 Y CB 0.536 39.009 38.460 0.021 0.000 1.322 254 Y HN -0.115 nan 8.280 nan 0.000 0.457 255 A N 1.575 124.516 122.820 0.201 0.000 2.317 255 A HA 0.593 4.913 4.320 0.001 0.000 0.327 255 A C -0.872 176.763 177.584 0.085 0.000 1.178 255 A CA -0.652 51.421 52.037 0.060 0.000 0.817 255 A CB 1.186 20.208 19.000 0.037 0.000 1.189 255 A HN 0.771 nan 8.150 nan 0.000 0.489 256 E N 2.523 122.729 120.200 0.010 0.000 2.151 256 E HA 0.268 4.618 4.350 0.001 0.000 0.275 256 E C -0.945 175.589 176.600 -0.110 0.000 0.936 256 E CA -0.547 55.873 56.400 0.034 0.000 0.777 256 E CB 0.489 30.261 29.700 0.121 0.000 1.108 256 E HN 0.683 nan 8.360 nan 0.000 0.401 257 D N 5.165 125.497 120.400 -0.113 0.000 2.740 257 D HA -0.147 4.494 4.640 0.001 0.000 0.231 257 D C -1.674 174.439 176.300 -0.312 0.000 1.194 257 D CA 0.390 54.288 54.000 -0.171 0.000 0.673 257 D CB -0.314 40.416 40.800 -0.116 0.000 0.995 257 D HN 0.523 nan 8.370 nan 0.000 0.411 258 P HA -0.110 nan 4.420 nan 0.000 0.221 258 P C 0.940 178.038 177.300 -0.336 0.000 1.150 258 P CA 1.044 63.828 63.100 -0.526 0.000 0.800 258 P CB 0.161 31.346 31.700 -0.857 0.000 0.787 259 C N -3.480 115.662 119.300 -0.264 0.000 3.308 259 C HA 0.976 5.437 4.460 0.001 0.000 0.360 259 C C 0.575 175.519 174.990 -0.078 0.000 1.695 259 C CA -0.195 58.764 59.018 -0.098 0.000 1.366 259 C CB 1.364 29.097 27.740 -0.011 0.000 2.121 259 C HN 0.374 nan 8.230 nan 0.000 0.442 260 G N -0.737 108.050 108.800 -0.020 0.000 2.604 260 G HA2 0.438 4.399 3.960 0.001 0.000 0.242 260 G HA3 0.438 4.399 3.960 0.001 0.000 0.242 260 G C -1.662 173.257 174.900 0.031 0.000 1.208 260 G CA -0.384 44.714 45.100 -0.004 0.000 0.912 260 G HN 1.073 nan 8.290 nan 0.000 0.502 261 Q N 0.603 120.422 119.800 0.032 0.000 2.263 261 Q HA 0.344 4.685 4.340 0.001 0.000 0.289 261 Q C -0.572 175.465 176.000 0.060 0.000 1.061 261 Q CA 0.738 56.571 55.803 0.051 0.000 0.927 261 Q CB 0.310 29.064 28.738 0.026 0.000 1.154 261 Q HN 0.531 nan 8.270 nan 0.000 0.378 262 E N 3.129 123.391 120.200 0.104 0.000 2.506 262 E HA 0.275 4.625 4.350 0.001 0.000 0.308 262 E C -0.626 176.083 176.600 0.182 0.000 0.931 262 E CA 0.054 56.524 56.400 0.116 0.000 0.800 262 E CB 0.657 30.421 29.700 0.108 0.000 1.292 262 E HN 0.927 nan 8.360 nan 0.000 0.401 263 G N 2.991 111.858 108.800 0.111 0.000 2.395 263 G HA2 -0.133 3.828 3.960 0.001 0.000 0.292 263 G HA3 -0.133 3.828 3.960 0.001 0.000 0.292 263 G C 0.956 175.874 174.900 0.030 0.000 0.953 263 G CA 1.174 46.331 45.100 0.094 0.000 1.207 263 G HN 1.666 nan 8.290 nan 0.000 0.503 264 G N -1.698 107.070 108.800 -0.052 0.000 2.284 264 G HA2 -0.219 3.741 3.960 0.001 0.000 0.247 264 G HA3 -0.219 3.741 3.960 0.001 0.000 0.247 264 G C 0.400 175.119 174.900 -0.302 0.000 1.012 264 G CA 0.433 45.404 45.100 -0.216 0.000 0.618 264 G HN 1.172 nan 8.290 nan 0.000 0.521 265 F N 2.583 122.526 119.950 -0.011 0.000 2.384 265 F HA 0.610 5.138 4.527 0.001 0.000 0.338 265 F C 1.271 177.063 175.800 -0.014 0.000 1.103 265 F CA -0.088 57.906 58.000 -0.010 0.000 1.157 265 F CB 1.542 40.544 39.000 0.004 0.000 1.167 265 F HN 0.281 nan 8.300 nan 0.000 0.529 266 S N 1.171 116.970 115.700 0.164 0.000 2.645 266 S HA 0.374 4.845 4.470 0.001 0.000 0.266 266 S C 1.322 175.982 174.600 0.100 0.000 1.258 266 S CA -0.317 57.934 58.200 0.085 0.000 0.990 266 S CB 1.199 64.418 63.200 0.032 0.000 0.967 266 S HN 0.839 nan 8.310 nan 0.000 0.556 267 G N 0.634 109.469 108.800 0.059 0.000 2.422 267 G HA2 -0.169 3.792 3.960 0.001 0.000 0.218 267 G HA3 -0.169 3.792 3.960 0.001 0.000 0.218 267 G C 1.536 176.469 174.900 0.057 0.000 1.146 267 G CA 0.424 45.551 45.100 0.045 0.000 0.769 267 G HN 0.777 nan 8.290 nan 0.000 0.547 268 R N 0.328 120.870 120.500 0.070 0.000 2.096 268 R HA 0.000 4.341 4.340 0.001 0.000 0.235 268 R C 2.564 178.918 176.300 0.091 0.000 1.127 268 R CA 1.464 57.617 56.100 0.088 0.000 0.968 268 R CB -0.218 30.150 30.300 0.114 0.000 0.861 268 R HN 0.470 nan 8.270 nan 0.000 0.440 269 E N -0.398 119.864 120.200 0.103 0.000 2.047 269 E HA -0.169 4.182 4.350 0.001 0.000 0.191 269 E C 2.098 178.722 176.600 0.040 0.000 0.987 269 E CA 1.827 58.293 56.400 0.111 0.000 0.799 269 E CB -0.152 29.692 29.700 0.239 0.000 0.752 269 E HN 0.457 nan 8.360 nan 0.000 0.449 270 T N -0.519 114.053 114.554 0.030 0.000 2.867 270 T HA -0.101 4.250 4.350 0.001 0.000 0.268 270 T C 1.923 176.659 174.700 0.061 0.000 1.057 270 T CA 0.871 62.966 62.100 -0.009 0.000 1.136 270 T CB -0.059 68.810 68.868 0.002 0.000 0.874 270 T HN -0.019 nan 8.240 nan 0.000 0.466 271 M N 1.060 120.704 119.600 0.073 0.000 2.254 271 M HA 0.183 4.663 4.480 0.001 0.000 0.265 271 M C 2.941 179.334 176.300 0.155 0.000 1.066 271 M CA 1.394 56.761 55.300 0.111 0.000 1.123 271 M CB -1.006 31.630 32.600 0.061 0.000 1.388 271 M HN 0.521 nan 8.290 nan 0.000 0.425 272 A N 0.208 123.091 122.820 0.104 0.000 1.902 272 A HA -0.196 4.124 4.320 0.001 0.000 0.217 272 A C 2.022 179.649 177.584 0.072 0.000 1.181 272 A CA 2.018 54.107 52.037 0.087 0.000 0.623 272 A CB -0.624 18.418 19.000 0.070 0.000 0.818 272 A HN 0.415 nan 8.150 nan 0.000 0.443 273 E N -0.913 119.319 120.200 0.053 0.000 2.110 273 E HA -0.154 4.197 4.350 0.001 0.000 0.193 273 E C 1.604 178.236 176.600 0.053 0.000 0.988 273 E CA 1.272 57.684 56.400 0.019 0.000 0.804 273 E CB -0.426 29.249 29.700 -0.042 0.000 0.745 273 E HN 0.579 nan 8.360 nan 0.000 0.458 274 F N 1.264 121.205 119.950 -0.015 0.000 2.095 274 F HA -0.180 4.348 4.527 0.001 0.000 0.298 274 F C 1.896 177.700 175.800 0.007 0.000 1.104 274 F CA 1.732 59.734 58.000 0.003 0.000 1.232 274 F CB -0.067 38.947 39.000 0.023 0.000 0.987 274 F HN -0.085 nan 8.300 nan 0.000 0.475 275 K N 0.253 120.721 120.400 0.113 0.000 2.063 275 K HA -0.219 4.102 4.320 0.001 0.000 0.208 275 K C 2.088 178.640 176.600 -0.080 0.000 1.048 275 K CA 2.003 58.300 56.287 0.018 0.000 0.928 275 K CB -0.200 32.358 32.500 0.097 0.000 0.713 275 K HN 0.307 nan 8.250 nan 0.000 0.442 276 K N 0.294 120.661 120.400 -0.055 0.000 2.057 276 K HA -0.104 4.217 4.320 0.001 0.000 0.206 276 K C 2.168 178.705 176.600 -0.105 0.000 1.050 276 K CA 1.142 57.394 56.287 -0.060 0.000 0.935 276 K CB -0.045 32.435 32.500 -0.033 0.000 0.715 276 K HN 0.085 nan 8.250 nan 0.000 0.439 277 R N 0.129 120.538 120.500 -0.152 0.000 2.153 277 R HA -0.051 4.290 4.340 0.001 0.000 0.218 277 R C 2.231 178.388 176.300 -0.239 0.000 1.072 277 R CA 1.676 57.673 56.100 -0.173 0.000 0.990 277 R CB 0.018 30.224 30.300 -0.157 0.000 0.889 277 R HN 0.362 nan 8.270 nan 0.000 0.452 278 T N -5.167 109.167 114.554 -0.367 0.000 3.038 278 T HA 0.222 4.573 4.350 0.001 0.000 0.244 278 T C 1.540 176.094 174.700 -0.243 0.000 1.016 278 T CA 0.533 62.397 62.100 -0.393 0.000 1.098 278 T CB 0.803 69.220 68.868 -0.751 0.000 0.954 278 T HN 0.274 nan 8.240 nan 0.000 0.469 279 G N 1.232 109.919 108.800 -0.188 0.000 2.179 279 G HA2 -0.186 3.775 3.960 0.001 0.000 0.260 279 G HA3 -0.186 3.775 3.960 0.001 0.000 0.260 279 G C -0.176 174.691 174.900 -0.055 0.000 0.977 279 G CA 0.199 45.244 45.100 -0.092 0.000 0.641 279 G HN 0.732 nan 8.290 nan 0.000 0.533 280 L N 2.068 123.246 121.223 -0.075 0.000 2.305 280 L HA 0.670 5.011 4.340 0.001 0.000 0.281 280 L C -1.742 175.212 176.870 0.140 0.000 1.085 280 L CA -2.260 52.604 54.840 0.039 0.000 0.813 280 L CB 0.694 42.802 42.059 0.081 0.000 1.157 280 L HN -0.092 nan 8.230 nan 0.000 0.436 281 P HA 0.257 nan 4.420 nan 0.000 0.270 281 P C -1.172 176.263 177.300 0.226 0.000 1.223 281 P CA -0.272 62.925 63.100 0.162 0.000 0.785 281 P CB 0.555 32.339 31.700 0.139 0.000 0.923 282 T N -1.622 113.032 114.554 0.167 0.000 2.924 282 T HA 0.850 5.200 4.350 0.001 0.000 0.291 282 T C -0.806 173.924 174.700 0.050 0.000 1.045 282 T CA -0.888 61.301 62.100 0.149 0.000 1.015 282 T CB 1.856 70.802 68.868 0.129 0.000 1.103 282 T HN 0.420 nan 8.240 nan 0.000 0.496 283 A N 0.747 123.600 122.820 0.054 0.000 2.479 283 A HA 0.930 5.251 4.320 0.001 0.000 0.296 283 A C -0.253 177.334 177.584 0.006 0.000 1.121 283 A CA -0.913 51.100 52.037 -0.040 0.000 0.743 283 A CB 1.955 20.873 19.000 -0.137 0.000 1.323 283 A HN 1.113 nan 8.150 nan 0.000 0.415 284 T N 0.070 114.625 114.554 0.000 0.000 2.923 284 T HA 0.454 4.805 4.350 0.001 0.000 0.311 284 T C -0.701 174.035 174.700 0.061 0.000 1.183 284 T CA -0.202 61.913 62.100 0.025 0.000 1.020 284 T CB 0.941 69.825 68.868 0.026 0.000 1.165 284 T HN 0.918 nan 8.240 nan 0.000 0.482 285 N N 3.608 122.340 118.700 0.053 0.000 2.238 285 N HA 0.174 4.914 4.740 0.001 0.000 0.235 285 N C 0.615 176.073 175.510 -0.086 0.000 1.209 285 N CA -0.218 52.858 53.050 0.043 0.000 0.879 285 N CB 0.356 38.814 38.487 -0.049 0.000 1.136 285 N HN 0.560 nan 8.380 nan 0.000 0.517 286 M N -0.221 119.348 119.600 -0.053 0.000 2.777 286 M HA 0.262 4.743 4.480 0.001 0.000 0.244 286 M C 0.745 177.005 176.300 -0.066 0.000 1.457 286 M CA 0.491 55.737 55.300 -0.090 0.000 1.174 286 M CB 0.327 32.890 32.600 -0.061 0.000 1.321 286 M HN 0.111 nan 8.290 nan 0.000 0.546 287 I N -2.516 118.047 120.570 -0.012 0.000 4.009 287 I HA 0.533 4.704 4.170 0.001 0.000 0.331 287 I C 0.331 176.487 176.117 0.064 0.000 1.462 287 I CA -0.287 61.022 61.300 0.016 0.000 1.117 287 I CB 0.553 38.568 38.000 0.025 0.000 1.091 287 I HN 0.002 nan 8.210 nan 0.000 0.410 288 A N 0.838 123.713 122.820 0.090 0.000 3.370 288 A HA 0.565 4.886 4.320 0.001 0.000 0.295 288 A C 0.757 178.511 177.584 0.284 0.000 1.030 288 A CA 0.259 52.401 52.037 0.175 0.000 0.883 288 A CB -0.617 18.495 19.000 0.186 0.000 1.191 288 A HN 0.336 nan 8.150 nan 0.000 0.507 289 T N -3.179 111.415 114.554 0.068 0.000 3.044 289 T HA 0.361 4.712 4.350 0.001 0.000 0.260 289 T C 0.159 174.411 174.700 -0.746 0.000 1.019 289 T CA 0.682 62.690 62.100 -0.154 0.000 0.921 289 T CB -0.309 68.309 68.868 -0.416 0.000 1.053 289 T HN 0.596 nan 8.240 nan 0.000 0.533 290 D N -1.178 118.910 120.400 -0.520 0.000 2.652 290 D HA 0.327 4.968 4.640 0.001 0.000 0.285 290 D C 0.182 176.404 176.300 -0.130 0.000 1.173 290 D CA -1.150 52.443 54.000 -0.679 0.000 0.981 290 D CB 0.184 40.784 40.800 -0.333 0.000 1.440 290 D HN -0.127 nan 8.370 nan 0.000 0.485 291 Y N -0.613 119.745 120.300 0.096 0.000 2.242 291 Y HA -0.001 4.549 4.550 0.001 0.000 0.291 291 Y C 2.277 178.264 175.900 0.145 0.000 1.137 291 Y CA 1.199 59.444 58.100 0.243 0.000 1.181 291 Y CB -0.173 38.408 38.460 0.202 0.000 0.989 291 Y HN 0.314 nan 8.280 nan 0.000 0.527 292 K N 0.724 121.266 120.400 0.235 0.000 2.026 292 K HA -0.180 4.140 4.320 0.001 0.000 0.208 292 K C 1.891 178.605 176.600 0.190 0.000 1.048 292 K CA 1.665 58.049 56.287 0.162 0.000 0.929 292 K CB -0.343 32.247 32.500 0.150 0.000 0.713 292 K HN 0.353 nan 8.250 nan 0.000 0.439 293 Q N -0.308 119.599 119.800 0.179 0.000 2.084 293 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 293 Q C 2.002 178.127 176.000 0.208 0.000 0.978 293 Q CA 1.486 57.406 55.803 0.195 0.000 0.844 293 Q CB -0.255 28.547 28.738 0.107 0.000 0.898 293 Q HN 0.208 nan 8.270 nan 0.000 0.426 294 L N 1.116 122.469 121.223 0.216 0.000 2.079 294 L HA -0.252 4.089 4.340 0.001 0.000 0.210 294 L C 2.414 179.399 176.870 0.191 0.000 1.081 294 L CA 1.864 56.841 54.840 0.228 0.000 0.752 294 L CB -0.562 41.664 42.059 0.278 0.000 0.896 294 L HN 0.242 nan 8.230 nan 0.000 0.433 295 Q N -1.761 118.119 119.800 0.133 0.000 2.061 295 Q HA -0.270 4.070 4.340 0.001 0.000 0.204 295 Q C 2.184 178.132 176.000 -0.087 0.000 0.984 295 Q CA 2.313 58.109 55.803 -0.011 0.000 0.846 295 Q CB -0.309 28.323 28.738 -0.177 0.000 0.902 295 Q HN 0.595 nan 8.270 nan 0.000 0.421 296 Y N -0.338 120.028 120.300 0.110 0.000 2.314 296 Y HA -0.055 4.496 4.550 0.001 0.000 0.293 296 Y C 2.296 178.244 175.900 0.082 0.000 1.129 296 Y CA 0.881 59.031 58.100 0.083 0.000 1.201 296 Y CB -0.611 37.892 38.460 0.071 0.000 0.999 296 Y HN 0.263 nan 8.280 nan 0.000 0.541 297 A N -0.355 122.599 122.820 0.222 0.000 1.877 297 A HA -0.149 4.171 4.320 0.001 0.000 0.216 297 A C 2.429 180.092 177.584 0.131 0.000 1.186 297 A CA 1.991 54.126 52.037 0.164 0.000 0.620 297 A CB -1.203 17.888 19.000 0.152 0.000 0.822 297 A HN 0.231 nan 8.150 nan 0.000 0.443 298 V N -0.157 119.834 119.914 0.129 0.000 2.343 298 V HA -0.299 3.822 4.120 0.001 0.000 0.247 298 V C 2.766 178.879 176.094 0.032 0.000 1.051 298 V CA 2.446 64.801 62.300 0.092 0.000 1.036 298 V CB -0.718 31.185 31.823 0.133 0.000 0.654 298 V HN 0.759 nan 8.190 nan 0.000 0.451 299 Q N -0.089 119.737 119.800 0.044 0.000 2.124 299 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 299 Q C 1.821 177.857 176.000 0.062 0.000 0.977 299 Q CA 1.867 57.694 55.803 0.039 0.000 0.850 299 Q CB -0.232 28.556 28.738 0.083 0.000 0.901 299 Q HN 0.639 nan 8.270 nan 0.000 0.429 300 L N -0.015 121.265 121.223 0.096 0.000 2.592 300 L HA 0.154 4.495 4.340 0.001 0.000 0.227 300 L C 0.309 177.220 176.870 0.069 0.000 1.127 300 L CA -0.087 54.806 54.840 0.088 0.000 0.884 300 L CB -0.180 41.947 42.059 0.113 0.000 1.065 300 L HN 0.309 nan 8.230 nan 0.000 0.457 301 N N 0.199 118.935 118.700 0.061 0.000 2.688 301 N HA -0.213 4.528 4.740 0.001 0.000 0.258 301 N C 0.687 176.241 175.510 0.073 0.000 1.016 301 N CA 0.756 53.840 53.050 0.057 0.000 0.747 301 N CB -0.782 37.728 38.487 0.039 0.000 0.895 301 N HN 0.155 nan 8.380 nan 0.000 0.543 302 S N -1.332 114.420 115.700 0.087 0.000 2.478 302 S HA 0.199 4.669 4.470 0.001 0.000 0.222 302 S C 0.369 175.023 174.600 0.089 0.000 1.008 302 S CA 0.424 58.679 58.200 0.092 0.000 0.928 302 S CB 0.899 64.157 63.200 0.097 0.000 0.781 302 S HN 0.270 nan 8.310 nan 0.000 0.518 303 V N 2.125 122.088 119.914 0.081 0.000 2.612 303 V HA 0.255 4.376 4.120 0.001 0.000 0.301 303 V C -0.695 175.430 176.094 0.051 0.000 1.059 303 V CA -0.660 61.677 62.300 0.063 0.000 0.886 303 V CB 1.983 33.843 31.823 0.061 0.000 1.007 303 V HN 0.117 nan 8.190 nan 0.000 0.426 304 D N 3.548 123.968 120.400 0.033 0.000 2.183 304 D HA 0.184 4.824 4.640 0.001 0.000 0.205 304 D C 0.297 176.571 176.300 -0.044 0.000 0.962 304 D CA 1.070 55.076 54.000 0.011 0.000 0.849 304 D CB 0.440 41.249 40.800 0.015 0.000 0.978 304 D HN 0.516 nan 8.370 nan 0.000 0.488 305 I N 1.434 121.941 120.570 -0.106 0.000 2.537 305 I HA 0.264 4.435 4.170 0.001 0.000 0.276 305 I C -2.587 173.426 176.117 -0.173 0.000 1.063 305 I CA -2.243 58.936 61.300 -0.201 0.000 1.144 305 I CB 1.824 39.566 38.000 -0.430 0.000 1.252 305 I HN -0.304 nan 8.210 nan 0.000 0.480 306 P HA 0.179 nan 4.420 nan 0.000 0.276 306 P C -0.429 176.716 177.300 -0.260 0.000 1.253 306 P CA -0.111 62.919 63.100 -0.117 0.000 0.766 306 P CB 0.572 32.215 31.700 -0.095 0.000 0.845 307 L N 2.775 123.907 121.223 -0.151 0.000 2.375 307 L HA 0.318 4.658 4.340 0.001 0.000 0.276 307 L C 1.006 177.792 176.870 -0.139 0.000 1.162 307 L CA -0.548 54.160 54.840 -0.220 0.000 0.991 307 L CB -0.166 41.878 42.059 -0.025 0.000 1.315 307 L HN 0.352 nan 8.230 nan 0.000 0.431 308 A N 1.679 124.209 122.820 -0.484 0.000 3.037 308 A HA 0.053 4.374 4.320 0.001 0.000 0.272 308 A C 0.292 177.713 177.584 -0.272 0.000 1.723 308 A CA -0.483 51.291 52.037 -0.438 0.000 1.413 308 A CB -0.530 18.018 19.000 -0.752 0.000 1.112 308 A HN 0.616 nan 8.150 nan 0.000 0.606 309 D N 1.372 121.604 120.400 -0.281 0.000 2.531 309 D HA -0.041 4.599 4.640 0.001 0.000 0.239 309 D C 1.502 177.612 176.300 -0.316 0.000 1.144 309 D CA 0.356 54.142 54.000 -0.358 0.000 0.869 309 D CB 0.545 41.019 40.800 -0.542 0.000 1.160 309 D HN 0.569 nan 8.370 nan 0.000 0.484 310 C N 2.818 122.004 119.300 -0.190 0.000 2.437 310 C HA 0.009 4.470 4.460 0.001 0.000 0.283 310 C C 2.136 177.044 174.990 -0.137 0.000 1.424 310 C CA 0.235 59.175 59.018 -0.130 0.000 1.782 310 C CB -1.601 26.041 27.740 -0.162 0.000 1.833 310 C HN 0.730 nan 8.230 nan 0.000 0.532 311 H N 1.018 120.074 119.070 -0.023 0.000 2.428 311 H HA 0.038 4.595 4.556 0.001 0.000 0.296 311 H C 1.825 177.209 175.328 0.094 0.000 1.062 311 H CA 2.192 58.308 56.048 0.112 0.000 1.350 311 H CB -0.195 29.704 29.762 0.228 0.000 1.403 311 H HN 0.762 nan 8.280 nan 0.000 0.533 312 F N -4.221 115.820 119.950 0.152 0.000 2.704 312 F HA 0.253 4.781 4.527 0.001 0.000 0.304 312 F C 0.928 176.619 175.800 -0.182 0.000 1.094 312 F CA -0.781 57.123 58.000 -0.160 0.000 1.275 312 F CB -0.433 38.454 39.000 -0.189 0.000 1.073 312 F HN -0.027 nan 8.300 nan 0.000 0.586 313 W N 2.541 123.827 121.300 -0.024 0.000 3.107 313 W HA 0.286 4.947 4.660 0.001 0.000 0.293 313 W C 0.487 177.019 176.519 0.022 0.000 1.239 313 W CA 1.482 58.839 57.345 0.019 0.000 1.653 313 W CB 0.173 29.600 29.460 -0.056 0.000 1.068 313 W HN 0.231 nan 8.180 nan 0.000 0.615 314 T N -3.009 111.662 114.554 0.196 0.000 0.541 314 T HA -0.343 4.008 4.350 0.001 0.000 0.774 314 T C 0.486 175.240 174.700 0.089 0.000 0.992 314 T CA 0.631 62.810 62.100 0.132 0.000 4.077 314 T CB -0.761 68.192 68.868 0.140 0.000 2.303 314 T HN 0.142 nan 8.240 nan 0.000 0.398 315 M N 1.322 120.929 119.600 0.011 0.000 2.086 315 M HA -0.116 4.365 4.480 0.001 0.000 0.261 315 M C 2.800 179.044 176.300 -0.093 0.000 1.067 315 M CA 2.414 57.672 55.300 -0.071 0.000 1.116 315 M CB -0.516 31.994 32.600 -0.150 0.000 1.348 315 M HN 0.739 nan 8.290 nan 0.000 0.407 316 Q N -0.198 119.552 119.800 -0.084 0.000 2.124 316 Q HA -0.110 4.230 4.340 0.001 0.000 0.202 316 Q C 2.226 178.236 176.000 0.017 0.000 0.977 316 Q CA 1.480 57.243 55.803 -0.066 0.000 0.850 316 Q CB -0.368 28.371 28.738 0.001 0.000 0.901 316 Q HN 0.695 nan 8.270 nan 0.000 0.429 317 G N 0.686 109.557 108.800 0.118 0.000 2.394 317 G HA2 -0.166 3.795 3.960 0.001 0.000 0.215 317 G HA3 -0.166 3.795 3.960 0.001 0.000 0.215 317 G C 1.516 176.465 174.900 0.082 0.000 1.165 317 G CA 0.761 46.003 45.100 0.237 0.000 0.784 317 G HN 0.403 nan 8.290 nan 0.000 0.535 318 A N 0.209 123.068 122.820 0.064 0.000 1.940 318 A HA 0.050 4.370 4.320 0.001 0.000 0.219 318 A C 2.585 180.133 177.584 -0.060 0.000 1.176 318 A CA 1.890 53.926 52.037 -0.001 0.000 0.631 318 A CB -0.576 18.499 19.000 0.124 0.000 0.814 318 A HN 0.258 nan 8.150 nan 0.000 0.446 319 V N -0.293 119.529 119.914 -0.155 0.000 2.379 319 V HA -0.193 3.928 4.120 0.001 0.000 0.245 319 V C 3.048 179.000 176.094 -0.238 0.000 1.044 319 V CA 1.715 63.840 62.300 -0.292 0.000 1.036 319 V CB -1.251 30.419 31.823 -0.256 0.000 0.664 319 V HN 0.612 nan 8.190 nan 0.000 0.453 320 A N 0.055 122.795 122.820 -0.134 0.000 1.917 320 A HA -0.199 4.122 4.320 0.001 0.000 0.219 320 A C 2.393 179.904 177.584 -0.123 0.000 1.182 320 A CA 2.293 54.279 52.037 -0.086 0.000 0.633 320 A CB -0.775 18.252 19.000 0.046 0.000 0.819 320 A HN 0.350 nan 8.150 nan 0.000 0.448 321 V N -0.167 119.626 119.914 -0.201 0.000 2.407 321 V HA -0.187 3.934 4.120 0.001 0.000 0.248 321 V C 2.789 178.815 176.094 -0.113 0.000 1.055 321 V CA 1.930 64.069 62.300 -0.269 0.000 1.049 321 V CB -1.448 29.996 31.823 -0.630 0.000 0.662 321 V HN 0.632 nan 8.190 nan 0.000 0.455 322 G N -0.548 108.158 108.800 -0.157 0.000 2.418 322 G HA2 -0.225 3.735 3.960 0.001 0.000 0.217 322 G HA3 -0.225 3.735 3.960 0.001 0.000 0.217 322 G C 1.460 176.242 174.900 -0.196 0.000 1.158 322 G CA 0.842 45.764 45.100 -0.295 0.000 0.771 322 G HN 0.569 nan 8.290 nan 0.000 0.545 323 E N -0.414 119.677 120.200 -0.180 0.000 2.077 323 E HA -0.080 4.270 4.350 0.001 0.000 0.193 323 E C 2.377 178.878 176.600 -0.165 0.000 0.989 323 E CA 0.600 56.941 56.400 -0.098 0.000 0.800 323 E CB -0.169 29.493 29.700 -0.062 0.000 0.746 323 E HN 0.297 nan 8.360 nan 0.000 0.452 324 L N 0.673 121.753 121.223 -0.239 0.000 2.083 324 L HA -0.166 4.175 4.340 0.001 0.000 0.209 324 L C 2.149 178.850 176.870 -0.280 0.000 1.083 324 L CA 1.455 56.044 54.840 -0.417 0.000 0.752 324 L CB -0.388 41.415 42.059 -0.427 0.000 0.899 324 L HN 0.242 nan 8.230 nan 0.000 0.433 325 C N -0.721 118.517 119.300 -0.103 0.000 2.429 325 C HA -0.150 4.310 4.460 0.001 0.000 0.277 325 C C 2.618 177.615 174.990 0.011 0.000 1.262 325 C CA 1.195 60.217 59.018 0.007 0.000 1.733 325 C CB -1.346 26.433 27.740 0.066 0.000 2.010 325 C HN 0.710 nan 8.230 nan 0.000 0.483 326 N N 0.722 119.399 118.700 -0.037 0.000 2.309 326 N HA -0.115 4.626 4.740 0.001 0.000 0.182 326 N C 1.692 177.190 175.510 -0.021 0.000 1.018 326 N CA 1.258 54.288 53.050 -0.034 0.000 0.876 326 N CB -0.159 38.284 38.487 -0.073 0.000 0.972 326 N HN 0.466 nan 8.380 nan 0.000 0.434 327 E N -1.275 118.883 120.200 -0.069 0.000 2.170 327 E HA -0.053 4.298 4.350 0.001 0.000 0.191 327 E C 0.242 176.987 176.600 0.241 0.000 0.981 327 E CA 0.588 56.970 56.400 -0.030 0.000 0.830 327 E CB -0.096 29.443 29.700 -0.268 0.000 0.775 327 E HN 0.539 nan 8.360 nan 0.000 0.470 328 W N 0.582 121.892 121.300 0.016 0.000 2.862 328 W HA 0.393 5.054 4.660 0.001 0.000 0.426 328 W C 0.879 177.407 176.519 0.016 0.000 0.950 328 W CA -0.305 57.051 57.345 0.018 0.000 2.150 328 W CB -0.029 29.445 29.460 0.024 0.000 1.161 328 W HN 0.137 nan 8.180 nan 0.000 0.696 329 G N 1.031 109.953 108.800 0.202 0.000 2.168 329 G HA2 -0.331 3.630 3.960 0.001 0.000 0.257 329 G HA3 -0.331 3.630 3.960 0.001 0.000 0.257 329 G C 0.348 175.309 174.900 0.103 0.000 0.997 329 G CA 0.418 45.590 45.100 0.120 0.000 0.708 329 G HN 0.213 nan 8.290 nan 0.000 0.520 330 M N -0.461 119.209 119.600 0.116 0.000 2.679 330 M HA 0.594 5.075 4.480 0.001 0.000 0.287 330 M C 0.169 176.500 176.300 0.052 0.000 1.202 330 M CA -0.291 55.057 55.300 0.080 0.000 0.911 330 M CB 1.743 34.400 32.600 0.096 0.000 1.556 330 M HN 0.042 nan 8.290 nan 0.000 0.511 331 T N 0.212 114.779 114.554 0.022 0.000 2.840 331 T HA 0.251 4.602 4.350 0.001 0.000 0.287 331 T C -1.552 173.163 174.700 0.025 0.000 0.991 331 T CA -0.470 61.643 62.100 0.022 0.000 0.964 331 T CB 0.674 69.528 68.868 -0.022 0.000 0.954 331 T HN 0.559 nan 8.240 nan 0.000 0.438 332 W N 3.365 124.597 121.300 -0.114 0.000 2.253 332 W HA 0.538 5.199 4.660 0.001 0.000 0.322 332 W C 0.442 176.879 176.519 -0.136 0.000 1.342 332 W CA 0.462 57.724 57.345 -0.138 0.000 1.218 332 W CB 0.413 29.788 29.460 -0.142 0.000 1.205 332 W HN 0.820 nan 8.180 nan 0.000 0.551 333 G N 2.259 110.605 108.800 -0.757 0.000 3.015 333 G HA2 0.571 4.532 3.960 0.001 0.000 0.281 333 G HA3 0.571 4.532 3.960 0.001 0.000 0.281 333 G C -1.617 172.443 174.900 -1.400 0.000 1.386 333 G CA -0.827 43.777 45.100 -0.827 0.000 0.959 333 G HN 0.426 nan 8.290 nan 0.000 0.522 334 S N -1.207 114.012 115.700 -0.802 0.000 2.619 334 S HA 0.415 4.886 4.470 0.001 0.000 0.280 334 S C -0.884 173.605 174.600 -0.186 0.000 1.150 334 S CA -0.756 57.094 58.200 -0.583 0.000 0.978 334 S CB 0.764 63.689 63.200 -0.458 0.000 1.041 334 S HN 0.789 nan 8.310 nan 0.000 0.485 335 H N 2.716 121.708 119.070 -0.130 0.000 2.551 335 H HA 0.637 5.193 4.556 0.001 0.000 0.358 335 H C -0.461 174.977 175.328 0.184 0.000 1.151 335 H CA 0.249 56.347 56.048 0.084 0.000 1.374 335 H CB 1.497 31.402 29.762 0.238 0.000 1.473 335 H HN 0.565 nan 8.280 nan 0.000 0.574 336 S N 2.782 118.218 115.700 -0.441 0.000 2.595 336 S HA 0.421 4.892 4.470 0.001 0.000 0.281 336 S C -1.271 173.304 174.600 -0.042 0.000 1.117 336 S CA -0.836 57.348 58.200 -0.027 0.000 0.873 336 S CB 1.336 64.766 63.200 0.383 0.000 1.108 336 S HN 0.864 nan 8.310 nan 0.000 0.477 337 N N 1.194 119.950 118.700 0.094 0.000 2.328 337 N HA 0.417 5.158 4.740 0.001 0.000 0.299 337 N C -1.493 173.773 175.510 -0.406 0.000 1.179 337 N CA -0.962 51.972 53.050 -0.194 0.000 0.793 337 N CB 0.754 39.230 38.487 -0.018 0.000 1.366 337 N HN 0.678 nan 8.380 nan 0.000 0.493 338 N N 1.636 119.778 118.700 -0.929 0.000 2.223 338 N HA -0.068 4.672 4.740 0.001 0.000 0.271 338 N C -0.907 174.272 175.510 -0.552 0.000 1.315 338 N CA 0.745 53.302 53.050 -0.822 0.000 0.835 338 N CB -0.021 37.859 38.487 -1.012 0.000 1.066 338 N HN 0.473 nan 8.380 nan 0.000 0.486 339 H N 0.163 118.983 119.070 -0.416 0.000 3.016 339 H HA 0.395 4.952 4.556 0.001 0.000 0.362 339 H C -0.911 174.543 175.328 0.209 0.000 1.233 339 H CA -0.844 55.214 56.048 0.015 0.000 1.124 339 H CB 0.464 30.300 29.762 0.124 0.000 1.850 339 H HN 0.215 nan 8.280 nan 0.000 0.549 340 F N 0.746 121.040 119.950 0.573 0.000 2.251 340 F HA 0.046 4.574 4.527 0.001 0.000 0.302 340 F C 1.879 177.922 175.800 0.405 0.000 1.143 340 F CA 0.152 58.491 58.000 0.566 0.000 1.104 340 F CB 0.571 39.811 39.000 0.400 0.000 1.516 340 F HN 0.662 nan 8.300 nan 0.000 0.511 341 D N -0.591 120.080 120.400 0.451 0.000 2.355 341 D HA -0.042 4.599 4.640 0.001 0.000 0.218 341 D C 1.834 178.069 176.300 -0.109 0.000 1.004 341 D CA 0.866 54.801 54.000 -0.109 0.000 0.880 341 D CB -0.453 40.232 40.800 -0.191 0.000 0.911 341 D HN 0.440 nan 8.370 nan 0.000 0.528 342 I N 0.619 121.223 120.570 0.056 0.000 2.233 342 I HA -0.215 3.956 4.170 0.001 0.000 0.243 342 I C 2.270 178.388 176.117 0.001 0.000 1.093 342 I CA 0.778 62.075 61.300 -0.005 0.000 1.380 342 I CB -0.136 37.893 38.000 0.049 0.000 1.067 342 I HN -0.091 nan 8.210 nan 0.000 0.413 343 S N 0.821 116.597 115.700 0.125 0.000 2.382 343 S HA -0.170 4.301 4.470 0.001 0.000 0.228 343 S C 1.937 176.498 174.600 -0.064 0.000 1.027 343 S CA 1.146 59.430 58.200 0.140 0.000 0.991 343 S CB -0.389 62.965 63.200 0.257 0.000 0.823 343 S HN 0.277 nan 8.310 nan 0.000 0.469 344 L N 1.869 123.038 121.223 -0.091 0.000 2.043 344 L HA -0.153 4.188 4.340 0.001 0.000 0.212 344 L C 2.308 179.008 176.870 -0.282 0.000 1.075 344 L CA 2.067 56.785 54.840 -0.204 0.000 0.752 344 L CB -0.952 40.866 42.059 -0.402 0.000 0.891 344 L HN 0.268 nan 8.230 nan 0.000 0.432 345 A N -1.163 121.380 122.820 -0.462 0.000 1.898 345 A HA -0.200 4.120 4.320 0.001 0.000 0.216 345 A C 2.259 179.857 177.584 0.024 0.000 1.181 345 A CA 1.847 53.609 52.037 -0.458 0.000 0.620 345 A CB -0.509 18.121 19.000 -0.617 0.000 0.819 345 A HN 0.506 nan 8.150 nan 0.000 0.442 346 M N -0.217 119.367 119.600 -0.026 0.000 2.073 346 M HA -0.253 4.227 4.480 0.001 0.000 0.258 346 M C 2.516 178.816 176.300 0.001 0.000 1.070 346 M CA 2.530 57.826 55.300 -0.006 0.000 1.103 346 M CB -0.635 31.934 32.600 -0.051 0.000 1.321 346 M HN 0.727 nan 8.290 nan 0.000 0.405 347 M N -1.279 118.297 119.600 -0.040 0.000 2.159 347 M HA -0.113 4.368 4.480 0.001 0.000 0.263 347 M C 1.713 178.051 176.300 0.063 0.000 1.063 347 M CA 1.921 57.218 55.300 -0.005 0.000 1.110 347 M CB -1.167 31.413 32.600 -0.033 0.000 1.374 347 M HN 0.068 nan 8.290 nan 0.000 0.411 348 T N 0.232 114.829 114.554 0.072 0.000 2.708 348 T HA -0.135 4.216 4.350 0.001 0.000 0.266 348 T C 1.817 176.504 174.700 -0.022 0.000 1.037 348 T CA 1.721 63.860 62.100 0.065 0.000 1.146 348 T CB -0.686 68.292 68.868 0.183 0.000 0.865 348 T HN 0.536 nan 8.240 nan 0.000 0.435 349 H N 0.177 119.269 119.070 0.035 0.000 2.389 349 H HA 0.033 4.590 4.556 0.001 0.000 0.299 349 H C 2.509 177.783 175.328 -0.089 0.000 1.081 349 H CA 1.110 57.147 56.048 -0.019 0.000 1.345 349 H CB -0.373 29.376 29.762 -0.021 0.000 1.393 349 H HN 0.176 nan 8.280 nan 0.000 0.520 350 V N 1.141 121.068 119.914 0.022 0.000 2.295 350 V HA -0.238 3.883 4.120 0.001 0.000 0.246 350 V C 2.820 178.777 176.094 -0.229 0.000 1.049 350 V CA 1.593 63.839 62.300 -0.089 0.000 1.024 350 V CB -0.926 30.883 31.823 -0.023 0.000 0.648 350 V HN 0.452 nan 8.190 nan 0.000 0.447 351 A N -0.131 122.616 122.820 -0.122 0.000 1.972 351 A HA -0.067 4.254 4.320 0.001 0.000 0.219 351 A C 2.350 179.781 177.584 -0.254 0.000 1.169 351 A CA 1.795 53.690 52.037 -0.237 0.000 0.635 351 A CB -0.649 18.423 19.000 0.120 0.000 0.810 351 A HN 0.584 nan 8.150 nan 0.000 0.446 352 A N -0.639 122.082 122.820 -0.165 0.000 2.067 352 A HA 0.281 4.602 4.320 0.001 0.000 0.219 352 A C 2.037 179.524 177.584 -0.161 0.000 1.158 352 A CA 1.597 53.547 52.037 -0.146 0.000 0.661 352 A CB -0.496 18.424 19.000 -0.134 0.000 0.801 352 A HN 1.065 nan 8.150 nan 0.000 0.452 353 A N -1.916 120.779 122.820 -0.210 0.000 2.387 353 A HA 0.370 4.691 4.320 0.001 0.000 0.234 353 A C 0.451 177.886 177.584 -0.250 0.000 1.253 353 A CA -0.077 51.847 52.037 -0.189 0.000 0.894 353 A CB -0.550 18.346 19.000 -0.172 0.000 0.963 353 A HN 0.397 nan 8.150 nan 0.000 0.508 354 C N 2.813 121.886 119.300 -0.379 0.000 2.325 354 C HA 0.507 4.967 4.460 0.001 0.000 0.347 354 C C -2.050 172.781 174.990 -0.265 0.000 1.263 354 C CA -1.294 57.440 59.018 -0.473 0.000 1.806 354 C CB 0.574 27.762 27.740 -0.919 0.000 2.405 354 C HN 0.451 nan 8.230 nan 0.000 0.537 355 P HA 0.497 nan 4.420 nan 0.000 0.279 355 P C 0.351 177.571 177.300 -0.134 0.000 1.252 355 P CA 0.862 63.872 63.100 -0.150 0.000 0.811 355 P CB 0.981 32.574 31.700 -0.179 0.000 1.035 356 G N 1.456 110.185 108.800 -0.119 0.000 2.584 356 G HA2 -0.147 3.814 3.960 0.001 0.000 0.229 356 G HA3 -0.147 3.814 3.960 0.001 0.000 0.229 356 G C -0.938 173.930 174.900 -0.052 0.000 1.320 356 G CA -0.475 44.577 45.100 -0.080 0.000 0.891 356 G HN 0.569 nan 8.290 nan 0.000 0.573 357 E N 0.514 120.700 120.200 -0.023 0.000 2.197 357 E HA 0.596 4.947 4.350 0.001 0.000 0.281 357 E C 0.723 177.339 176.600 0.027 0.000 0.995 357 E CA -0.150 56.249 56.400 -0.001 0.000 0.808 357 E CB 1.310 31.014 29.700 0.006 0.000 1.093 357 E HN 0.871 nan 8.360 nan 0.000 0.394 358 I N -1.758 118.841 120.570 0.048 0.000 2.957 358 I HA 0.561 4.732 4.170 0.001 0.000 0.310 358 I C 0.272 176.443 176.117 0.089 0.000 1.063 358 I CA -0.910 60.462 61.300 0.119 0.000 1.033 358 I CB 2.153 40.282 38.000 0.215 0.000 1.230 358 I HN 0.135 nan 8.210 nan 0.000 0.447 359 T N 1.888 116.488 114.554 0.077 0.000 2.934 359 T HA 0.641 4.992 4.350 0.001 0.000 0.283 359 T C 0.155 174.878 174.700 0.039 0.000 1.005 359 T CA -0.257 61.859 62.100 0.027 0.000 1.041 359 T CB 1.009 69.843 68.868 -0.057 0.000 1.042 359 T HN 0.887 nan 8.240 nan 0.000 0.505 360 A N 3.674 126.511 122.820 0.028 0.000 2.567 360 A HA 0.352 4.673 4.320 0.001 0.000 0.240 360 A C 0.666 178.238 177.584 -0.021 0.000 1.053 360 A CA -0.169 51.876 52.037 0.013 0.000 0.755 360 A CB -0.840 18.151 19.000 -0.015 0.000 0.978 360 A HN 0.882 nan 8.150 nan 0.000 0.507 361 I N 0.053 120.624 120.570 0.002 0.000 2.575 361 I HA 0.363 4.533 4.170 0.001 0.000 0.285 361 I C -0.594 175.486 176.117 -0.061 0.000 1.085 361 I CA -0.876 60.404 61.300 -0.034 0.000 1.403 361 I CB 0.549 38.574 38.000 0.042 0.000 1.409 361 I HN 0.429 nan 8.210 nan 0.000 0.557 362 D N 3.382 123.720 120.400 -0.104 0.000 2.372 362 D HA 0.359 5.000 4.640 0.001 0.000 0.243 362 D C -0.020 176.327 176.300 0.079 0.000 1.121 362 D CA 0.200 54.123 54.000 -0.129 0.000 0.898 362 D CB 1.355 42.018 40.800 -0.229 0.000 1.202 362 D HN 0.746 nan 8.370 nan 0.000 0.428 363 T N 0.019 114.697 114.554 0.206 0.000 2.982 363 T HA 0.219 4.570 4.350 0.001 0.000 0.321 363 T C -0.333 174.671 174.700 0.506 0.000 1.229 363 T CA -0.575 61.793 62.100 0.447 0.000 1.044 363 T CB 0.646 69.758 68.868 0.407 0.000 1.184 363 T HN 0.333 nan 8.240 nan 0.000 0.477 364 H N 2.463 121.850 119.070 0.528 0.000 2.539 364 H HA 0.239 4.795 4.556 0.001 0.000 0.267 364 H C 1.451 176.870 175.328 0.153 0.000 0.982 364 H CA 0.198 56.460 56.048 0.357 0.000 1.146 364 H CB 0.202 30.032 29.762 0.113 0.000 1.382 364 H HN 0.578 nan 8.280 nan 0.000 0.577 365 W N 1.897 123.212 121.300 0.027 0.000 2.325 365 W HA -0.256 4.405 4.660 0.001 0.000 0.299 365 W C 1.579 178.054 176.519 -0.073 0.000 1.215 365 W CA 1.825 59.125 57.345 -0.075 0.000 1.244 365 W CB -0.119 29.379 29.460 0.064 0.000 1.140 365 W HN 0.392 nan 8.180 nan 0.000 0.523 366 I N -2.076 118.319 120.570 -0.292 0.000 2.423 366 I HA -0.257 3.914 4.170 0.001 0.000 0.254 366 I C 1.827 177.812 176.117 -0.222 0.000 1.151 366 I CA 1.838 62.859 61.300 -0.464 0.000 1.421 366 I CB -1.269 36.261 38.000 -0.783 0.000 1.079 366 I HN -0.090 nan 8.210 nan 0.000 0.431 367 W N 0.748 122.047 121.300 -0.002 0.000 2.576 367 W HA 0.060 4.721 4.660 0.001 0.000 0.270 367 W C 2.225 178.605 176.519 -0.233 0.000 1.255 367 W CA 0.028 57.316 57.345 -0.096 0.000 1.314 367 W CB -0.203 29.155 29.460 -0.170 0.000 1.101 367 W HN 0.120 nan 8.180 nan 0.000 0.595 368 Q N -0.099 119.531 119.800 -0.282 0.000 2.319 368 Q HA 0.026 4.367 4.340 0.001 0.000 0.209 368 Q C 0.066 175.634 176.000 -0.721 0.000 0.884 368 Q CA 0.284 55.806 55.803 -0.467 0.000 0.938 368 Q CB -0.082 28.303 28.738 -0.588 0.000 1.098 368 Q HN -0.095 nan 8.270 nan 0.000 0.517 369 D N -0.308 119.571 120.400 -0.867 0.000 2.531 369 D HA 0.197 4.838 4.640 0.001 0.000 0.239 369 D C 1.108 177.316 176.300 -0.152 0.000 1.144 369 D CA 1.792 55.404 54.000 -0.646 0.000 0.869 369 D CB 0.351 41.004 40.800 -0.244 0.000 1.160 369 D HN 0.359 nan 8.370 nan 0.000 0.484 370 G N 3.219 112.016 108.800 -0.004 0.000 2.278 370 G HA2 -0.207 3.754 3.960 0.001 0.000 0.210 370 G HA3 -0.207 3.754 3.960 0.001 0.000 0.210 370 G C 0.263 175.245 174.900 0.136 0.000 1.000 370 G CA -0.010 45.146 45.100 0.094 0.000 0.635 370 G HN 0.571 nan 8.290 nan 0.000 0.495 371 Q N 0.198 120.076 119.800 0.130 0.000 2.215 371 Q HA 0.787 5.128 4.340 0.001 0.000 0.256 371 Q C 0.278 176.558 176.000 0.467 0.000 0.972 371 Q CA -0.694 55.277 55.803 0.280 0.000 0.889 371 Q CB 1.447 30.357 28.738 0.285 0.000 1.281 371 Q HN 0.672 nan 8.270 nan 0.000 0.456 372 R N 0.151 120.954 120.500 0.505 0.000 2.687 372 R HA 0.374 4.715 4.340 0.001 0.000 0.265 372 R C -0.433 176.040 176.300 0.288 0.000 1.048 372 R CA -0.614 55.782 56.100 0.494 0.000 0.884 372 R CB 0.303 30.822 30.300 0.366 0.000 1.258 372 R HN 0.802 nan 8.270 nan 0.000 0.469 373 I N -2.352 118.320 120.570 0.169 0.000 4.240 373 I HA 0.227 4.398 4.170 0.001 0.000 0.331 373 I C 0.181 176.310 176.117 0.019 0.000 1.381 373 I CA -0.256 61.031 61.300 -0.023 0.000 1.136 373 I CB 1.234 39.072 38.000 -0.271 0.000 1.137 373 I HN 0.689 nan 8.210 nan 0.000 0.411 374 T N -1.806 112.793 114.554 0.075 0.000 2.936 374 T HA 0.461 4.812 4.350 0.001 0.000 0.282 374 T C 0.946 175.699 174.700 0.089 0.000 1.003 374 T CA -0.573 61.563 62.100 0.061 0.000 1.005 374 T CB 2.256 71.150 68.868 0.042 0.000 1.097 374 T HN 0.138 nan 8.240 nan 0.000 0.532 375 R N 0.261 120.808 120.500 0.079 0.000 2.075 375 R HA 0.047 4.388 4.340 0.001 0.000 0.232 375 R C 0.422 176.789 176.300 0.111 0.000 1.126 375 R CA 1.223 57.375 56.100 0.087 0.000 0.963 375 R CB -0.036 30.307 30.300 0.072 0.000 0.858 375 R HN 0.706 nan 8.270 nan 0.000 0.435 376 E N 0.604 120.880 120.200 0.126 0.000 2.731 376 E HA 0.224 4.574 4.350 0.001 0.000 0.248 376 E C -2.513 174.204 176.600 0.196 0.000 1.084 376 E CA -1.763 54.729 56.400 0.153 0.000 0.776 376 E CB 1.759 31.540 29.700 0.135 0.000 1.404 376 E HN 0.060 nan 8.360 nan 0.000 0.395 377 P HA -0.002 nan 4.420 nan 0.000 0.266 377 P C -0.303 177.144 177.300 0.245 0.000 1.195 377 P CA -0.090 63.097 63.100 0.145 0.000 0.768 377 P CB 0.386 32.223 31.700 0.229 0.000 0.838 378 F N 1.160 121.049 119.950 -0.101 0.000 2.595 378 F HA 0.061 4.589 4.527 0.001 0.000 0.359 378 F C 1.445 177.220 175.800 -0.041 0.000 1.147 378 F CA 0.309 58.261 58.000 -0.080 0.000 1.341 378 F CB -0.404 38.523 39.000 -0.122 0.000 1.104 378 F HN 0.287 nan 8.300 nan 0.000 0.603 379 Q N 2.538 122.445 119.800 0.178 0.000 2.316 379 Q HA 0.490 4.831 4.340 0.001 0.000 0.264 379 Q C -0.808 175.268 176.000 0.127 0.000 0.987 379 Q CA -0.701 55.206 55.803 0.174 0.000 0.852 379 Q CB 2.465 31.275 28.738 0.121 0.000 1.287 379 Q HN 0.451 nan 8.270 nan 0.000 0.448 380 I N 3.966 124.652 120.570 0.194 0.000 2.322 380 I HA 0.241 4.412 4.170 0.001 0.000 0.292 380 I C -0.289 175.842 176.117 0.022 0.000 1.060 380 I CA -0.213 61.151 61.300 0.106 0.000 1.309 380 I CB 0.181 38.242 38.000 0.101 0.000 1.415 380 I HN 0.453 nan 8.210 nan 0.000 0.492 381 R N 3.110 123.579 120.500 -0.051 0.000 2.575 381 R HA 0.541 4.882 4.340 0.001 0.000 0.293 381 R C -0.756 175.472 176.300 -0.120 0.000 0.983 381 R CA -0.886 55.152 56.100 -0.104 0.000 0.887 381 R CB 0.979 31.233 30.300 -0.078 0.000 1.184 381 R HN 0.454 nan 8.270 nan 0.000 0.445 382 D N 2.091 122.392 120.400 -0.165 0.000 2.772 382 D HA -0.150 4.491 4.640 0.001 0.000 0.233 382 D C 0.824 177.064 176.300 -0.099 0.000 1.143 382 D CA 2.087 56.011 54.000 -0.126 0.000 0.700 382 D CB -0.886 39.871 40.800 -0.072 0.000 1.076 382 D HN 1.154 nan 8.370 nan 0.000 0.430 383 G N -0.700 107.994 108.800 -0.177 0.000 2.153 383 G HA2 -0.379 3.582 3.960 0.001 0.000 0.252 383 G HA3 -0.379 3.582 3.960 0.001 0.000 0.252 383 G C 0.209 175.114 174.900 0.008 0.000 0.994 383 G CA 0.755 45.807 45.100 -0.081 0.000 0.698 383 G HN 0.498 nan 8.290 nan 0.000 0.521 384 K N -0.945 119.438 120.400 -0.028 0.000 2.426 384 K HA 0.733 5.054 4.320 0.001 0.000 0.251 384 K C -0.425 176.172 176.600 -0.004 0.000 0.941 384 K CA -0.889 55.395 56.287 -0.004 0.000 0.808 384 K CB 1.961 34.447 32.500 -0.024 0.000 1.265 384 K HN 0.080 nan 8.250 nan 0.000 0.432 385 L N 1.458 122.685 121.223 0.006 0.000 2.329 385 L HA 0.395 4.736 4.340 0.001 0.000 0.279 385 L C -0.235 176.585 176.870 -0.082 0.000 1.014 385 L CA -0.646 54.191 54.840 -0.006 0.000 0.814 385 L CB 2.062 44.162 42.059 0.069 0.000 1.257 385 L HN 0.574 nan 8.230 nan 0.000 0.424 386 T N 2.309 116.757 114.554 -0.177 0.000 2.832 386 T HA 0.294 4.645 4.350 0.001 0.000 0.296 386 T C -0.010 174.479 174.700 -0.351 0.000 0.968 386 T CA -0.412 61.545 62.100 -0.239 0.000 1.107 386 T CB 1.061 69.777 68.868 -0.255 0.000 0.916 386 T HN 0.191 nan 8.240 nan 0.000 0.517 387 V N 7.320 127.075 119.914 -0.264 0.000 2.385 387 V HA 0.247 4.368 4.120 0.001 0.000 0.269 387 V C -1.979 173.956 176.094 -0.265 0.000 1.043 387 V CA -1.907 60.209 62.300 -0.307 0.000 0.906 387 V CB 0.417 32.093 31.823 -0.245 0.000 0.995 387 V HN 0.713 nan 8.190 nan 0.000 0.467 388 P HA 0.244 nan 4.420 nan 0.000 0.272 388 P C 0.266 177.544 177.300 -0.037 0.000 1.223 388 P CA -0.276 62.744 63.100 -0.133 0.000 0.784 388 P CB 0.803 32.481 31.700 -0.037 0.000 0.923 389 K N -0.299 120.085 120.400 -0.027 0.000 2.358 389 K HA 0.089 4.410 4.320 0.001 0.000 0.197 389 K C 0.535 177.147 176.600 0.021 0.000 1.025 389 K CA 0.182 56.467 56.287 -0.003 0.000 1.104 389 K CB -0.038 32.450 32.500 -0.021 0.000 0.855 389 K HN 0.596 nan 8.250 nan 0.000 0.531 390 T N 0.807 115.383 114.554 0.035 0.000 2.860 390 T HA 0.178 4.528 4.350 0.001 0.000 0.299 390 T C -2.567 172.172 174.700 0.065 0.000 1.045 390 T CA -1.714 60.415 62.100 0.047 0.000 1.071 390 T CB 0.689 69.591 68.868 0.056 0.000 0.985 390 T HN -0.194 nan 8.240 nan 0.000 0.537 391 P HA 0.405 nan 4.420 nan 0.000 0.271 391 P C 1.075 178.400 177.300 0.042 0.000 1.218 391 P CA 0.982 64.105 63.100 0.038 0.000 0.780 391 P CB 0.124 31.842 31.700 0.030 0.000 0.901 392 G N 1.524 110.334 108.800 0.017 0.000 2.539 392 G HA2 -0.305 3.656 3.960 0.001 0.000 0.256 392 G HA3 -0.305 3.656 3.960 0.001 0.000 0.256 392 G C 0.711 175.550 174.900 -0.101 0.000 1.233 392 G CA 0.063 45.154 45.100 -0.014 0.000 0.936 392 G HN 0.478 nan 8.290 nan 0.000 0.571 393 L N 1.922 123.077 121.223 -0.113 0.000 2.376 393 L HA 0.299 4.640 4.340 0.001 0.000 0.219 393 L C 2.413 179.395 176.870 0.187 0.000 1.133 393 L CA 1.288 56.020 54.840 -0.180 0.000 0.816 393 L CB -0.551 41.446 42.059 -0.104 0.000 0.933 393 L HN 2.135 nan 8.230 nan 0.000 0.449 394 G N 1.326 110.228 108.800 0.169 0.000 2.160 394 G HA2 -0.274 3.687 3.960 0.001 0.000 0.244 394 G HA3 -0.274 3.687 3.960 0.001 0.000 0.244 394 G C 0.138 175.194 174.900 0.261 0.000 1.022 394 G CA 0.540 45.782 45.100 0.236 0.000 0.741 394 G HN 0.474 nan 8.290 nan 0.000 0.508 395 I N -4.387 116.281 120.570 0.163 0.000 3.002 395 I HA 0.913 5.083 4.170 0.001 0.000 0.310 395 I C -0.624 175.538 176.117 0.075 0.000 1.087 395 I CA -1.437 59.937 61.300 0.123 0.000 1.017 395 I CB 2.336 40.355 38.000 0.031 0.000 1.226 395 I HN -0.040 nan 8.210 nan 0.000 0.443 396 E N 2.965 123.205 120.200 0.066 0.000 2.216 396 E HA 0.348 4.698 4.350 0.001 0.000 0.260 396 E C -1.395 175.227 176.600 0.036 0.000 0.880 396 E CA -0.976 55.453 56.400 0.048 0.000 0.765 396 E CB 2.763 32.495 29.700 0.053 0.000 1.174 396 E HN 0.562 nan 8.360 nan 0.000 0.417 397 L N 3.700 124.936 121.223 0.020 0.000 2.499 397 L HA 0.021 4.361 4.340 0.001 0.000 0.273 397 L C -0.033 176.843 176.870 0.011 0.000 1.195 397 L CA 0.720 55.564 54.840 0.007 0.000 0.882 397 L CB 0.387 42.442 42.059 -0.007 0.000 1.133 397 L HN 0.431 nan 8.230 nan 0.000 0.483 398 D N 3.956 124.363 120.400 0.011 0.000 2.428 398 D HA 0.038 4.679 4.640 0.001 0.000 0.221 398 D C 0.330 176.629 176.300 -0.002 0.000 1.123 398 D CA -0.248 53.762 54.000 0.016 0.000 0.869 398 D CB 0.754 41.574 40.800 0.034 0.000 1.032 398 D HN 0.613 nan 8.370 nan 0.000 0.506 399 D N 2.770 123.168 120.400 -0.003 0.000 2.123 399 D HA -0.179 4.462 4.640 0.001 0.000 0.196 399 D C 0.953 177.247 176.300 -0.010 0.000 0.992 399 D CA 1.035 55.027 54.000 -0.014 0.000 0.833 399 D CB 0.401 41.195 40.800 -0.010 0.000 0.954 399 D HN 0.508 nan 8.370 nan 0.000 0.455 400 D N 0.605 121.007 120.400 0.003 0.000 2.097 400 D HA -0.093 4.547 4.640 0.001 0.000 0.197 400 D C 2.082 178.388 176.300 0.010 0.000 0.984 400 D CA 0.780 54.786 54.000 0.010 0.000 0.826 400 D CB 0.007 40.818 40.800 0.019 0.000 0.973 400 D HN 0.067 nan 8.370 nan 0.000 0.460 401 K N 0.349 120.756 120.400 0.011 0.000 2.057 401 K HA -0.086 4.235 4.320 0.001 0.000 0.206 401 K C 2.121 178.698 176.600 -0.039 0.000 1.050 401 K CA 0.195 56.487 56.287 0.010 0.000 0.935 401 K CB -0.584 31.936 32.500 0.033 0.000 0.715 401 K HN 0.150 nan 8.250 nan 0.000 0.439 402 L N 1.449 122.634 121.223 -0.063 0.000 2.017 402 L HA -0.124 4.216 4.340 0.001 0.000 0.208 402 L C 2.487 179.329 176.870 -0.047 0.000 1.073 402 L CA 1.558 56.337 54.840 -0.102 0.000 0.745 402 L CB -0.472 41.529 42.059 -0.096 0.000 0.894 402 L HN 0.165 nan 8.230 nan 0.000 0.432 403 M N -0.866 118.727 119.600 -0.012 0.000 2.080 403 M HA -0.260 4.221 4.480 0.001 0.000 0.260 403 M C 2.045 178.382 176.300 0.062 0.000 1.068 403 M CA 2.085 57.406 55.300 0.036 0.000 1.109 403 M CB -0.225 32.388 32.600 0.022 0.000 1.342 403 M HN 0.329 nan 8.290 nan 0.000 0.405 404 E N 0.115 120.333 120.200 0.030 0.000 2.110 404 E HA -0.162 4.188 4.350 0.001 0.000 0.193 404 E C 1.984 178.601 176.600 0.029 0.000 0.988 404 E CA 1.216 57.634 56.400 0.029 0.000 0.804 404 E CB -0.208 29.511 29.700 0.031 0.000 0.745 404 E HN 0.695 nan 8.360 nan 0.000 0.458 405 A N 0.737 123.565 122.820 0.013 0.000 1.929 405 A HA -0.196 4.124 4.320 0.001 0.000 0.216 405 A C 1.903 179.514 177.584 0.045 0.000 1.176 405 A CA 1.666 53.706 52.037 0.005 0.000 0.628 405 A CB -0.610 18.300 19.000 -0.150 0.000 0.816 405 A HN 0.275 nan 8.150 nan 0.000 0.444 406 H N 0.050 119.093 119.070 -0.045 0.000 2.321 406 H HA -0.096 4.460 4.556 0.001 0.000 0.300 406 H C 1.952 177.310 175.328 0.049 0.000 1.087 406 H CA 1.967 58.011 56.048 -0.007 0.000 1.319 406 H CB 0.040 29.781 29.762 -0.036 0.000 1.379 406 H HN 0.356 nan 8.280 nan 0.000 0.501 407 E N -0.338 119.835 120.200 -0.045 0.000 2.085 407 E HA -0.132 4.219 4.350 0.001 0.000 0.194 407 E C 2.302 178.837 176.600 -0.109 0.000 0.994 407 E CA 1.593 57.930 56.400 -0.105 0.000 0.801 407 E CB -0.542 29.137 29.700 -0.033 0.000 0.743 407 E HN 0.562 nan 8.360 nan 0.000 0.453 408 T N 0.778 115.298 114.554 -0.056 0.000 2.684 408 T HA -0.211 4.139 4.350 0.001 0.000 0.267 408 T C 1.744 176.377 174.700 -0.112 0.000 1.036 408 T CA 1.601 63.659 62.100 -0.070 0.000 1.148 408 T CB -0.571 68.288 68.868 -0.015 0.000 0.863 408 T HN 0.282 nan 8.240 nan 0.000 0.436 409 Y N 1.932 122.118 120.300 -0.190 0.000 2.145 409 Y HA -0.140 4.411 4.550 0.001 0.000 0.286 409 Y C 2.356 178.104 175.900 -0.254 0.000 1.145 409 Y CA 1.434 59.408 58.100 -0.211 0.000 1.148 409 Y CB -0.183 38.186 38.460 -0.152 0.000 0.981 409 Y HN 0.032 nan 8.280 nan 0.000 0.507 410 K N -0.137 120.111 120.400 -0.253 0.000 2.152 410 K HA -0.227 4.094 4.320 0.001 0.000 0.206 410 K C 2.378 178.794 176.600 -0.306 0.000 1.048 410 K CA 1.477 57.581 56.287 -0.304 0.000 0.933 410 K CB -0.198 32.142 32.500 -0.267 0.000 0.721 410 K HN 0.299 nan 8.250 nan 0.000 0.447 411 R N 0.722 121.056 120.500 -0.276 0.000 2.092 411 R HA 0.002 4.343 4.340 0.001 0.000 0.231 411 R C 0.564 176.662 176.300 -0.336 0.000 1.119 411 R CA 0.495 56.443 56.100 -0.254 0.000 0.970 411 R CB -0.091 30.086 30.300 -0.206 0.000 0.864 411 R HN 0.072 nan 8.270 nan 0.000 0.440 412 L N 0.781 121.731 121.223 -0.455 0.000 2.453 412 L HA 0.006 4.347 4.340 0.001 0.000 0.261 412 L C 1.148 177.711 176.870 -0.511 0.000 1.179 412 L CA -0.162 54.320 54.840 -0.596 0.000 0.813 412 L CB 0.512 42.077 42.059 -0.823 0.000 1.110 412 L HN 0.060 nan 8.230 nan 0.000 0.466 413 D N 0.265 120.394 120.400 -0.453 0.000 2.317 413 D HA -0.015 4.626 4.640 0.001 0.000 0.211 413 D C 0.340 176.467 176.300 -0.289 0.000 0.966 413 D CA 0.705 54.520 54.000 -0.308 0.000 0.876 413 D CB 0.394 41.066 40.800 -0.214 0.000 0.927 413 D HN 0.317 nan 8.370 nan 0.000 0.519 414 V N -1.159 118.540 119.914 -0.359 0.000 2.834 414 V HA 0.548 4.669 4.120 0.001 0.000 0.313 414 V C 0.992 176.964 176.094 -0.203 0.000 1.060 414 V CA -0.321 61.854 62.300 -0.208 0.000 0.989 414 V CB 1.766 33.538 31.823 -0.086 0.000 1.041 414 V HN -0.010 nan 8.190 nan 0.000 0.459 415 T N -1.181 113.354 114.554 -0.031 0.000 2.986 415 T HA 0.303 4.654 4.350 0.001 0.000 0.264 415 T C 0.313 175.090 174.700 0.128 0.000 0.964 415 T CA 0.442 62.600 62.100 0.095 0.000 0.895 415 T CB -0.174 68.745 68.868 0.085 0.000 1.163 415 T HN 1.140 nan 8.240 nan 0.000 0.517 416 Q N 0.286 120.139 119.800 0.088 0.000 2.511 416 Q HA 0.511 4.852 4.340 0.001 0.000 0.289 416 Q C -1.081 174.953 176.000 0.057 0.000 1.021 416 Q CA -1.246 54.601 55.803 0.074 0.000 0.785 416 Q CB 1.812 30.596 28.738 0.078 0.000 1.472 416 Q HN 0.172 nan 8.270 nan 0.000 0.411 417 R N 1.275 121.761 120.500 -0.024 0.000 2.570 417 R HA 0.094 4.435 4.340 0.001 0.000 0.277 417 R C -1.065 175.216 176.300 -0.031 0.000 1.039 417 R CA 0.370 56.388 56.100 -0.137 0.000 1.065 417 R CB 0.337 30.319 30.300 -0.530 0.000 0.964 417 R HN 0.727 nan 8.270 nan 0.000 0.428 418 N N 2.716 121.407 118.700 -0.014 0.000 2.581 418 N HA 0.121 4.861 4.740 0.001 0.000 0.279 418 N C -1.273 174.255 175.510 0.031 0.000 1.124 418 N CA -0.574 52.515 53.050 0.065 0.000 0.833 418 N CB 1.622 40.171 38.487 0.104 0.000 1.338 418 N HN 0.520 nan 8.380 nan 0.000 0.533 419 D N 1.787 122.234 120.400 0.078 0.000 2.355 419 D HA 0.161 4.802 4.640 0.001 0.000 0.218 419 D C 1.546 177.901 176.300 0.091 0.000 1.004 419 D CA 0.487 54.526 54.000 0.067 0.000 0.880 419 D CB 0.351 41.233 40.800 0.136 0.000 0.911 419 D HN 0.645 nan 8.370 nan 0.000 0.528 420 A N 0.719 123.662 122.820 0.204 0.000 1.929 420 A HA -0.099 4.222 4.320 0.001 0.000 0.216 420 A C 2.039 179.727 177.584 0.174 0.000 1.176 420 A CA 0.701 52.929 52.037 0.319 0.000 0.628 420 A CB -0.393 18.859 19.000 0.421 0.000 0.816 420 A HN 0.143 nan 8.150 nan 0.000 0.444 421 M N 0.409 120.082 119.600 0.121 0.000 2.082 421 M HA -0.207 4.273 4.480 0.001 0.000 0.258 421 M C 2.195 178.566 176.300 0.118 0.000 1.069 421 M CA 2.269 57.631 55.300 0.104 0.000 1.102 421 M CB -0.861 31.797 32.600 0.098 0.000 1.336 421 M HN 0.415 nan 8.290 nan 0.000 0.404 422 A N -0.003 122.854 122.820 0.061 0.000 2.015 422 A HA -0.124 4.196 4.320 0.001 0.000 0.219 422 A C 1.935 179.627 177.584 0.181 0.000 1.163 422 A CA 1.242 53.336 52.037 0.095 0.000 0.646 422 A CB -0.497 18.409 19.000 -0.157 0.000 0.806 422 A HN 0.559 nan 8.150 nan 0.000 0.448 423 M N -0.171 119.423 119.600 -0.010 0.000 2.296 423 M HA -0.112 4.369 4.480 0.001 0.000 0.265 423 M C 1.950 178.241 176.300 -0.015 0.000 1.064 423 M CA 0.984 56.166 55.300 -0.197 0.000 1.109 423 M CB -1.178 30.877 32.600 -0.909 0.000 1.396 423 M HN 0.439 nan 8.290 nan 0.000 0.430 424 Q N -0.640 119.189 119.800 0.049 0.000 2.234 424 Q HA -0.172 4.169 4.340 0.001 0.000 0.206 424 Q C 1.830 177.772 176.000 -0.096 0.000 0.980 424 Q CA 1.585 57.380 55.803 -0.013 0.000 0.869 424 Q CB -0.896 27.772 28.738 -0.117 0.000 0.912 424 Q HN 0.574 nan 8.270 nan 0.000 0.436 425 Y N 0.033 120.368 120.300 0.058 0.000 2.373 425 Y HA -0.053 4.498 4.550 0.001 0.000 0.293 425 Y C 2.157 178.105 175.900 0.079 0.000 1.129 425 Y CA 0.672 58.815 58.100 0.071 0.000 1.226 425 Y CB 0.053 38.560 38.460 0.079 0.000 1.000 425 Y HN 0.015 nan 8.280 nan 0.000 0.549 426 L N -1.059 120.283 121.223 0.199 0.000 2.362 426 L HA 0.137 4.478 4.340 0.001 0.000 0.204 426 L C 0.010 176.932 176.870 0.087 0.000 1.060 426 L CA 0.408 55.316 54.840 0.114 0.000 0.827 426 L CB 0.352 42.441 42.059 0.050 0.000 1.027 426 L HN -0.029 nan 8.230 nan 0.000 0.474 427 I N 1.210 121.839 120.570 0.099 0.000 2.495 427 I HA 0.328 4.499 4.170 0.001 0.000 0.277 427 I C -2.539 173.678 176.117 0.168 0.000 1.045 427 I CA -2.257 59.140 61.300 0.162 0.000 1.135 427 I CB 0.847 39.036 38.000 0.314 0.000 1.241 427 I HN -0.251 nan 8.210 nan 0.000 0.469 428 P HA 0.223 nan 4.420 nan 0.000 0.267 428 P C 1.050 178.413 177.300 0.105 0.000 1.205 428 P CA 0.761 63.904 63.100 0.072 0.000 0.765 428 P CB 0.790 32.511 31.700 0.035 0.000 0.828 429 G N 1.671 110.535 108.800 0.108 0.000 2.199 429 G HA2 -0.258 3.703 3.960 0.001 0.000 0.254 429 G HA3 -0.258 3.703 3.960 0.001 0.000 0.254 429 G C -0.012 174.983 174.900 0.158 0.000 0.982 429 G CA -0.422 44.742 45.100 0.105 0.000 0.632 429 G HN 0.538 nan 8.290 nan 0.000 0.529 430 W N 2.302 123.624 121.300 0.037 0.000 2.484 430 W HA 0.416 5.076 4.660 0.001 0.000 0.337 430 W C 0.544 177.107 176.519 0.075 0.000 1.214 430 W CA 1.157 58.538 57.345 0.060 0.000 1.296 430 W CB 0.338 29.846 29.460 0.080 0.000 1.174 430 W HN 0.343 nan 8.180 nan 0.000 0.564 431 E N 4.680 124.547 120.200 -0.555 0.000 2.312 431 E HA 0.220 4.571 4.350 0.001 0.000 0.267 431 E C -1.312 174.581 176.600 -1.179 0.000 0.894 431 E CA -1.420 54.667 56.400 -0.522 0.000 0.773 431 E CB 1.584 31.127 29.700 -0.262 0.000 1.241 431 E HN 0.252 nan 8.360 nan 0.000 0.432 432 F N 2.405 121.894 119.950 -0.767 0.000 2.538 432 F HA 0.154 4.681 4.527 0.001 0.000 0.371 432 F C -0.248 175.338 175.800 -0.357 0.000 1.087 432 F CA 0.130 57.803 58.000 -0.545 0.000 1.250 432 F CB 0.540 39.489 39.000 -0.085 0.000 1.110 432 F HN 0.217 nan 8.300 nan 0.000 0.570 433 D N 8.510 128.255 120.400 -1.091 0.000 2.476 433 D HA 0.285 4.926 4.640 0.001 0.000 0.251 433 D C -2.090 173.649 176.300 -0.935 0.000 1.291 433 D CA -2.150 51.312 54.000 -0.896 0.000 0.939 433 D CB 1.944 42.463 40.800 -0.469 0.000 1.221 433 D HN 0.226 nan 8.370 nan 0.000 0.567 434 P HA -0.099 nan 4.420 nan 0.000 0.223 434 P C 0.427 177.613 177.300 -0.191 0.000 1.144 434 P CA 0.731 63.547 63.100 -0.473 0.000 0.783 434 P CB 0.436 32.017 31.700 -0.197 0.000 0.771 435 K N -0.885 119.406 120.400 -0.183 0.000 2.478 435 K HA 0.193 4.514 4.320 0.001 0.000 0.205 435 K C 0.612 177.198 176.600 -0.024 0.000 1.033 435 K CA -0.196 56.053 56.287 -0.063 0.000 1.091 435 K CB 1.142 33.614 32.500 -0.046 0.000 0.844 435 K HN 0.054 nan 8.250 nan 0.000 0.507 436 R N 1.979 122.446 120.500 -0.055 0.000 2.502 436 R HA 0.314 4.655 4.340 0.001 0.000 0.298 436 R C -3.038 173.305 176.300 0.071 0.000 1.018 436 R CA -1.876 54.227 56.100 0.004 0.000 0.899 436 R CB 1.561 31.824 30.300 -0.061 0.000 1.181 436 R HN -0.156 nan 8.270 nan 0.000 0.444 437 P HA 0.030 nan 4.420 nan 0.000 0.265 437 P C 0.384 177.821 177.300 0.228 0.000 1.193 437 P CA 0.247 63.465 63.100 0.197 0.000 0.765 437 P CB 0.767 32.609 31.700 0.237 0.000 0.823 438 A N 3.996 126.993 122.820 0.296 0.000 1.958 438 A HA -0.183 4.138 4.320 0.001 0.000 0.221 438 A C 1.688 179.529 177.584 0.429 0.000 1.178 438 A CA 1.723 54.043 52.037 0.472 0.000 0.642 438 A CB -1.188 18.016 19.000 0.340 0.000 0.816 438 A HN 0.591 nan 8.150 nan 0.000 0.453 439 L N -0.473 120.885 121.223 0.225 0.000 2.640 439 L HA 0.161 4.502 4.340 0.001 0.000 0.230 439 L C -0.335 176.617 176.870 0.136 0.000 1.123 439 L CA -0.376 54.558 54.840 0.156 0.000 0.900 439 L CB 0.676 42.773 42.059 0.063 0.000 1.146 439 L HN 0.067 nan 8.230 nan 0.000 0.484 440 V N 0.752 120.753 119.914 0.145 0.000 2.498 440 V HA 0.164 4.285 4.120 0.001 0.000 0.279 440 V C 0.294 176.444 176.094 0.092 0.000 1.048 440 V CA -0.300 62.059 62.300 0.100 0.000 0.967 440 V CB 1.485 33.362 31.823 0.091 0.000 0.988 440 V HN 0.235 nan 8.190 nan 0.000 0.473 441 E N 0.000 120.240 120.200 0.066 0.000 2.725 441 E HA 0.000 4.351 4.350 0.001 0.000 0.291 441 E CA 0.000 56.431 56.400 0.052 0.000 0.976 441 E CB 0.000 29.735 29.700 0.059 0.000 0.812 441 E HN 0.000 nan 8.360 nan 0.000 0.440