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 3igv_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.560 174.600 -0.066 0.000 1.055 1 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 1 S CB 0.000 63.165 63.200 -0.058 0.000 0.593 2 M N 3.171 122.725 119.600 -0.076 0.000 2.200 2 M HA 0.284 4.764 4.480 0.000 0.000 0.355 2 M C 1.850 178.028 176.300 -0.204 0.000 1.283 2 M CA -0.084 55.153 55.300 -0.105 0.000 1.124 2 M CB 0.615 33.176 32.600 -0.065 0.000 1.625 2 M HN 1.044 nan 8.290 nan 0.000 0.463 3 S N 2.754 118.266 115.700 -0.314 0.000 2.399 3 S HA -0.076 4.394 4.470 0.000 0.000 0.231 3 S C 0.068 174.230 174.600 -0.731 0.000 1.022 3 S CA 0.897 58.784 58.200 -0.522 0.000 0.983 3 S CB -0.148 62.665 63.200 -0.645 0.000 0.803 3 S HN 0.633 nan 8.310 nan 0.000 0.480 4 Y N 0.278 120.400 120.300 -0.296 0.000 2.504 4 Y HA 0.534 5.084 4.550 0.000 0.000 0.344 4 Y C -0.342 175.213 175.900 -0.575 0.000 1.023 4 Y CA -0.972 56.806 58.100 -0.536 0.000 1.020 4 Y CB 2.093 40.096 38.460 -0.761 0.000 1.282 4 Y HN -0.122 nan 8.280 nan 0.000 0.454 5 T N 1.987 116.269 114.554 -0.454 0.000 2.807 5 T HA 0.414 4.764 4.350 0.000 0.000 0.279 5 T C -1.263 173.167 174.700 -0.450 0.000 0.993 5 T CA -0.766 61.133 62.100 -0.334 0.000 0.970 5 T CB 0.528 69.324 68.868 -0.120 0.000 0.950 5 T HN 0.440 nan 8.240 nan 0.000 0.441 6 W N 1.531 122.887 121.300 0.093 0.000 2.573 6 W HA 0.386 5.046 4.660 0.000 0.000 0.326 6 W C 1.634 178.183 176.519 0.049 0.000 1.049 6 W CA -0.971 56.413 57.345 0.065 0.000 1.220 6 W CB 1.025 30.507 29.460 0.037 0.000 1.373 6 W HN 0.824 nan 8.180 nan 0.000 0.507 7 T N -1.431 113.286 114.554 0.271 0.000 2.812 7 T HA 0.197 4.547 4.350 0.000 0.000 0.264 7 T C 1.461 176.249 174.700 0.147 0.000 1.042 7 T CA 1.417 63.615 62.100 0.163 0.000 1.140 7 T CB -0.304 68.640 68.868 0.125 0.000 0.870 7 T HN 1.141 nan 8.240 nan 0.000 0.445 8 G N 0.714 109.609 108.800 0.159 0.000 2.370 8 G HA2 0.235 4.195 3.960 0.000 0.000 0.174 8 G HA3 0.235 4.195 3.960 0.000 0.000 0.174 8 G C 0.160 175.091 174.900 0.052 0.000 1.002 8 G CA -0.099 45.054 45.100 0.089 0.000 0.730 8 G HN 0.979 nan 8.290 nan 0.000 0.497 9 A N 0.735 123.597 122.820 0.070 0.000 2.354 9 A HA 0.776 5.096 4.320 0.000 0.000 0.269 9 A C 0.619 178.214 177.584 0.017 0.000 1.109 9 A CA -0.200 51.862 52.037 0.043 0.000 0.800 9 A CB 0.399 19.431 19.000 0.053 0.000 1.045 9 A HN 0.713 nan 8.150 nan 0.000 0.489 10 L N 1.957 123.176 121.223 -0.006 0.000 2.439 10 L HA 0.235 4.575 4.340 0.000 0.000 0.269 10 L C -0.010 176.844 176.870 -0.026 0.000 1.179 10 L CA -0.078 54.741 54.840 -0.035 0.000 0.828 10 L CB 0.510 42.551 42.059 -0.029 0.000 1.106 10 L HN 0.539 nan 8.230 nan 0.000 0.467 11 I N 1.563 122.101 120.570 -0.054 0.000 2.416 11 I HA 0.155 4.325 4.170 0.000 0.000 0.288 11 I C 0.431 176.539 176.117 -0.014 0.000 1.051 11 I CA -0.038 61.244 61.300 -0.030 0.000 1.375 11 I CB 0.830 38.797 38.000 -0.055 0.000 1.407 11 I HN 0.647 nan 8.210 nan 0.000 0.516 12 T N 4.346 118.902 114.554 0.003 0.000 2.912 12 T HA 0.652 5.002 4.350 0.000 0.000 0.288 12 T C -2.627 172.087 174.700 0.023 0.000 1.030 12 T CA -2.071 60.035 62.100 0.010 0.000 1.020 12 T CB 1.980 70.853 68.868 0.009 0.000 1.056 12 T HN 0.268 nan 8.240 nan 0.000 0.480 13 P HA 0.440 nan 4.420 nan 0.000 0.282 13 P C 0.174 177.495 177.300 0.036 0.000 1.259 13 P CA -0.759 62.364 63.100 0.037 0.000 0.826 13 P CB 1.189 32.913 31.700 0.039 0.000 1.064 14 C N 0.696 120.022 119.300 0.043 0.000 2.576 14 C HA 0.315 4.775 4.460 0.000 0.000 0.281 14 C C 1.684 176.693 174.990 0.033 0.000 1.292 14 C CA 1.286 60.326 59.018 0.037 0.000 1.697 14 C CB -0.910 26.856 27.740 0.043 0.000 2.109 14 C HN 0.668 nan 8.230 nan 0.000 0.497 15 A N 0.046 122.889 122.820 0.039 0.000 2.420 15 A HA 0.760 5.080 4.320 0.000 0.000 0.291 15 A C -0.015 177.596 177.584 0.045 0.000 1.228 15 A CA 0.235 52.296 52.037 0.040 0.000 0.933 15 A CB -0.267 18.760 19.000 0.044 0.000 1.428 15 A HN 0.598 nan 8.150 nan 0.000 0.493 16 A N -0.443 122.406 122.820 0.048 0.000 2.407 16 A HA 0.510 4.830 4.320 0.000 0.000 0.248 16 A C -0.150 177.479 177.584 0.074 0.000 1.082 16 A CA -0.037 52.034 52.037 0.055 0.000 0.785 16 A CB -0.180 18.851 19.000 0.052 0.000 1.020 16 A HN 0.683 nan 8.150 nan 0.000 0.489 17 E N 1.136 121.385 120.200 0.082 0.000 2.158 17 E HA 0.312 4.662 4.350 0.000 0.000 0.271 17 E C -1.066 175.619 176.600 0.142 0.000 0.911 17 E CA -0.357 56.108 56.400 0.108 0.000 0.767 17 E CB 1.549 31.302 29.700 0.088 0.000 1.120 17 E HN 0.710 nan 8.360 nan 0.000 0.405 18 E N 1.372 121.699 120.200 0.211 0.000 2.229 18 E HA 0.083 4.433 4.350 0.000 0.000 0.283 18 E C 0.335 177.166 176.600 0.385 0.000 1.030 18 E CA -0.147 56.413 56.400 0.265 0.000 0.836 18 E CB 1.158 31.020 29.700 0.271 0.000 1.068 18 E HN 0.541 nan 8.360 nan 0.000 0.401 19 S N 2.708 118.595 115.700 0.310 0.000 2.499 19 S HA 0.055 4.525 4.470 0.000 0.000 0.225 19 S C 0.668 175.530 174.600 0.437 0.000 1.050 19 S CA -0.103 58.308 58.200 0.351 0.000 0.928 19 S CB 0.289 63.634 63.200 0.241 0.000 0.803 19 S HN 0.178 nan 8.310 nan 0.000 0.506 20 K N 2.270 122.842 120.400 0.287 0.000 2.276 20 K HA 0.313 4.633 4.320 0.000 0.000 0.283 20 K C -0.489 176.124 176.600 0.022 0.000 1.044 20 K CA -0.670 55.730 56.287 0.188 0.000 0.944 20 K CB 1.145 33.697 32.500 0.088 0.000 1.012 20 K HN 0.326 nan 8.250 nan 0.000 0.472 21 L N 5.579 126.818 121.223 0.027 0.000 2.660 21 L HA 0.009 4.349 4.340 0.000 0.000 0.272 21 L C -2.227 174.362 176.870 -0.468 0.000 1.194 21 L CA -0.599 54.040 54.840 -0.335 0.000 0.945 21 L CB -0.284 41.770 42.059 -0.009 0.000 1.212 21 L HN 0.390 nan 8.230 nan 0.000 0.490 22 P HA 0.166 nan 4.420 nan 0.000 0.268 22 P C -0.980 176.088 177.300 -0.387 0.000 1.204 22 P CA 0.084 62.883 63.100 -0.501 0.000 0.768 22 P CB 0.482 31.833 31.700 -0.582 0.000 0.842 23 I N 3.415 123.814 120.570 -0.285 0.000 2.418 23 I HA 0.327 4.497 4.170 0.000 0.000 0.287 23 I C 0.336 176.344 176.117 -0.181 0.000 1.008 23 I CA -0.716 60.418 61.300 -0.276 0.000 1.104 23 I CB 1.276 39.094 38.000 -0.304 0.000 1.264 23 I HN 0.453 nan 8.210 nan 0.000 0.438 24 N N 4.647 123.254 118.700 -0.156 0.000 3.091 24 N HA 0.459 5.199 4.740 0.000 0.000 0.329 24 N C 0.515 175.980 175.510 -0.076 0.000 1.430 24 N CA -0.516 52.473 53.050 -0.101 0.000 0.755 24 N CB 0.754 39.186 38.487 -0.092 0.000 1.626 24 N HN 0.375 nan 8.380 nan 0.000 0.614 25 A N -0.612 122.176 122.820 -0.055 0.000 2.178 25 A HA 0.086 4.406 4.320 0.000 0.000 0.218 25 A C 1.658 179.222 177.584 -0.033 0.000 1.157 25 A CA 0.866 52.879 52.037 -0.039 0.000 0.689 25 A CB -0.918 18.062 19.000 -0.034 0.000 0.787 25 A HN 0.563 nan 8.150 nan 0.000 0.465 26 L N -1.346 119.854 121.223 -0.038 0.000 2.554 26 L HA 0.042 4.382 4.340 0.000 0.000 0.225 26 L C 2.367 179.259 176.870 0.038 0.000 1.104 26 L CA 0.444 55.276 54.840 -0.015 0.000 0.866 26 L CB -0.032 41.993 42.059 -0.056 0.000 1.047 26 L HN 0.221 nan 8.230 nan 0.000 0.468 27 S N 0.536 116.233 115.700 -0.006 0.000 2.348 27 S HA -0.136 4.334 4.470 0.000 0.000 0.221 27 S C 1.694 176.334 174.600 0.066 0.000 1.033 27 S CA 1.365 59.561 58.200 -0.007 0.000 1.010 27 S CB -0.281 62.839 63.200 -0.133 0.000 0.891 27 S HN 0.449 nan 8.310 nan 0.000 0.442 28 N N 1.788 120.537 118.700 0.083 0.000 2.289 28 N HA -0.077 4.663 4.740 0.000 0.000 0.184 28 N C 1.891 177.415 175.510 0.022 0.000 1.016 28 N CA 1.356 54.462 53.050 0.093 0.000 0.872 28 N CB -0.540 37.988 38.487 0.068 0.000 0.973 28 N HN 0.594 nan 8.380 nan 0.000 0.433 29 S N -0.160 115.548 115.700 0.014 0.000 2.447 29 S HA -0.061 4.409 4.470 0.000 0.000 0.233 29 S C 1.806 176.403 174.600 -0.004 0.000 1.006 29 S CA 0.491 58.671 58.200 -0.034 0.000 0.957 29 S CB -0.147 63.050 63.200 -0.005 0.000 0.773 29 S HN 0.228 nan 8.310 nan 0.000 0.507 30 L N -0.121 121.136 121.223 0.057 0.000 2.362 30 L HA 0.605 4.945 4.340 0.000 0.000 0.204 30 L C 0.075 177.002 176.870 0.095 0.000 1.060 30 L CA 0.730 55.609 54.840 0.065 0.000 0.827 30 L CB 0.296 42.161 42.059 -0.322 0.000 1.027 30 L HN 0.513 nan 8.230 nan 0.000 0.474 31 L N -1.194 120.067 121.223 0.063 0.000 2.588 31 L HA 0.374 4.714 4.340 0.000 0.000 0.263 31 L C 0.295 177.184 176.870 0.031 0.000 0.935 31 L CA -0.495 54.376 54.840 0.052 0.000 0.891 31 L CB 1.189 43.304 42.059 0.093 0.000 1.318 31 L HN -0.121 nan 8.230 nan 0.000 0.409 32 R N 1.299 121.688 120.500 -0.184 0.000 2.075 32 R HA 0.142 4.482 4.340 0.000 0.000 0.220 32 R C -0.034 175.935 176.300 -0.551 0.000 1.118 32 R CA 0.660 56.532 56.100 -0.380 0.000 0.986 32 R CB -0.117 29.935 30.300 -0.413 0.000 0.884 32 R HN 0.679 nan 8.270 nan 0.000 0.439 33 H N 0.890 119.847 119.070 -0.188 0.000 3.224 33 H HA 0.076 4.632 4.556 0.000 0.000 0.265 33 H C 0.643 175.953 175.328 -0.031 0.000 1.461 33 H CA -0.173 55.792 56.048 -0.137 0.000 1.509 33 H CB -0.040 29.700 29.762 -0.036 0.000 1.686 33 H HN 0.358 nan 8.280 nan 0.000 0.514 34 H N 1.179 120.333 119.070 0.139 0.000 2.462 34 H HA -0.134 4.422 4.556 0.000 0.000 0.292 34 H C 1.699 177.102 175.328 0.125 0.000 1.049 34 H CA 0.809 56.919 56.048 0.104 0.000 1.334 34 H CB 0.322 30.119 29.762 0.058 0.000 1.404 34 H HN 0.655 nan 8.280 nan 0.000 0.544 35 N N 0.667 119.491 118.700 0.207 0.000 2.520 35 N HA -0.124 4.616 4.740 0.000 0.000 0.185 35 N C 1.289 176.897 175.510 0.164 0.000 1.068 35 N CA 0.868 54.012 53.050 0.157 0.000 0.911 35 N CB -0.150 38.392 38.487 0.092 0.000 0.961 35 N HN 0.304 nan 8.380 nan 0.000 0.446 36 M N 0.013 119.726 119.600 0.189 0.000 2.447 36 M HA 0.164 4.644 4.480 0.000 0.000 0.264 36 M C 0.006 176.477 176.300 0.284 0.000 1.095 36 M CA 0.250 55.667 55.300 0.195 0.000 1.125 36 M CB -0.024 32.683 32.600 0.177 0.000 1.389 36 M HN -0.062 nan 8.290 nan 0.000 0.459 37 V N 1.359 121.456 119.914 0.305 0.000 2.472 37 V HA 0.351 4.471 4.120 0.000 0.000 0.290 37 V C -0.666 175.705 176.094 0.462 0.000 1.037 37 V CA -0.696 61.810 62.300 0.343 0.000 0.908 37 V CB 1.048 33.047 31.823 0.294 0.000 0.985 37 V HN 0.412 nan 8.190 nan 0.000 0.454 38 Y N 2.225 122.680 120.300 0.258 0.000 2.638 38 Y HA 0.889 5.439 4.550 0.000 0.000 0.335 38 Y C -0.624 175.342 175.900 0.110 0.000 1.155 38 Y CA -1.480 56.780 58.100 0.267 0.000 1.046 38 Y CB 1.396 39.969 38.460 0.189 0.000 1.303 38 Y HN 0.724 nan 8.280 nan 0.000 0.460 39 A N 1.536 124.361 122.820 0.010 0.000 2.342 39 A HA 0.671 4.991 4.320 0.000 0.000 0.323 39 A C -0.156 177.450 177.584 0.037 0.000 1.125 39 A CA -0.406 51.432 52.037 -0.331 0.000 0.785 39 A CB 0.544 19.096 19.000 -0.746 0.000 1.221 39 A HN 1.184 nan 8.150 nan 0.000 0.463 40 T N 0.394 114.963 114.554 0.025 0.000 2.930 40 T HA 0.515 4.865 4.350 0.000 0.000 0.306 40 T C 0.425 175.177 174.700 0.087 0.000 1.045 40 T CA 0.470 62.667 62.100 0.163 0.000 1.134 40 T CB 0.438 69.427 68.868 0.201 0.000 0.961 40 T HN 1.351 nan 8.240 nan 0.000 0.545 41 T N -1.269 113.347 114.554 0.103 0.000 2.907 41 T HA 0.498 4.848 4.350 0.000 0.000 0.290 41 T C 1.399 176.131 174.700 0.054 0.000 1.066 41 T CA -0.302 61.842 62.100 0.073 0.000 1.012 41 T CB 1.363 70.282 68.868 0.084 0.000 1.184 41 T HN 0.726 nan 8.240 nan 0.000 0.522 42 S N -0.041 115.682 115.700 0.039 0.000 2.474 42 S HA -0.094 4.376 4.470 0.000 0.000 0.235 42 S C 1.746 176.349 174.600 0.005 0.000 0.997 42 S CA 0.193 58.404 58.200 0.018 0.000 0.949 42 S CB -0.655 62.555 63.200 0.017 0.000 0.766 42 S HN 0.713 nan 8.310 nan 0.000 0.517 43 R N 1.580 122.091 120.500 0.018 0.000 2.193 43 R HA -0.026 4.314 4.340 0.000 0.000 0.229 43 R C 1.899 178.198 176.300 -0.002 0.000 1.110 43 R CA 1.415 57.521 56.100 0.010 0.000 0.988 43 R CB -0.394 29.921 30.300 0.024 0.000 0.871 43 R HN 0.715 nan 8.270 nan 0.000 0.458 44 S N -1.159 114.545 115.700 0.006 0.000 2.568 44 S HA 0.270 4.740 4.470 0.000 0.000 0.232 44 S C 1.598 176.180 174.600 -0.030 0.000 0.975 44 S CA 0.065 58.263 58.200 -0.004 0.000 0.949 44 S CB 1.042 64.257 63.200 0.025 0.000 0.829 44 S HN 0.247 nan 8.310 nan 0.000 0.479 45 A N 2.070 124.861 122.820 -0.049 0.000 1.933 45 A HA 0.201 4.521 4.320 0.000 0.000 0.218 45 A C 2.250 179.732 177.584 -0.170 0.000 1.175 45 A CA 1.467 53.447 52.037 -0.096 0.000 0.628 45 A CB -1.622 17.318 19.000 -0.100 0.000 0.814 45 A HN 0.664 nan 8.150 nan 0.000 0.444 46 G N -0.312 108.392 108.800 -0.160 0.000 2.442 46 G HA2 -0.155 3.805 3.960 0.000 0.000 0.219 46 G HA3 -0.155 3.805 3.960 0.000 0.000 0.219 46 G C 1.381 176.183 174.900 -0.163 0.000 1.141 46 G CA 1.285 46.268 45.100 -0.195 0.000 0.763 46 G HN 0.396 nan 8.290 nan 0.000 0.554 47 L N -0.172 120.991 121.223 -0.100 0.000 2.109 47 L HA 0.182 4.522 4.340 0.000 0.000 0.207 47 L C 2.716 179.554 176.870 -0.052 0.000 1.086 47 L CA 1.129 55.932 54.840 -0.063 0.000 0.760 47 L CB -0.392 41.645 42.059 -0.036 0.000 0.910 47 L HN 0.121 nan 8.230 nan 0.000 0.437 48 R N -0.173 120.289 120.500 -0.063 0.000 2.075 48 R HA -0.128 4.212 4.340 0.000 0.000 0.232 48 R C 2.188 178.456 176.300 -0.052 0.000 1.126 48 R CA 1.461 57.540 56.100 -0.034 0.000 0.963 48 R CB -0.370 29.914 30.300 -0.027 0.000 0.858 48 R HN 0.409 nan 8.270 nan 0.000 0.435 49 Q N 0.254 119.940 119.800 -0.191 0.000 2.045 49 Q HA -0.218 4.122 4.340 0.000 0.000 0.206 49 Q C 2.018 178.007 176.000 -0.019 0.000 0.991 49 Q CA 2.363 57.995 55.803 -0.285 0.000 0.851 49 Q CB -0.184 28.030 28.738 -0.873 0.000 0.911 49 Q HN 0.336 nan 8.270 nan 0.000 0.418 50 K N 0.749 121.125 120.400 -0.040 0.000 2.044 50 K HA -0.192 4.128 4.320 0.000 0.000 0.210 50 K C 2.101 178.787 176.600 0.143 0.000 1.049 50 K CA 1.338 57.663 56.287 0.063 0.000 0.927 50 K CB -0.131 32.382 32.500 0.021 0.000 0.713 50 K HN 0.101 nan 8.250 nan 0.000 0.443 51 K N 0.573 121.044 120.400 0.118 0.000 2.032 51 K HA -0.135 4.185 4.320 0.000 0.000 0.209 51 K C 2.000 178.788 176.600 0.313 0.000 1.048 51 K CA 1.808 58.195 56.287 0.166 0.000 0.927 51 K CB -0.110 32.458 32.500 0.114 0.000 0.712 51 K HN 0.156 nan 8.250 nan 0.000 0.441 52 V N -1.448 118.650 119.914 0.306 0.000 3.623 52 V HA 0.056 4.176 4.120 0.000 0.000 0.271 52 V C 0.314 176.632 176.094 0.373 0.000 1.248 52 V CA 0.284 62.821 62.300 0.394 0.000 1.156 52 V CB 0.053 32.067 31.823 0.319 0.000 0.870 52 V HN -0.018 nan 8.190 nan 0.000 0.453 53 T N 4.447 119.245 114.554 0.407 0.000 2.781 53 T HA 0.706 5.056 4.350 0.000 0.000 0.305 53 T C -0.737 174.153 174.700 0.316 0.000 1.001 53 T CA -0.055 62.249 62.100 0.341 0.000 0.950 53 T CB 0.008 69.171 68.868 0.491 0.000 0.955 53 T HN 0.623 nan 8.240 nan 0.000 0.471 54 F N -0.271 119.771 119.950 0.154 0.000 2.713 54 F HA 0.677 5.204 4.527 -0.000 0.000 0.311 54 F C -0.985 174.844 175.800 0.049 0.000 1.141 54 F CA -1.668 56.386 58.000 0.090 0.000 0.939 54 F CB 0.833 39.880 39.000 0.078 0.000 1.325 54 F HN 0.173 nan 8.300 nan 0.000 0.453 55 D N 0.929 121.495 120.400 0.276 0.000 2.350 55 D HA 0.416 5.056 4.640 0.000 0.000 0.249 55 D C -0.874 175.559 176.300 0.222 0.000 1.119 55 D CA 0.056 54.146 54.000 0.150 0.000 0.886 55 D CB 0.848 41.712 40.800 0.106 0.000 1.195 55 D HN 0.560 nan 8.370 nan 0.000 0.437 56 R N 2.519 123.078 120.500 0.099 0.000 2.343 56 R HA 0.524 4.864 4.340 0.000 0.000 0.320 56 R C -0.801 175.528 176.300 0.048 0.000 0.956 56 R CA -0.489 55.672 56.100 0.103 0.000 0.836 56 R CB 1.078 31.398 30.300 0.034 0.000 1.151 56 R HN 0.401 nan 8.270 nan 0.000 0.450 57 L N 2.231 123.484 121.223 0.049 0.000 2.325 57 L HA 0.521 4.861 4.340 0.000 0.000 0.278 57 L C -0.250 176.622 176.870 0.003 0.000 1.023 57 L CA -0.627 54.222 54.840 0.015 0.000 0.811 57 L CB 1.840 43.905 42.059 0.010 0.000 1.249 57 L HN 0.464 nan 8.230 nan 0.000 0.431 58 Q N 2.123 121.912 119.800 -0.017 0.000 2.274 58 Q HA 0.491 4.831 4.340 0.000 0.000 0.268 58 Q C -1.780 174.191 176.000 -0.049 0.000 1.015 58 Q CA -0.436 55.349 55.803 -0.031 0.000 0.775 58 Q CB 2.741 31.450 28.738 -0.049 0.000 1.256 58 Q HN 0.416 nan 8.270 nan 0.000 0.442 59 V N 5.984 125.873 119.914 -0.041 0.000 2.305 59 V HA 0.361 4.481 4.120 0.000 0.000 0.275 59 V C -0.617 175.469 176.094 -0.014 0.000 1.020 59 V CA -0.466 61.808 62.300 -0.044 0.000 0.811 59 V CB 1.192 32.983 31.823 -0.053 0.000 1.031 59 V HN 0.701 nan 8.190 nan 0.000 0.439 60 L N 5.614 126.796 121.223 -0.070 0.000 2.257 60 L HA 0.551 4.891 4.340 0.000 0.000 0.290 60 L C 0.222 177.107 176.870 0.025 0.000 1.044 60 L CA -0.522 54.248 54.840 -0.117 0.000 0.810 60 L CB 1.204 42.988 42.059 -0.458 0.000 1.193 60 L HN 0.642 nan 8.230 nan 0.000 0.425 61 D N 0.803 121.301 120.400 0.163 0.000 2.530 61 D HA 0.092 4.732 4.640 0.000 0.000 0.282 61 D C 0.372 176.745 176.300 0.122 0.000 1.204 61 D CA -0.517 53.554 54.000 0.118 0.000 1.093 61 D CB 0.739 41.604 40.800 0.109 0.000 1.154 61 D HN 0.308 nan 8.370 nan 0.000 0.593 62 D N -1.430 118.980 120.400 0.017 0.000 2.149 62 D HA -0.132 4.508 4.640 0.000 0.000 0.201 62 D C 1.829 178.130 176.300 0.003 0.000 0.972 62 D CA 0.930 54.911 54.000 -0.031 0.000 0.835 62 D CB -0.081 40.643 40.800 -0.125 0.000 0.966 62 D HN 0.396 nan 8.370 nan 0.000 0.476 63 H N -0.086 119.052 119.070 0.115 0.000 2.352 63 H HA -0.174 4.382 4.556 0.000 0.000 0.299 63 H C 2.006 177.373 175.328 0.065 0.000 1.097 63 H CA 0.972 57.077 56.048 0.095 0.000 1.311 63 H CB -0.665 29.176 29.762 0.131 0.000 1.377 63 H HN 0.335 nan 8.280 nan 0.000 0.504 64 Y N 1.782 122.125 120.300 0.072 0.000 2.128 64 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 64 Y C 2.692 178.547 175.900 -0.075 0.000 1.154 64 Y CA 1.688 59.711 58.100 -0.130 0.000 1.149 64 Y CB -0.069 38.250 38.460 -0.235 0.000 0.976 64 Y HN -0.041 nan 8.280 nan 0.000 0.505 65 R N -0.106 120.450 120.500 0.093 0.000 2.115 65 R HA -0.116 4.224 4.340 0.000 0.000 0.226 65 R C 1.719 177.992 176.300 -0.046 0.000 1.100 65 R CA 1.275 57.381 56.100 0.009 0.000 0.980 65 R CB -0.212 30.139 30.300 0.084 0.000 0.875 65 R HN 0.391 nan 8.270 nan 0.000 0.445 66 D N 0.095 120.489 120.400 -0.009 0.000 2.097 66 D HA -0.124 4.516 4.640 0.000 0.000 0.195 66 D C 1.942 178.225 176.300 -0.028 0.000 0.989 66 D CA 1.063 55.062 54.000 -0.002 0.000 0.827 66 D CB -0.219 40.607 40.800 0.044 0.000 0.966 66 D HN -0.023 nan 8.370 nan 0.000 0.456 67 V N 1.137 121.016 119.914 -0.058 0.000 2.295 67 V HA -0.204 3.916 4.120 0.000 0.000 0.246 67 V C 2.473 178.504 176.094 -0.104 0.000 1.049 67 V CA 1.080 63.334 62.300 -0.077 0.000 1.024 67 V CB -0.501 31.245 31.823 -0.128 0.000 0.648 67 V HN 0.139 nan 8.190 nan 0.000 0.447 68 L N 0.537 121.629 121.223 -0.218 0.000 2.042 68 L HA -0.211 4.129 4.340 0.000 0.000 0.210 68 L C 2.386 179.189 176.870 -0.110 0.000 1.076 68 L CA 2.228 56.938 54.840 -0.217 0.000 0.749 68 L CB -0.847 41.003 42.059 -0.347 0.000 0.893 68 L HN 0.270 nan 8.230 nan 0.000 0.432 69 K N -0.536 119.817 120.400 -0.079 0.000 2.026 69 K HA -0.212 4.108 4.320 0.000 0.000 0.208 69 K C 1.981 178.564 176.600 -0.028 0.000 1.048 69 K CA 1.880 58.141 56.287 -0.043 0.000 0.929 69 K CB -0.125 32.359 32.500 -0.026 0.000 0.713 69 K HN 0.518 nan 8.250 nan 0.000 0.439 70 E N 0.255 120.444 120.200 -0.018 0.000 2.051 70 E HA -0.212 4.138 4.350 0.000 0.000 0.192 70 E C 2.118 178.716 176.600 -0.004 0.000 0.991 70 E CA 1.736 58.136 56.400 0.000 0.000 0.799 70 E CB -0.099 29.614 29.700 0.022 0.000 0.748 70 E HN 0.335 nan 8.360 nan 0.000 0.449 71 M N 0.619 120.215 119.600 -0.006 0.000 2.108 71 M HA -0.214 4.266 4.480 0.000 0.000 0.261 71 M C 2.205 178.479 176.300 -0.043 0.000 1.066 71 M CA 1.555 56.842 55.300 -0.023 0.000 1.107 71 M CB -0.207 32.379 32.600 -0.023 0.000 1.356 71 M HN -0.041 nan 8.290 nan 0.000 0.406 72 K N 0.197 120.570 120.400 -0.045 0.000 2.057 72 K HA -0.113 4.207 4.320 0.000 0.000 0.207 72 K C 2.132 178.716 176.600 -0.027 0.000 1.049 72 K CA 1.441 57.704 56.287 -0.040 0.000 0.931 72 K CB -0.286 32.190 32.500 -0.039 0.000 0.714 72 K HN 0.320 nan 8.250 nan 0.000 0.440 73 A N 1.932 124.739 122.820 -0.022 0.000 1.883 73 A HA -0.216 4.104 4.320 0.000 0.000 0.217 73 A C 1.920 179.493 177.584 -0.018 0.000 1.186 73 A CA 1.625 53.653 52.037 -0.015 0.000 0.624 73 A CB -0.292 18.703 19.000 -0.010 0.000 0.822 73 A HN 0.198 nan 8.150 nan 0.000 0.444 74 K N -0.512 119.873 120.400 -0.024 0.000 2.057 74 K HA 0.013 4.334 4.320 0.000 0.000 0.206 74 K C 2.318 178.895 176.600 -0.038 0.000 1.050 74 K CA 0.961 57.228 56.287 -0.033 0.000 0.935 74 K CB -0.331 32.142 32.500 -0.045 0.000 0.715 74 K HN 0.423 nan 8.250 nan 0.000 0.439 75 A N 1.711 124.506 122.820 -0.041 0.000 1.978 75 A HA -0.178 4.142 4.320 0.000 0.000 0.220 75 A C 2.074 179.649 177.584 -0.015 0.000 1.170 75 A CA 2.169 54.187 52.037 -0.032 0.000 0.636 75 A CB -0.601 18.383 19.000 -0.027 0.000 0.810 75 A HN 0.400 nan 8.150 nan 0.000 0.448 76 S N -0.591 115.101 115.700 -0.013 0.000 2.607 76 S HA -0.033 4.437 4.470 0.000 0.000 0.224 76 S C 1.419 176.015 174.600 -0.007 0.000 0.969 76 S CA 1.227 59.424 58.200 -0.005 0.000 0.927 76 S CB -0.907 62.291 63.200 -0.004 0.000 0.772 76 S HN 0.749 nan 8.310 nan 0.000 0.533 77 T N -1.134 113.412 114.554 -0.013 0.000 3.065 77 T HA 0.283 4.633 4.350 0.000 0.000 0.252 77 T C 0.480 175.171 174.700 -0.015 0.000 1.099 77 T CA -0.159 61.933 62.100 -0.013 0.000 1.063 77 T CB -0.364 68.493 68.868 -0.018 0.000 0.948 77 T HN 0.177 nan 8.240 nan 0.000 0.506 78 V N 2.069 121.973 119.914 -0.017 0.000 2.583 78 V HA 0.363 4.483 4.120 0.000 0.000 0.287 78 V C 0.139 176.229 176.094 -0.007 0.000 1.051 78 V CA -0.751 61.538 62.300 -0.019 0.000 1.010 78 V CB 1.107 32.914 31.823 -0.028 0.000 0.988 78 V HN 0.384 nan 8.190 nan 0.000 0.478 79 K N 3.662 124.057 120.400 -0.007 0.000 2.339 79 K HA 0.738 5.058 4.320 0.000 0.000 0.264 79 K C -0.579 176.021 176.600 0.000 0.000 0.986 79 K CA -0.372 55.916 56.287 0.001 0.000 0.866 79 K CB 1.369 33.871 32.500 0.003 0.000 1.103 79 K HN 0.849 nan 8.250 nan 0.000 0.441 80 A N 3.990 126.814 122.820 0.007 0.000 2.356 80 A HA 0.569 4.889 4.320 0.000 0.000 0.323 80 A C -1.206 176.391 177.584 0.023 0.000 1.119 80 A CA -0.916 51.126 52.037 0.008 0.000 0.790 80 A CB 0.933 19.931 19.000 -0.003 0.000 1.273 80 A HN 0.843 nan 8.150 nan 0.000 0.452 81 K N 1.292 121.709 120.400 0.029 0.000 2.221 81 K HA 0.764 5.084 4.320 0.000 0.000 0.243 81 K C -1.201 175.423 176.600 0.040 0.000 0.968 81 K CA -0.704 55.603 56.287 0.033 0.000 0.846 81 K CB 1.329 33.845 32.500 0.026 0.000 1.141 81 K HN 0.489 nan 8.250 nan 0.000 0.434 82 L N 2.432 123.673 121.223 0.030 0.000 2.367 82 L HA 0.153 4.493 4.340 0.000 0.000 0.275 82 L C -0.416 176.431 176.870 -0.037 0.000 1.129 82 L CA -0.953 53.889 54.840 0.004 0.000 0.839 82 L CB 0.499 42.554 42.059 -0.007 0.000 1.133 82 L HN 0.488 nan 8.230 nan 0.000 0.453 83 L N 3.217 124.405 121.223 -0.058 0.000 2.380 83 L HA 0.140 4.480 4.340 0.000 0.000 0.273 83 L C 0.660 177.421 176.870 -0.182 0.000 1.138 83 L CA 0.503 55.287 54.840 -0.093 0.000 0.832 83 L CB 1.340 43.349 42.059 -0.084 0.000 1.124 83 L HN 0.699 nan 8.230 nan 0.000 0.454 84 S N 2.131 117.737 115.700 -0.157 0.000 2.593 84 S HA 0.178 4.648 4.470 0.000 0.000 0.269 84 S C 1.449 175.915 174.600 -0.224 0.000 1.334 84 S CA -0.726 57.362 58.200 -0.187 0.000 1.015 84 S CB 0.845 63.974 63.200 -0.119 0.000 0.912 84 S HN 0.350 nan 8.310 nan 0.000 0.541 85 V N 2.048 121.800 119.914 -0.269 0.000 2.278 85 V HA -0.251 3.869 4.120 0.000 0.000 0.251 85 V C 2.642 178.623 176.094 -0.189 0.000 1.062 85 V CA 2.618 64.746 62.300 -0.286 0.000 1.038 85 V CB -1.426 30.182 31.823 -0.357 0.000 0.646 85 V HN 0.898 nan 8.190 nan 0.000 0.447 86 E N 0.146 120.263 120.200 -0.139 0.000 2.038 86 E HA -0.231 4.119 4.350 0.000 0.000 0.195 86 E C 2.184 178.717 176.600 -0.110 0.000 1.000 86 E CA 1.755 58.093 56.400 -0.104 0.000 0.803 86 E CB -0.376 29.279 29.700 -0.075 0.000 0.750 86 E HN 0.708 nan 8.360 nan 0.000 0.448 87 E N 0.272 120.402 120.200 -0.117 0.000 2.058 87 E HA -0.217 4.133 4.350 0.000 0.000 0.194 87 E C 2.068 178.565 176.600 -0.171 0.000 0.997 87 E CA 1.121 57.445 56.400 -0.127 0.000 0.801 87 E CB -0.244 29.385 29.700 -0.117 0.000 0.746 87 E HN 0.296 nan 8.360 nan 0.000 0.450 88 A N 0.704 123.414 122.820 -0.183 0.000 1.933 88 A HA -0.203 4.117 4.320 0.000 0.000 0.218 88 A C 2.400 179.885 177.584 -0.164 0.000 1.175 88 A CA 1.237 53.156 52.037 -0.197 0.000 0.628 88 A CB -0.845 18.050 19.000 -0.176 0.000 0.814 88 A HN 0.380 nan 8.150 nan 0.000 0.444 89 C N -0.170 119.049 119.300 -0.136 0.000 2.425 89 C HA -0.052 4.408 4.460 0.000 0.000 0.277 89 C C 2.531 177.459 174.990 -0.104 0.000 1.280 89 C CA 1.156 60.111 59.018 -0.106 0.000 1.744 89 C CB -0.724 26.960 27.740 -0.094 0.000 1.989 89 C HN 0.504 nan 8.230 nan 0.000 0.491 90 K N 1.012 121.349 120.400 -0.105 0.000 2.362 90 K HA 0.043 4.363 4.320 0.000 0.000 0.200 90 K C 1.488 178.043 176.600 -0.076 0.000 1.046 90 K CA 0.884 57.124 56.287 -0.078 0.000 0.952 90 K CB -0.455 32.005 32.500 -0.067 0.000 0.753 90 K HN 0.545 nan 8.250 nan 0.000 0.466 91 L N 0.930 122.062 121.223 -0.152 0.000 2.558 91 L HA 0.023 4.363 4.340 0.000 0.000 0.225 91 L C 0.348 177.128 176.870 -0.150 0.000 1.128 91 L CA 0.133 54.847 54.840 -0.210 0.000 0.868 91 L CB -0.168 41.649 42.059 -0.402 0.000 1.006 91 L HN -0.085 nan 8.230 nan 0.000 0.454 92 T N 1.954 116.435 114.554 -0.122 0.000 2.814 92 T HA 0.190 4.540 4.350 0.000 0.000 0.297 92 T C -2.286 172.300 174.700 -0.190 0.000 0.956 92 T CA -1.070 60.956 62.100 -0.123 0.000 1.123 92 T CB 0.942 69.751 68.868 -0.098 0.000 0.902 92 T HN -0.125 nan 8.240 nan 0.000 0.528 93 P HA 0.103 nan 4.420 nan 0.000 0.265 93 P C -1.902 175.174 177.300 -0.373 0.000 1.193 93 P CA -1.230 61.678 63.100 -0.319 0.000 0.765 93 P CB 0.192 31.818 31.700 -0.124 0.000 0.823 94 P HA -0.131 nan 4.420 nan 0.000 0.218 94 P C 0.606 177.614 177.300 -0.486 0.000 1.149 94 P CA 1.614 64.405 63.100 -0.515 0.000 0.817 94 P CB -0.078 31.244 31.700 -0.629 0.000 0.785 95 H N -1.722 117.236 119.070 -0.186 0.000 2.507 95 H HA 0.267 4.823 4.556 0.000 0.000 0.294 95 H C 0.457 175.714 175.328 -0.117 0.000 1.064 95 H CA -0.123 55.853 56.048 -0.121 0.000 1.138 95 H CB 0.108 29.815 29.762 -0.092 0.000 1.515 95 H HN 0.076 nan 8.280 nan 0.000 0.547 96 S N 1.114 116.770 115.700 -0.072 0.000 2.576 96 S HA 0.361 4.831 4.470 0.000 0.000 0.276 96 S C 0.615 175.165 174.600 -0.084 0.000 1.339 96 S CA -0.633 57.512 58.200 -0.091 0.000 1.039 96 S CB 0.548 63.686 63.200 -0.103 0.000 0.902 96 S HN 0.495 nan 8.310 nan 0.000 0.516 97 A N 4.469 127.224 122.820 -0.109 0.000 2.546 97 A HA 0.242 4.562 4.320 0.000 0.000 0.243 97 A C 0.590 178.146 177.584 -0.048 0.000 1.063 97 A CA -0.144 51.849 52.037 -0.074 0.000 0.757 97 A CB -0.287 18.652 19.000 -0.100 0.000 0.991 97 A HN 0.882 nan 8.150 nan 0.000 0.503 98 K N 2.250 122.619 120.400 -0.053 0.000 2.336 98 K HA 0.309 4.629 4.320 0.000 0.000 0.262 98 K C 0.358 176.871 176.600 -0.145 0.000 0.992 98 K CA 0.003 56.228 56.287 -0.104 0.000 0.927 98 K CB 0.359 32.803 32.500 -0.094 0.000 0.956 98 K HN 0.411 nan 8.250 nan 0.000 0.495 99 S N 0.023 115.531 115.700 -0.321 0.000 2.617 99 S HA 0.099 4.569 4.470 0.000 0.000 0.269 99 S C 0.406 174.810 174.600 -0.327 0.000 1.292 99 S CA -0.687 57.281 58.200 -0.386 0.000 1.010 99 S CB 0.688 63.302 63.200 -0.977 0.000 0.944 99 S HN 0.661 nan 8.310 nan 0.000 0.536 100 K N 1.528 121.702 120.400 -0.377 0.000 2.444 100 K HA 0.126 4.446 4.320 0.000 0.000 0.193 100 K C -0.384 175.772 176.600 -0.740 0.000 1.024 100 K CA 0.514 56.465 56.287 -0.561 0.000 1.077 100 K CB 0.026 32.113 32.500 -0.689 0.000 0.833 100 K HN 0.537 nan 8.250 nan 0.000 0.517 101 F N 0.257 120.060 119.950 -0.244 0.000 2.850 101 F HA 0.276 4.803 4.527 0.000 0.000 0.306 101 F C 0.988 176.747 175.800 -0.068 0.000 1.162 101 F CA -0.631 57.259 58.000 -0.184 0.000 1.327 101 F CB 0.825 39.608 39.000 -0.361 0.000 0.953 101 F HN 0.037 nan 8.300 nan 0.000 0.507 102 G N 0.967 109.760 108.800 -0.011 0.000 2.198 102 G HA2 -0.301 3.659 3.960 0.000 0.000 0.257 102 G HA3 -0.301 3.659 3.960 0.000 0.000 0.257 102 G C -0.442 174.550 174.900 0.153 0.000 1.042 102 G CA 0.304 45.434 45.100 0.051 0.000 0.791 102 G HN 0.622 nan 8.290 nan 0.000 0.502 103 Y N -2.473 117.825 120.300 -0.003 0.000 2.519 103 Y HA 0.746 5.296 4.550 0.000 0.000 0.336 103 Y C 0.391 176.289 175.900 -0.003 0.000 1.089 103 Y CA -1.102 56.996 58.100 -0.002 0.000 1.025 103 Y CB 0.697 39.160 38.460 0.005 0.000 1.318 103 Y HN 0.546 nan 8.280 nan 0.000 0.452 104 G N 0.458 109.305 108.800 0.079 0.000 2.753 104 G HA2 0.526 4.486 3.960 0.000 0.000 0.285 104 G HA3 0.526 4.486 3.960 0.000 0.000 0.285 104 G C 0.360 175.283 174.900 0.040 0.000 1.344 104 G CA -0.765 44.328 45.100 -0.011 0.000 1.050 104 G HN 1.154 nan 8.290 nan 0.000 0.532 105 A N -0.611 122.192 122.820 -0.029 0.000 1.930 105 A HA 0.025 4.345 4.320 0.000 0.000 0.217 105 A C 2.266 179.811 177.584 -0.066 0.000 1.175 105 A CA 1.981 53.987 52.037 -0.052 0.000 0.627 105 A CB -0.363 18.567 19.000 -0.116 0.000 0.815 105 A HN 0.480 nan 8.150 nan 0.000 0.443 106 K N 0.607 120.961 120.400 -0.077 0.000 2.057 106 K HA -0.108 4.212 4.320 0.000 0.000 0.207 106 K C 1.536 178.114 176.600 -0.036 0.000 1.049 106 K CA 1.645 57.884 56.287 -0.081 0.000 0.931 106 K CB -0.260 32.191 32.500 -0.081 0.000 0.714 106 K HN 0.494 nan 8.250 nan 0.000 0.440 107 D N -0.089 120.319 120.400 0.013 0.000 2.117 107 D HA -0.135 4.505 4.640 0.000 0.000 0.197 107 D C 1.919 178.230 176.300 0.017 0.000 0.987 107 D CA 1.053 55.073 54.000 0.034 0.000 0.829 107 D CB -0.309 40.552 40.800 0.102 0.000 0.961 107 D HN -0.054 nan 8.370 nan 0.000 0.460 108 V N 1.526 121.471 119.914 0.053 0.000 2.261 108 V HA -0.254 3.866 4.120 0.000 0.000 0.246 108 V C 2.546 178.619 176.094 -0.035 0.000 1.047 108 V CA 1.672 63.984 62.300 0.020 0.000 1.015 108 V CB -0.425 31.440 31.823 0.069 0.000 0.642 108 V HN 0.140 nan 8.190 nan 0.000 0.446 109 R N 0.324 120.791 120.500 -0.054 0.000 2.081 109 R HA -0.134 4.206 4.340 0.000 0.000 0.235 109 R C 2.110 178.375 176.300 -0.058 0.000 1.131 109 R CA 1.559 57.615 56.100 -0.074 0.000 0.960 109 R CB -0.545 29.690 30.300 -0.108 0.000 0.856 109 R HN 0.539 nan 8.270 nan 0.000 0.436 110 N N 1.002 119.672 118.700 -0.049 0.000 2.453 110 N HA -0.070 4.670 4.740 0.000 0.000 0.183 110 N C 0.520 176.006 175.510 -0.039 0.000 1.041 110 N CA 0.755 53.781 53.050 -0.040 0.000 0.900 110 N CB 0.090 38.557 38.487 -0.033 0.000 0.961 110 N HN 0.212 nan 8.380 nan 0.000 0.443 111 L N 0.672 121.867 121.223 -0.045 0.000 3.730 111 L HA -0.203 4.137 4.340 0.000 0.000 0.410 111 L C 0.321 177.163 176.870 -0.047 0.000 1.234 111 L CA -0.173 54.636 54.840 -0.050 0.000 0.911 111 L CB -2.533 39.499 42.059 -0.046 0.000 1.942 111 L HN 0.137 nan 8.230 nan 0.000 0.860 112 S N -0.962 114.710 115.700 -0.047 0.000 2.584 112 S HA 0.307 4.777 4.470 0.000 0.000 0.270 112 S C 1.478 176.043 174.600 -0.058 0.000 1.346 112 S CA -0.044 58.131 58.200 -0.042 0.000 1.018 112 S CB 1.734 64.917 63.200 -0.029 0.000 0.899 112 S HN 0.477 nan 8.310 nan 0.000 0.542 113 S N 1.714 117.388 115.700 -0.043 0.000 2.383 113 S HA -0.106 4.364 4.470 0.000 0.000 0.227 113 S C 1.743 176.306 174.600 -0.061 0.000 1.026 113 S CA 0.662 58.838 58.200 -0.040 0.000 0.981 113 S CB -0.487 62.699 63.200 -0.023 0.000 0.818 113 S HN 0.701 nan 8.310 nan 0.000 0.472 114 K N 1.792 122.151 120.400 -0.069 0.000 2.057 114 K HA 0.111 4.431 4.320 0.000 0.000 0.207 114 K C 2.341 178.777 176.600 -0.274 0.000 1.049 114 K CA 1.387 57.621 56.287 -0.088 0.000 0.931 114 K CB -0.828 31.659 32.500 -0.021 0.000 0.714 114 K HN 0.483 nan 8.250 nan 0.000 0.440 115 A N 0.403 122.985 122.820 -0.396 0.000 1.872 115 A HA -0.076 4.244 4.320 0.000 0.000 0.214 115 A C 2.362 179.687 177.584 -0.431 0.000 1.187 115 A CA 1.345 52.910 52.037 -0.786 0.000 0.614 115 A CB -0.569 18.163 19.000 -0.446 0.000 0.826 115 A HN 0.098 nan 8.150 nan 0.000 0.442 116 V N 0.817 120.605 119.914 -0.210 0.000 2.515 116 V HA -0.262 3.858 4.120 0.000 0.000 0.250 116 V C 2.110 178.200 176.094 -0.006 0.000 1.058 116 V CA 2.232 64.467 62.300 -0.108 0.000 1.064 116 V CB -1.128 30.669 31.823 -0.043 0.000 0.675 116 V HN 0.631 nan 8.190 nan 0.000 0.461 117 N N -1.045 117.647 118.700 -0.012 0.000 2.171 117 N HA -0.170 4.570 4.740 0.000 0.000 0.184 117 N C 1.989 177.519 175.510 0.034 0.000 1.021 117 N CA 0.960 54.039 53.050 0.047 0.000 0.854 117 N CB -0.213 38.282 38.487 0.015 0.000 0.994 117 N HN 0.556 nan 8.380 nan 0.000 0.426 118 H N 1.261 120.251 119.070 -0.134 0.000 2.389 118 H HA -0.008 4.548 4.556 0.000 0.000 0.299 118 H C 1.967 177.244 175.328 -0.086 0.000 1.081 118 H CA 1.106 57.080 56.048 -0.124 0.000 1.345 118 H CB 0.028 29.701 29.762 -0.148 0.000 1.393 118 H HN 0.203 nan 8.280 nan 0.000 0.520 119 I N 0.201 120.687 120.570 -0.141 0.000 2.286 119 I HA -0.287 3.883 4.170 0.000 0.000 0.248 119 I C 2.240 178.266 176.117 -0.152 0.000 1.115 119 I CA 1.362 62.569 61.300 -0.156 0.000 1.392 119 I CB -0.386 37.514 38.000 -0.168 0.000 1.065 119 I HN 0.320 nan 8.210 nan 0.000 0.418 120 H N -0.135 118.890 119.070 -0.074 0.000 2.389 120 H HA -0.126 4.430 4.556 0.000 0.000 0.299 120 H C 2.512 177.843 175.328 0.005 0.000 1.081 120 H CA 1.710 57.752 56.048 -0.011 0.000 1.345 120 H CB 0.099 29.843 29.762 -0.030 0.000 1.393 120 H HN 0.354 nan 8.280 nan 0.000 0.520 121 S N -0.301 115.409 115.700 0.016 0.000 2.428 121 S HA -0.086 4.384 4.470 0.000 0.000 0.230 121 S C 2.170 176.697 174.600 -0.122 0.000 1.014 121 S CA 0.922 59.085 58.200 -0.061 0.000 0.957 121 S CB -0.480 62.651 63.200 -0.115 0.000 0.784 121 S HN 0.138 nan 8.310 nan 0.000 0.499 122 V N 0.713 120.505 119.914 -0.203 0.000 2.379 122 V HA -0.063 4.057 4.120 0.000 0.000 0.245 122 V C 2.201 178.288 176.094 -0.010 0.000 1.044 122 V CA 1.540 63.742 62.300 -0.164 0.000 1.036 122 V CB -0.914 30.776 31.823 -0.221 0.000 0.664 122 V HN 0.724 nan 8.190 nan 0.000 0.453 123 W N 1.303 122.532 121.300 -0.119 0.000 2.381 123 W HA -0.184 4.476 4.660 0.000 0.000 0.301 123 W C 2.409 178.903 176.519 -0.042 0.000 1.205 123 W CA 2.062 59.366 57.345 -0.069 0.000 1.285 123 W CB -0.043 29.380 29.460 -0.063 0.000 1.133 123 W HN 0.225 nan 8.180 nan 0.000 0.521 124 K N 0.568 121.013 120.400 0.074 0.000 2.057 124 K HA -0.252 4.068 4.320 0.000 0.000 0.207 124 K C 1.764 178.301 176.600 -0.106 0.000 1.049 124 K CA 2.158 58.435 56.287 -0.017 0.000 0.931 124 K CB -0.553 31.974 32.500 0.045 0.000 0.714 124 K HN -0.008 nan 8.250 nan 0.000 0.440 125 D N 0.321 120.663 120.400 -0.095 0.000 2.123 125 D HA -0.179 4.461 4.640 0.000 0.000 0.196 125 D C 1.888 178.099 176.300 -0.148 0.000 0.992 125 D CA 1.214 55.150 54.000 -0.106 0.000 0.833 125 D CB 0.020 40.763 40.800 -0.096 0.000 0.954 125 D HN 0.191 nan 8.370 nan 0.000 0.455 126 L N -0.120 120.977 121.223 -0.210 0.000 2.083 126 L HA -0.132 4.208 4.340 0.000 0.000 0.209 126 L C 2.488 179.174 176.870 -0.305 0.000 1.083 126 L CA 0.615 55.294 54.840 -0.268 0.000 0.752 126 L CB -0.332 41.516 42.059 -0.353 0.000 0.899 126 L HN 0.235 nan 8.230 nan 0.000 0.433 127 L N -0.808 120.195 121.223 -0.366 0.000 2.109 127 L HA -0.160 4.180 4.340 0.000 0.000 0.207 127 L C 2.380 179.149 176.870 -0.169 0.000 1.086 127 L CA 1.195 55.858 54.840 -0.295 0.000 0.760 127 L CB -0.422 41.455 42.059 -0.304 0.000 0.910 127 L HN 0.288 nan 8.230 nan 0.000 0.437 128 E N -0.740 119.377 120.200 -0.137 0.000 2.112 128 E HA -0.110 4.240 4.350 0.000 0.000 0.190 128 E C 0.458 177.010 176.600 -0.079 0.000 0.979 128 E CA 0.497 56.844 56.400 -0.089 0.000 0.814 128 E CB 0.253 29.911 29.700 -0.070 0.000 0.762 128 E HN 0.205 nan 8.360 nan 0.000 0.460 129 D N -0.125 120.220 120.400 -0.090 0.000 2.408 129 D HA 0.057 4.697 4.640 0.000 0.000 0.243 129 D C -0.194 176.057 176.300 -0.080 0.000 1.075 129 D CA -0.227 53.730 54.000 -0.072 0.000 0.832 129 D CB 1.485 42.248 40.800 -0.062 0.000 1.162 129 D HN -0.027 nan 8.370 nan 0.000 0.515 130 T N 0.357 114.873 114.554 -0.063 0.000 3.182 130 T HA 0.211 4.561 4.350 0.000 0.000 0.277 130 T C 1.149 175.822 174.700 -0.044 0.000 1.013 130 T CA 0.281 62.344 62.100 -0.061 0.000 0.900 130 T CB -0.218 68.618 68.868 -0.054 0.000 1.098 130 T HN 0.218 nan 8.240 nan 0.000 0.543 131 V N -3.019 116.872 119.914 -0.037 0.000 3.229 131 V HA 0.360 4.480 4.120 0.000 0.000 0.239 131 V C 0.659 176.744 176.094 -0.015 0.000 1.390 131 V CA -0.070 62.216 62.300 -0.023 0.000 1.231 131 V CB -0.384 31.429 31.823 -0.017 0.000 1.025 131 V HN 0.267 nan 8.190 nan 0.000 0.461 132 T N 4.856 119.399 114.554 -0.019 0.000 2.754 132 T HA 0.306 4.656 4.350 0.000 0.000 0.282 132 T C -2.437 172.259 174.700 -0.007 0.000 0.923 132 T CA -0.238 61.858 62.100 -0.006 0.000 1.164 132 T CB 0.412 69.275 68.868 -0.008 0.000 0.873 132 T HN 0.373 nan 8.240 nan 0.000 0.537 133 P HA 0.111 nan 4.420 nan 0.000 0.265 133 P C -0.203 177.091 177.300 -0.010 0.000 1.187 133 P CA -0.003 63.101 63.100 0.007 0.000 0.766 133 P CB 0.369 32.108 31.700 0.065 0.000 0.820 134 I N 2.008 122.555 120.570 -0.039 0.000 2.385 134 I HA 0.171 4.341 4.170 0.000 0.000 0.294 134 I C 0.795 176.894 176.117 -0.030 0.000 0.988 134 I CA -0.554 60.730 61.300 -0.026 0.000 1.265 134 I CB 0.950 38.926 38.000 -0.039 0.000 1.388 134 I HN 0.298 nan 8.210 nan 0.000 0.480 135 D N 4.242 124.642 120.400 0.000 0.000 2.458 135 D HA 0.122 4.762 4.640 0.000 0.000 0.243 135 D C -0.144 176.129 176.300 -0.045 0.000 1.146 135 D CA 0.387 54.377 54.000 -0.017 0.000 0.877 135 D CB 0.730 41.538 40.800 0.014 0.000 1.176 135 D HN 0.631 nan 8.370 nan 0.000 0.461 136 T N -0.053 114.444 114.554 -0.095 0.000 2.924 136 T HA 0.612 4.962 4.350 0.000 0.000 0.291 136 T C -0.263 174.293 174.700 -0.240 0.000 1.045 136 T CA -0.945 61.061 62.100 -0.156 0.000 1.015 136 T CB 1.724 70.518 68.868 -0.123 0.000 1.103 136 T HN 0.196 nan 8.240 nan 0.000 0.496 137 T N 2.343 116.606 114.554 -0.485 0.000 2.794 137 T HA 0.546 4.896 4.350 0.000 0.000 0.280 137 T C -0.371 174.060 174.700 -0.449 0.000 0.987 137 T CA -0.578 61.208 62.100 -0.523 0.000 0.993 137 T CB 0.740 69.156 68.868 -0.754 0.000 0.939 137 T HN 0.727 nan 8.240 nan 0.000 0.449 138 I N 4.480 124.946 120.570 -0.173 0.000 2.339 138 I HA 0.457 4.627 4.170 0.000 0.000 0.290 138 I C -0.737 175.393 176.117 0.021 0.000 0.994 138 I CA -0.655 60.629 61.300 -0.028 0.000 1.191 138 I CB 0.384 38.425 38.000 0.069 0.000 1.343 138 I HN 0.406 nan 8.210 nan 0.000 0.458 139 M N 6.479 126.137 119.600 0.097 0.000 2.602 139 M HA 0.522 5.002 4.480 0.000 0.000 0.312 139 M C -0.476 175.886 176.300 0.103 0.000 1.181 139 M CA -0.648 54.726 55.300 0.123 0.000 0.910 139 M CB 1.935 34.671 32.600 0.228 0.000 1.723 139 M HN 0.591 nan 8.290 nan 0.000 0.459 140 A N 2.630 125.492 122.820 0.071 0.000 2.289 140 A HA 0.466 4.786 4.320 0.000 0.000 0.298 140 A C -0.115 177.506 177.584 0.062 0.000 1.208 140 A CA -0.541 51.530 52.037 0.057 0.000 0.845 140 A CB 0.387 19.405 19.000 0.030 0.000 1.125 140 A HN 0.768 nan 8.150 nan 0.000 0.517 141 K N 2.126 122.564 120.400 0.064 0.000 2.270 141 K HA 0.130 4.450 4.320 0.000 0.000 0.276 141 K C -0.652 175.955 176.600 0.011 0.000 1.023 141 K CA -0.416 55.897 56.287 0.042 0.000 0.955 141 K CB 0.502 33.031 32.500 0.047 0.000 0.975 141 K HN 0.665 nan 8.250 nan 0.000 0.471 142 N N 3.755 122.434 118.700 -0.034 0.000 2.521 142 N HA 0.103 4.843 4.740 0.000 0.000 0.236 142 N C -0.881 174.493 175.510 -0.227 0.000 1.067 142 N CA 0.058 53.046 53.050 -0.103 0.000 0.939 142 N CB 0.789 39.221 38.487 -0.091 0.000 1.201 142 N HN 0.444 nan 8.380 nan 0.000 0.511 143 E N 0.473 120.513 120.200 -0.266 0.000 2.222 143 E HA 0.396 4.746 4.350 0.000 0.000 0.267 143 E C -0.603 175.493 176.600 -0.841 0.000 0.884 143 E CA -0.908 55.187 56.400 -0.509 0.000 0.764 143 E CB 2.445 31.899 29.700 -0.410 0.000 1.169 143 E HN 0.079 nan 8.360 nan 0.000 0.413 144 V N 4.115 123.425 119.914 -1.007 0.000 2.432 144 V HA 0.371 4.491 4.120 0.000 0.000 0.275 144 V C -0.590 174.858 176.094 -1.075 0.000 1.043 144 V CA -0.063 61.660 62.300 -0.961 0.000 0.925 144 V CB -0.238 31.131 31.823 -0.757 0.000 0.985 144 V HN 0.514 nan 8.190 nan 0.000 0.466 145 F N 2.586 122.183 119.950 -0.589 0.000 2.764 145 F HA 0.684 5.211 4.527 0.000 0.000 0.347 145 F C 0.145 175.817 175.800 -0.214 0.000 1.151 145 F CA -0.837 56.932 58.000 -0.385 0.000 1.021 145 F CB 1.300 40.096 39.000 -0.340 0.000 1.438 145 F HN 0.498 nan 8.300 nan 0.000 0.516 146 C N 2.250 121.711 119.300 0.268 0.000 2.456 146 C HA 0.808 5.268 4.460 0.000 0.000 0.325 146 C C -0.229 174.987 174.990 0.377 0.000 1.217 146 C CA -0.765 58.433 59.018 0.299 0.000 1.687 146 C CB 0.220 28.062 27.740 0.169 0.000 2.270 146 C HN 0.723 nan 8.230 nan 0.000 0.499 147 V N 5.418 125.539 119.914 0.345 0.000 2.872 147 V HA 0.376 4.496 4.120 0.000 0.000 0.307 147 V C -0.219 175.933 176.094 0.097 0.000 1.072 147 V CA 0.344 62.746 62.300 0.170 0.000 1.148 147 V CB 0.276 32.127 31.823 0.047 0.000 0.954 147 V HN 0.977 nan 8.190 nan 0.000 0.490 155 K N 2.934 123.375 120.400 0.070 0.000 2.205 155 K HA 0.376 4.696 4.320 0.000 0.000 0.279 155 K C -2.294 174.346 176.600 0.065 0.000 1.027 155 K CA -1.791 54.481 56.287 -0.024 0.000 0.932 155 K CB 0.830 33.159 32.500 -0.285 0.000 1.032 155 K HN 0.165 nan 8.250 nan 0.000 0.466 156 P HA 0.032 nan 4.420 nan 0.000 0.275 156 P C -0.938 176.405 177.300 0.071 0.000 1.228 156 P CA -0.429 62.698 63.100 0.046 0.000 0.786 156 P CB 0.692 32.399 31.700 0.012 0.000 0.927 157 A N 3.387 126.257 122.820 0.084 0.000 2.540 157 A HA 0.072 4.392 4.320 0.000 0.000 0.239 157 A C 0.484 178.115 177.584 0.078 0.000 1.061 157 A CA 0.087 52.182 52.037 0.097 0.000 0.758 157 A CB -0.370 18.673 19.000 0.073 0.000 0.991 157 A HN 0.473 nan 8.150 nan 0.000 0.502 158 R N 0.700 121.263 120.500 0.105 0.000 2.594 158 R HA 0.331 4.671 4.340 0.000 0.000 0.272 158 R C -0.754 175.601 176.300 0.091 0.000 1.074 158 R CA -0.466 55.695 56.100 0.102 0.000 1.105 158 R CB 0.288 30.666 30.300 0.129 0.000 1.008 158 R HN 0.539 nan 8.270 nan 0.000 0.472 159 L N 3.375 124.654 121.223 0.094 0.000 2.312 159 L HA 0.374 4.714 4.340 0.000 0.000 0.281 159 L C -0.292 176.665 176.870 0.145 0.000 1.070 159 L CA -0.181 54.719 54.840 0.100 0.000 0.805 159 L CB 1.115 43.219 42.059 0.076 0.000 1.174 159 L HN 0.493 nan 8.230 nan 0.000 0.434 160 I N 3.441 124.112 120.570 0.169 0.000 2.406 160 I HA 0.524 4.694 4.170 0.000 0.000 0.290 160 I C -0.907 175.382 176.117 0.287 0.000 0.999 160 I CA -0.249 61.190 61.300 0.232 0.000 1.124 160 I CB 1.584 39.721 38.000 0.228 0.000 1.289 160 I HN 0.214 nan 8.210 nan 0.000 0.441 161 V N 8.929 129.008 119.914 0.275 0.000 2.409 161 V HA 0.601 4.721 4.120 0.000 0.000 0.291 161 V C -0.732 175.522 176.094 0.267 0.000 1.020 161 V CA -0.492 61.917 62.300 0.182 0.000 0.848 161 V CB 1.079 32.993 31.823 0.152 0.000 0.990 161 V HN 0.596 nan 8.190 nan 0.000 0.430 162 F N 4.944 124.939 119.950 0.075 0.000 2.641 162 F HA 0.907 5.434 4.527 -0.000 0.000 0.308 162 F C -3.135 172.703 175.800 0.063 0.000 1.105 162 F CA -2.581 55.463 58.000 0.074 0.000 0.964 162 F CB 1.691 40.731 39.000 0.067 0.000 1.294 162 F HN 0.299 nan 8.300 nan 0.000 0.442 163 P HA 0.186 nan 4.420 nan 0.000 0.278 163 P C -1.050 176.386 177.300 0.227 0.000 1.266 163 P CA -0.132 63.042 63.100 0.124 0.000 0.807 163 P CB 1.215 32.988 31.700 0.122 0.000 1.094 164 D N -0.516 119.992 120.400 0.181 0.000 2.400 164 D HA -0.057 4.583 4.640 0.000 0.000 0.238 164 D C 1.376 177.813 176.300 0.229 0.000 1.157 164 D CA -0.310 53.822 54.000 0.221 0.000 0.889 164 D CB 0.296 41.266 40.800 0.284 0.000 1.199 164 D HN 0.101 nan 8.370 nan 0.000 0.436 165 L N 3.680 125.012 121.223 0.181 0.000 2.089 165 L HA -0.061 4.279 4.340 0.000 0.000 0.213 165 L C 2.029 179.033 176.870 0.224 0.000 1.079 165 L CA 2.591 57.520 54.840 0.148 0.000 0.758 165 L CB -1.091 40.995 42.059 0.044 0.000 0.891 165 L HN 0.685 nan 8.230 nan 0.000 0.433 166 G N -1.322 107.678 108.800 0.334 0.000 2.440 166 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 166 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 166 G C 1.520 176.538 174.900 0.197 0.000 1.154 166 G CA 1.125 46.447 45.100 0.369 0.000 0.767 166 G HN 0.367 nan 8.290 nan 0.000 0.552 167 V N 0.774 120.797 119.914 0.182 0.000 2.307 167 V HA -0.160 3.960 4.120 0.000 0.000 0.245 167 V C 2.905 179.082 176.094 0.139 0.000 1.045 167 V CA 1.941 64.321 62.300 0.133 0.000 1.024 167 V CB -0.514 31.379 31.823 0.116 0.000 0.651 167 V HN 0.320 nan 8.190 nan 0.000 0.449 168 R N -0.188 120.402 120.500 0.150 0.000 2.117 168 R HA -0.146 4.194 4.340 0.000 0.000 0.243 168 R C 2.209 178.568 176.300 0.100 0.000 1.143 168 R CA 1.546 57.725 56.100 0.133 0.000 0.968 168 R CB -0.677 29.693 30.300 0.117 0.000 0.863 168 R HN 0.431 nan 8.270 nan 0.000 0.444 169 V N 0.299 120.266 119.914 0.088 0.000 2.427 169 V HA -0.283 3.837 4.120 0.000 0.000 0.248 169 V C 2.487 178.603 176.094 0.037 0.000 1.051 169 V CA 1.524 63.847 62.300 0.037 0.000 1.048 169 V CB -0.430 31.409 31.823 0.026 0.000 0.666 169 V HN 0.453 nan 8.190 nan 0.000 0.456 170 C N -0.203 119.158 119.300 0.101 0.000 2.446 170 C HA -0.129 4.331 4.460 0.000 0.000 0.277 170 C C 2.671 177.799 174.990 0.229 0.000 1.275 170 C CA 0.786 59.925 59.018 0.202 0.000 1.727 170 C CB -0.953 26.964 27.740 0.295 0.000 2.010 170 C HN 0.611 nan 8.230 nan 0.000 0.486 171 E N 0.853 121.165 120.200 0.187 0.000 2.097 171 E HA -0.265 4.085 4.350 0.000 0.000 0.196 171 E C 2.107 178.814 176.600 0.178 0.000 1.000 171 E CA 1.387 57.912 56.400 0.208 0.000 0.804 171 E CB -0.167 29.666 29.700 0.221 0.000 0.740 171 E HN 0.647 nan 8.360 nan 0.000 0.454 172 K N 0.145 120.619 120.400 0.124 0.000 2.097 172 K HA -0.107 4.213 4.320 0.000 0.000 0.206 172 K C 2.182 178.823 176.600 0.070 0.000 1.049 172 K CA 1.287 57.631 56.287 0.096 0.000 0.933 172 K CB -0.092 32.394 32.500 -0.023 0.000 0.717 172 K HN 0.123 nan 8.250 nan 0.000 0.442 173 M N 0.184 119.789 119.600 0.010 0.000 2.086 173 M HA -0.161 4.320 4.480 0.000 0.000 0.261 173 M C 2.415 178.738 176.300 0.038 0.000 1.067 173 M CA 1.806 57.044 55.300 -0.103 0.000 1.116 173 M CB -0.286 32.064 32.600 -0.417 0.000 1.348 173 M HN 0.224 nan 8.290 nan 0.000 0.407 174 A N -0.726 122.226 122.820 0.221 0.000 2.021 174 A HA 0.091 4.411 4.320 0.000 0.000 0.216 174 A C 1.786 179.451 177.584 0.136 0.000 1.163 174 A CA 1.057 53.261 52.037 0.277 0.000 0.676 174 A CB -0.123 19.093 19.000 0.361 0.000 0.818 174 A HN 0.497 nan 8.150 nan 0.000 0.453 175 L N -3.342 117.947 121.223 0.111 0.000 3.174 175 L HA 0.199 4.539 4.340 0.000 0.000 0.283 175 L C 1.746 178.631 176.870 0.024 0.000 1.187 175 L CA 0.027 54.871 54.840 0.007 0.000 1.018 175 L CB 0.086 42.120 42.059 -0.041 0.000 1.433 175 L HN 0.426 nan 8.230 nan 0.000 0.593 176 Y N 1.399 121.702 120.300 0.006 0.000 2.207 176 Y HA -0.307 4.243 4.550 0.000 0.000 0.287 176 Y C 2.157 178.081 175.900 0.041 0.000 1.156 176 Y CA 2.209 60.333 58.100 0.040 0.000 1.182 176 Y CB 0.166 38.642 38.460 0.026 0.000 0.979 176 Y HN 0.220 nan 8.280 nan 0.000 0.521 177 D N -0.777 119.653 120.400 0.050 0.000 2.097 177 D HA -0.159 4.481 4.640 0.000 0.000 0.197 177 D C 2.222 178.455 176.300 -0.112 0.000 0.984 177 D CA 1.513 55.495 54.000 -0.029 0.000 0.826 177 D CB -0.233 40.593 40.800 0.043 0.000 0.973 177 D HN 0.234 nan 8.370 nan 0.000 0.460 178 V N 0.768 120.614 119.914 -0.113 0.000 2.220 178 V HA -0.260 3.860 4.120 0.000 0.000 0.246 178 V C 2.756 178.725 176.094 -0.208 0.000 1.049 178 V CA 2.054 64.257 62.300 -0.161 0.000 1.003 178 V CB -1.034 30.643 31.823 -0.244 0.000 0.634 178 V HN 0.330 nan 8.190 nan 0.000 0.444 179 V N -1.835 117.929 119.914 -0.250 0.000 2.720 179 V HA -0.158 3.962 4.120 0.000 0.000 0.256 179 V C 2.096 178.011 176.094 -0.299 0.000 1.082 179 V CA 2.283 64.427 62.300 -0.259 0.000 1.101 179 V CB -0.657 31.029 31.823 -0.228 0.000 0.693 179 V HN 0.480 nan 8.190 nan 0.000 0.479 180 S N 0.212 115.735 115.700 -0.295 0.000 2.446 180 S HA -0.021 4.449 4.470 0.000 0.000 0.225 180 S C 1.847 176.338 174.600 -0.182 0.000 1.016 180 S CA 1.557 59.609 58.200 -0.247 0.000 0.943 180 S CB -0.045 62.961 63.200 -0.324 0.000 0.786 180 S HN 0.805 nan 8.310 nan 0.000 0.508 181 T N 1.375 115.818 114.554 -0.184 0.000 3.056 181 T HA 0.280 4.630 4.350 0.000 0.000 0.243 181 T C 1.680 176.271 174.700 -0.181 0.000 0.995 181 T CA -0.113 61.900 62.100 -0.146 0.000 1.091 181 T CB -0.248 68.562 68.868 -0.096 0.000 0.990 181 T HN 0.181 nan 8.240 nan 0.000 0.464 182 L N 2.095 123.209 121.223 -0.182 0.000 2.046 182 L HA 0.002 4.343 4.340 0.000 0.000 0.208 182 L C -1.028 175.679 176.870 -0.272 0.000 1.077 182 L CA 1.507 56.247 54.840 -0.167 0.000 0.747 182 L CB -0.816 41.194 42.059 -0.082 0.000 0.896 182 L HN 0.131 nan 8.230 nan 0.000 0.432 183 P HA -0.213 nan 4.420 nan 0.000 0.215 183 P C 1.358 178.230 177.300 -0.713 0.000 1.153 183 P CA 1.273 63.953 63.100 -0.700 0.000 0.853 183 P CB -0.123 30.810 31.700 -1.278 0.000 0.788 184 Q N -0.156 119.278 119.800 -0.611 0.000 2.119 184 Q HA -0.087 4.253 4.340 0.000 0.000 0.201 184 Q C 1.974 177.846 176.000 -0.213 0.000 0.972 184 Q CA 1.348 56.966 55.803 -0.309 0.000 0.847 184 Q CB -0.554 28.088 28.738 -0.161 0.000 0.903 184 Q HN 0.086 nan 8.270 nan 0.000 0.433 185 V N 0.053 119.847 119.914 -0.200 0.000 2.358 185 V HA -0.203 3.917 4.120 0.000 0.000 0.246 185 V C 2.465 178.471 176.094 -0.148 0.000 1.047 185 V CA 1.325 63.542 62.300 -0.139 0.000 1.035 185 V CB -0.481 31.277 31.823 -0.108 0.000 0.658 185 V HN 0.118 nan 8.190 nan 0.000 0.452 186 V N -0.786 119.009 119.914 -0.200 0.000 2.379 186 V HA -0.177 3.943 4.120 0.000 0.000 0.245 186 V C 2.051 177.969 176.094 -0.293 0.000 1.044 186 V CA 2.176 64.348 62.300 -0.212 0.000 1.036 186 V CB -0.382 31.304 31.823 -0.228 0.000 0.664 186 V HN 0.469 nan 8.190 nan 0.000 0.453 187 M N -1.535 117.836 119.600 -0.381 0.000 2.337 187 M HA 0.360 4.840 4.480 0.000 0.000 0.256 187 M C 1.465 177.645 176.300 -0.199 0.000 1.075 187 M CA 0.738 55.733 55.300 -0.509 0.000 1.024 187 M CB 0.693 32.885 32.600 -0.681 0.000 1.429 187 M HN 0.462 nan 8.290 nan 0.000 0.497 188 G N 1.638 110.354 108.800 -0.140 0.000 2.622 188 G HA2 -0.401 3.559 3.960 0.000 0.000 0.307 188 G HA3 -0.401 3.559 3.960 0.000 0.000 0.307 188 G C 0.826 175.685 174.900 -0.069 0.000 1.226 188 G CA 0.904 45.961 45.100 -0.072 0.000 0.997 188 G HN 0.540 nan 8.290 nan 0.000 0.551 189 S N -0.488 115.195 115.700 -0.029 0.000 2.561 189 S HA 0.217 4.687 4.470 0.000 0.000 0.225 189 S C 2.154 176.674 174.600 -0.133 0.000 0.977 189 S CA 1.639 59.785 58.200 -0.088 0.000 0.926 189 S CB 0.173 63.391 63.200 0.030 0.000 0.769 189 S HN 0.864 nan 8.310 nan 0.000 0.533 190 S N 0.414 116.124 115.700 0.017 0.000 2.453 190 S HA 0.102 4.572 4.470 0.000 0.000 0.231 190 S C 0.227 174.848 174.600 0.035 0.000 1.005 190 S CA 0.025 58.283 58.200 0.097 0.000 0.949 190 S CB -0.408 62.949 63.200 0.261 0.000 0.774 190 S HN 0.721 nan 8.310 nan 0.000 0.510 191 Y N 2.712 122.900 120.300 -0.186 0.000 2.584 191 Y HA 0.433 4.984 4.550 0.000 0.000 0.351 191 Y C 1.188 176.908 175.900 -0.300 0.000 1.030 191 Y CA -1.327 56.638 58.100 -0.225 0.000 1.332 191 Y CB 0.099 38.423 38.460 -0.228 0.000 1.148 191 Y HN 0.044 nan 8.280 nan 0.000 0.528 192 G N 4.301 112.694 108.800 -0.678 0.000 2.920 192 G HA2 -0.167 3.793 3.960 0.000 0.000 0.208 192 G HA3 -0.167 3.793 3.960 0.000 0.000 0.208 192 G C 0.799 175.200 174.900 -0.832 0.000 1.159 192 G CA 0.032 44.783 45.100 -0.582 0.000 0.784 192 G HN 0.627 nan 8.290 nan 0.000 0.535 193 F N 0.736 120.025 119.950 -1.102 0.000 2.789 193 F HA 0.099 4.626 4.527 -0.000 0.000 0.300 193 F C 2.715 178.361 175.800 -0.257 0.000 1.132 193 F CA 0.442 57.928 58.000 -0.857 0.000 1.404 193 F CB 0.207 38.651 39.000 -0.927 0.000 1.114 193 F HN 0.350 nan 8.300 nan 0.000 0.584 194 Q N -0.817 118.833 119.800 -0.249 0.000 2.432 194 Q HA -0.065 4.275 4.340 0.000 0.000 0.205 194 Q C -0.498 175.407 176.000 -0.159 0.000 0.945 194 Q CA 0.734 56.452 55.803 -0.142 0.000 0.924 194 Q CB -0.325 28.220 28.738 -0.321 0.000 1.016 194 Q HN 0.267 nan 8.270 nan 0.000 0.503 195 Y N 2.297 122.601 120.300 0.006 0.000 2.313 195 Y HA 0.270 4.820 4.550 0.000 0.000 0.332 195 Y C 0.637 176.375 175.900 -0.271 0.000 1.071 195 Y CA -1.087 56.943 58.100 -0.117 0.000 1.169 195 Y CB 1.304 39.662 38.460 -0.170 0.000 1.192 195 Y HN 0.115 nan 8.280 nan 0.000 0.487 196 S N 3.141 118.526 115.700 -0.524 0.000 2.624 196 S HA 0.287 4.757 4.470 0.000 0.000 0.263 196 S C -1.979 172.288 174.600 -0.555 0.000 1.287 196 S CA -1.159 56.276 58.200 -1.275 0.000 0.990 196 S CB 1.411 63.919 63.200 -1.155 0.000 0.950 196 S HN 0.397 nan 8.310 nan 0.000 0.561 197 P HA -0.038 nan 4.420 nan 0.000 0.215 197 P C 1.717 178.898 177.300 -0.198 0.000 1.157 197 P CA 1.867 64.801 63.100 -0.277 0.000 0.874 197 P CB -0.536 30.982 31.700 -0.305 0.000 0.790 198 G N -0.480 108.162 108.800 -0.264 0.000 2.422 198 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 198 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 198 G C 1.521 176.356 174.900 -0.109 0.000 1.146 198 G CA 0.559 45.578 45.100 -0.136 0.000 0.769 198 G HN 0.321 nan 8.290 nan 0.000 0.547 199 Q N -0.530 119.190 119.800 -0.134 0.000 2.167 199 Q HA -0.003 4.337 4.340 0.000 0.000 0.202 199 Q C 2.581 178.457 176.000 -0.206 0.000 0.970 199 Q CA 0.933 56.693 55.803 -0.070 0.000 0.855 199 Q CB -0.093 28.685 28.738 0.067 0.000 0.911 199 Q HN 0.469 nan 8.270 nan 0.000 0.438 200 R N 0.330 120.704 120.500 -0.209 0.000 2.062 200 R HA -0.096 4.244 4.340 0.000 0.000 0.229 200 R C 2.177 178.372 176.300 -0.175 0.000 1.128 200 R CA 0.920 56.851 56.100 -0.282 0.000 0.960 200 R CB -0.172 30.054 30.300 -0.124 0.000 0.855 200 R HN 0.062 nan 8.270 nan 0.000 0.432 201 V N 1.752 121.597 119.914 -0.116 0.000 2.282 201 V HA -0.289 3.831 4.120 0.000 0.000 0.249 201 V C 2.407 178.427 176.094 -0.125 0.000 1.057 201 V CA 2.334 64.576 62.300 -0.096 0.000 1.032 201 V CB -0.561 31.252 31.823 -0.017 0.000 0.645 201 V HN 0.506 nan 8.190 nan 0.000 0.447 202 E N -0.786 119.359 120.200 -0.093 0.000 2.058 202 E HA -0.281 4.069 4.350 0.000 0.000 0.194 202 E C 2.149 178.690 176.600 -0.098 0.000 0.997 202 E CA 1.932 58.286 56.400 -0.077 0.000 0.801 202 E CB -0.209 29.469 29.700 -0.037 0.000 0.746 202 E HN 0.578 nan 8.360 nan 0.000 0.450 203 F N 1.190 120.959 119.950 -0.302 0.000 2.075 203 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 203 F C 2.119 177.774 175.800 -0.242 0.000 1.113 203 F CA 1.276 59.076 58.000 -0.334 0.000 1.218 203 F CB -0.389 38.206 39.000 -0.674 0.000 0.984 203 F HN -0.011 nan 8.300 nan 0.000 0.472 204 L N -0.599 120.466 121.223 -0.262 0.000 2.012 204 L HA -0.263 4.077 4.340 0.000 0.000 0.210 204 L C 2.395 179.091 176.870 -0.289 0.000 1.073 204 L CA 1.376 56.039 54.840 -0.295 0.000 0.748 204 L CB -0.751 41.194 42.059 -0.191 0.000 0.891 204 L HN 0.039 nan 8.230 nan 0.000 0.431 205 V N -0.088 119.645 119.914 -0.302 0.000 2.261 205 V HA -0.285 3.835 4.120 0.000 0.000 0.246 205 V C 2.202 178.177 176.094 -0.198 0.000 1.047 205 V CA 1.955 64.058 62.300 -0.329 0.000 1.015 205 V CB -0.704 30.778 31.823 -0.568 0.000 0.642 205 V HN 0.484 nan 8.190 nan 0.000 0.446 206 N N 0.076 118.648 118.700 -0.213 0.000 2.104 206 N HA -0.152 4.588 4.740 0.000 0.000 0.190 206 N C 1.900 177.287 175.510 -0.205 0.000 1.024 206 N CA 1.990 54.938 53.050 -0.170 0.000 0.853 206 N CB -0.702 37.701 38.487 -0.141 0.000 1.008 206 N HN 0.462 nan 8.380 nan 0.000 0.424 207 T N 0.298 114.642 114.554 -0.350 0.000 2.708 207 T HA -0.145 4.205 4.350 0.000 0.000 0.266 207 T C 1.491 176.088 174.700 -0.171 0.000 1.037 207 T CA 0.697 62.580 62.100 -0.362 0.000 1.146 207 T CB -0.247 68.244 68.868 -0.629 0.000 0.865 207 T HN 0.432 nan 8.240 nan 0.000 0.435 208 W N 2.196 123.321 121.300 -0.292 0.000 2.363 208 W HA -0.077 4.583 4.660 0.000 0.000 0.296 208 W C 1.838 178.262 176.519 -0.159 0.000 1.212 208 W CA 1.154 58.373 57.345 -0.210 0.000 1.260 208 W CB -0.136 29.194 29.460 -0.216 0.000 1.131 208 W HN 0.266 nan 8.180 nan 0.000 0.530 209 K N 0.115 120.509 120.400 -0.010 0.000 2.217 209 K HA -0.105 4.215 4.320 0.000 0.000 0.202 209 K C 2.036 178.572 176.600 -0.107 0.000 1.051 209 K CA 1.521 57.778 56.287 -0.051 0.000 0.952 209 K CB -0.288 32.201 32.500 -0.018 0.000 0.736 209 K HN 0.026 nan 8.250 nan 0.000 0.453 210 S N 0.704 116.329 115.700 -0.125 0.000 2.607 210 S HA 0.039 4.509 4.470 0.000 0.000 0.224 210 S C 0.353 174.871 174.600 -0.137 0.000 0.969 210 S CA 0.180 58.312 58.200 -0.114 0.000 0.927 210 S CB 0.016 63.153 63.200 -0.104 0.000 0.772 210 S HN -0.028 nan 8.310 nan 0.000 0.533 211 K N 1.695 121.974 120.400 -0.201 0.000 2.185 211 K HA 0.383 4.703 4.320 0.000 0.000 0.269 211 K C 0.321 176.797 176.600 -0.207 0.000 0.987 211 K CA -0.438 55.714 56.287 -0.225 0.000 0.865 211 K CB 1.619 33.917 32.500 -0.337 0.000 1.090 211 K HN 0.116 nan 8.250 nan 0.000 0.450 212 K N 1.237 121.549 120.400 -0.147 0.000 1.985 212 K HA -0.121 4.199 4.320 0.000 0.000 0.210 212 K C 0.074 176.598 176.600 -0.127 0.000 1.047 212 K CA 1.465 57.684 56.287 -0.113 0.000 0.932 212 K CB -0.019 32.434 32.500 -0.078 0.000 0.716 212 K HN 0.404 nan 8.250 nan 0.000 0.439 213 N N 1.456 120.075 118.700 -0.135 0.000 2.706 213 N HA 0.175 4.915 4.740 0.000 0.000 0.240 213 N C -2.814 172.570 175.510 -0.209 0.000 1.039 213 N CA -1.604 51.370 53.050 -0.127 0.000 0.888 213 N CB 1.289 39.737 38.487 -0.063 0.000 1.128 213 N HN 0.016 nan 8.380 nan 0.000 0.512 214 P HA 0.112 nan 4.420 nan 0.000 0.276 214 P C -0.649 176.281 177.300 -0.617 0.000 1.243 214 P CA -0.219 62.400 63.100 -0.801 0.000 0.768 214 P CB 0.946 31.659 31.700 -1.645 0.000 0.856 215 M N 2.900 122.214 119.600 -0.477 0.000 2.457 215 M HA 0.674 5.154 4.480 0.000 0.000 0.300 215 M C -0.972 175.288 176.300 -0.067 0.000 1.141 215 M CA -0.343 54.816 55.300 -0.234 0.000 0.901 215 M CB 2.643 35.152 32.600 -0.151 0.000 1.687 215 M HN 0.550 nan 8.290 nan 0.000 0.449 216 G N 3.540 112.429 108.800 0.149 0.000 2.660 216 G HA2 0.832 4.792 3.960 0.000 0.000 0.294 216 G HA3 0.832 4.792 3.960 0.000 0.000 0.294 216 G C -2.066 172.932 174.900 0.165 0.000 1.369 216 G CA -0.610 44.608 45.100 0.198 0.000 0.912 216 G HN 0.801 nan 8.290 nan 0.000 0.479 217 F N -0.187 119.733 119.950 -0.049 0.000 2.650 217 F HA 0.733 5.260 4.527 -0.000 0.000 0.310 217 F C -0.232 175.554 175.800 -0.022 0.000 1.112 217 F CA -1.331 56.634 58.000 -0.058 0.000 0.986 217 F CB 1.194 40.140 39.000 -0.089 0.000 1.285 217 F HN 0.659 nan 8.300 nan 0.000 0.440 218 S N 1.990 117.748 115.700 0.096 0.000 2.610 218 S HA 0.569 5.039 4.470 0.000 0.000 0.273 218 S C -1.375 173.408 174.600 0.304 0.000 1.274 218 S CA -0.490 57.753 58.200 0.071 0.000 1.023 218 S CB 1.412 64.640 63.200 0.046 0.000 0.962 218 S HN 0.825 nan 8.310 nan 0.000 0.523 219 Y N 1.380 121.769 120.300 0.149 0.000 2.328 219 Y HA 0.424 4.974 4.550 0.000 0.000 0.333 219 Y C -0.849 175.163 175.900 0.187 0.000 0.958 219 Y CA -0.974 57.285 58.100 0.266 0.000 1.167 219 Y CB 1.292 40.000 38.460 0.413 0.000 1.151 219 Y HN 0.883 nan 8.280 nan 0.000 0.470 220 D N 4.311 124.543 120.400 -0.280 0.000 2.373 220 D HA 0.242 4.882 4.640 0.000 0.000 0.227 220 D C -0.737 175.406 176.300 -0.262 0.000 1.091 220 D CA -0.110 53.789 54.000 -0.167 0.000 0.840 220 D CB 0.977 41.718 40.800 -0.098 0.000 1.060 220 D HN 0.455 nan 8.370 nan 0.000 0.502 221 T N 3.382 117.937 114.554 0.003 0.000 2.897 221 T HA 0.183 4.533 4.350 0.000 0.000 0.294 221 T C 0.485 175.262 174.700 0.128 0.000 1.004 221 T CA -0.544 61.644 62.100 0.146 0.000 1.106 221 T CB 0.806 69.977 68.868 0.505 0.000 0.949 221 T HN 0.312 nan 8.240 nan 0.000 0.520 222 R N 1.972 122.527 120.500 0.092 0.000 2.351 222 R HA 0.242 4.582 4.340 0.000 0.000 0.321 222 R C -0.438 175.965 176.300 0.171 0.000 1.182 222 R CA -0.302 55.842 56.100 0.074 0.000 1.011 222 R CB -1.102 29.184 30.300 -0.024 0.000 1.048 222 R HN 0.927 nan 8.270 nan 0.000 0.490 223 C N 4.984 124.411 119.300 0.210 0.000 3.165 223 C HA -0.163 4.297 4.460 0.000 0.000 0.279 223 C C 1.265 176.452 174.990 0.328 0.000 1.188 223 C CA -0.055 59.130 59.018 0.278 0.000 2.448 223 C CB -2.959 24.972 27.740 0.319 0.000 1.516 223 C HN 0.996 nan 8.230 nan 0.000 0.491 224 F N 1.730 121.791 119.950 0.185 0.000 2.087 224 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 224 F C 1.955 177.858 175.800 0.172 0.000 1.100 224 F CA 2.441 60.551 58.000 0.183 0.000 1.226 224 F CB 0.015 39.113 39.000 0.163 0.000 0.983 224 F HN 0.525 nan 8.300 nan 0.000 0.479 225 D N -0.444 120.164 120.400 0.347 0.000 2.158 225 D HA -0.183 4.457 4.640 0.000 0.000 0.197 225 D C 2.465 178.815 176.300 0.084 0.000 0.995 225 D CA 1.691 55.826 54.000 0.225 0.000 0.846 225 D CB -0.488 40.460 40.800 0.247 0.000 0.941 225 D HN 0.244 nan 8.370 nan 0.000 0.456 226 S N -0.711 115.057 115.700 0.114 0.000 2.406 226 S HA -0.103 4.367 4.470 0.000 0.000 0.228 226 S C 2.074 176.597 174.600 -0.128 0.000 1.020 226 S CA 1.429 59.609 58.200 -0.034 0.000 0.965 226 S CB -0.210 63.011 63.200 0.034 0.000 0.798 226 S HN 0.544 nan 8.310 nan 0.000 0.488 227 T N -0.193 114.367 114.554 0.009 0.000 2.985 227 T HA 0.087 4.437 4.350 0.000 0.000 0.266 227 T C 0.741 175.355 174.700 -0.144 0.000 1.076 227 T CA 0.169 62.271 62.100 0.003 0.000 1.135 227 T CB -0.550 68.309 68.868 -0.015 0.000 0.890 227 T HN 0.052 nan 8.240 nan 0.000 0.480 228 V N 4.236 124.012 119.914 -0.230 0.000 2.458 228 V HA 0.216 4.336 4.120 0.000 0.000 0.287 228 V C 1.308 177.336 176.094 -0.110 0.000 1.009 228 V CA 0.055 62.249 62.300 -0.176 0.000 1.091 228 V CB -0.491 31.259 31.823 -0.122 0.000 0.960 228 V HN 0.752 nan 8.190 nan 0.000 0.476 229 T N 1.194 115.701 114.554 -0.078 0.000 2.824 229 T HA 0.227 4.577 4.350 0.000 0.000 0.277 229 T C 1.108 175.782 174.700 -0.042 0.000 0.975 229 T CA -0.198 61.863 62.100 -0.065 0.000 0.966 229 T CB 1.185 70.024 68.868 -0.049 0.000 1.054 229 T HN 0.689 nan 8.240 nan 0.000 0.533 230 E N 0.246 120.423 120.200 -0.038 0.000 2.110 230 E HA -0.244 4.106 4.350 0.000 0.000 0.193 230 E C 1.952 178.550 176.600 -0.004 0.000 0.988 230 E CA 1.417 57.808 56.400 -0.015 0.000 0.804 230 E CB -0.220 29.471 29.700 -0.015 0.000 0.745 230 E HN 0.758 nan 8.360 nan 0.000 0.458 231 N N 0.935 119.628 118.700 -0.010 0.000 2.069 231 N HA -0.196 4.544 4.740 0.000 0.000 0.191 231 N C 1.466 176.987 175.510 0.019 0.000 1.031 231 N CA 2.110 55.160 53.050 0.000 0.000 0.852 231 N CB -0.116 38.361 38.487 -0.016 0.000 1.018 231 N HN 0.120 nan 8.380 nan 0.000 0.423 232 D N -0.032 120.378 120.400 0.016 0.000 2.123 232 D HA -0.120 4.520 4.640 0.000 0.000 0.196 232 D C 1.941 178.248 176.300 0.011 0.000 0.992 232 D CA 0.971 54.991 54.000 0.033 0.000 0.833 232 D CB -0.228 40.585 40.800 0.022 0.000 0.954 232 D HN 0.467 nan 8.370 nan 0.000 0.455 233 I N 0.528 121.106 120.570 0.012 0.000 2.439 233 I HA -0.158 4.012 4.170 0.000 0.000 0.251 233 I C 2.491 178.616 176.117 0.013 0.000 1.139 233 I CA 0.748 62.062 61.300 0.024 0.000 1.438 233 I CB -0.005 38.034 38.000 0.064 0.000 1.085 233 I HN -0.126 nan 8.210 nan 0.000 0.427 234 R N -0.023 120.483 120.500 0.011 0.000 2.073 234 R HA -0.061 4.280 4.340 0.000 0.000 0.229 234 R C 2.350 178.632 176.300 -0.030 0.000 1.120 234 R CA 1.008 57.111 56.100 0.004 0.000 0.967 234 R CB -0.368 29.939 30.300 0.011 0.000 0.862 234 R HN 0.185 nan 8.270 nan 0.000 0.436 235 V N 1.465 121.364 119.914 -0.026 0.000 2.295 235 V HA -0.269 3.851 4.120 0.000 0.000 0.246 235 V C 2.381 178.390 176.094 -0.142 0.000 1.049 235 V CA 1.985 64.258 62.300 -0.044 0.000 1.024 235 V CB -0.523 31.313 31.823 0.022 0.000 0.648 235 V HN 0.412 nan 8.190 nan 0.000 0.447 236 E N 0.006 120.097 120.200 -0.182 0.000 2.086 236 E HA -0.331 4.019 4.350 0.000 0.000 0.200 236 E C 2.296 178.459 176.600 -0.727 0.000 1.012 236 E CA 2.000 58.160 56.400 -0.400 0.000 0.812 236 E CB -0.190 29.346 29.700 -0.274 0.000 0.743 236 E HN 0.685 nan 8.360 nan 0.000 0.453 237 E N 0.045 120.021 120.200 -0.374 0.000 2.106 237 E HA -0.159 4.191 4.350 0.000 0.000 0.192 237 E C 2.155 178.684 176.600 -0.119 0.000 0.984 237 E CA 1.380 57.665 56.400 -0.192 0.000 0.806 237 E CB -0.073 29.654 29.700 0.045 0.000 0.750 237 E HN 0.329 nan 8.360 nan 0.000 0.458 238 S N 0.262 115.895 115.700 -0.111 0.000 2.423 238 S HA -0.095 4.375 4.470 0.000 0.000 0.231 238 S C 2.079 176.635 174.600 -0.073 0.000 1.014 238 S CA 0.626 58.791 58.200 -0.057 0.000 0.965 238 S CB -0.482 62.693 63.200 -0.041 0.000 0.785 238 S HN 0.275 nan 8.310 nan 0.000 0.495 239 I N 0.247 120.720 120.570 -0.162 0.000 2.226 239 I HA -0.160 4.010 4.170 0.000 0.000 0.245 239 I C 2.272 178.377 176.117 -0.020 0.000 1.100 239 I CA 1.395 62.613 61.300 -0.137 0.000 1.374 239 I CB -0.510 37.360 38.000 -0.217 0.000 1.057 239 I HN 0.244 nan 8.210 nan 0.000 0.413 240 Y N 0.920 121.211 120.300 -0.015 0.000 2.181 240 Y HA -0.210 4.340 4.550 0.000 0.000 0.288 240 Y C 2.659 178.560 175.900 0.001 0.000 1.146 240 Y CA 0.671 58.766 58.100 -0.008 0.000 1.164 240 Y CB -1.028 37.439 38.460 0.011 0.000 0.982 240 Y HN 0.242 nan 8.280 nan 0.000 0.515 241 Q N -1.198 118.693 119.800 0.152 0.000 2.437 241 Q HA -0.107 4.233 4.340 0.000 0.000 0.210 241 Q C 2.323 178.356 176.000 0.055 0.000 0.972 241 Q CA 0.848 56.705 55.803 0.090 0.000 0.903 241 Q CB -0.819 27.956 28.738 0.062 0.000 0.967 241 Q HN 0.511 nan 8.270 nan 0.000 0.486 242 C N 0.205 119.530 119.300 0.043 0.000 2.432 242 C HA -0.045 4.415 4.460 0.000 0.000 0.280 242 C C 1.626 176.632 174.990 0.026 0.000 1.353 242 C CA -0.680 58.351 59.018 0.022 0.000 1.766 242 C CB -0.730 27.013 27.740 0.005 0.000 1.924 242 C HN 0.405 nan 8.230 nan 0.000 0.509 243 C N 1.850 121.175 119.300 0.041 0.000 2.727 243 C HA 0.069 4.529 4.460 0.000 0.000 0.401 243 C C 0.714 175.720 174.990 0.027 0.000 1.294 243 C CA -0.235 58.802 59.018 0.031 0.000 2.134 243 C CB -0.255 27.508 27.740 0.038 0.000 2.724 243 C HN 0.502 nan 8.230 nan 0.000 0.677 244 D N 1.855 122.266 120.400 0.019 0.000 2.359 244 D HA 0.352 4.992 4.640 0.000 0.000 0.250 244 D C -0.680 175.635 176.300 0.026 0.000 1.264 244 D CA 0.407 54.419 54.000 0.020 0.000 0.911 244 D CB 0.046 40.854 40.800 0.014 0.000 1.056 244 D HN 0.365 nan 8.370 nan 0.000 0.499 245 L N 2.083 123.326 121.223 0.034 0.000 2.354 245 L HA 0.574 4.914 4.340 0.000 0.000 0.264 245 L C 0.416 177.314 176.870 0.046 0.000 1.008 245 L CA -1.221 53.645 54.840 0.044 0.000 0.819 245 L CB 1.843 43.935 42.059 0.054 0.000 1.339 245 L HN 0.278 nan 8.230 nan 0.000 0.420 246 A N 2.082 124.936 122.820 0.057 0.000 2.498 246 A HA 0.334 4.654 4.320 0.000 0.000 0.239 246 A C -1.794 175.830 177.584 0.067 0.000 1.068 246 A CA -0.832 51.243 52.037 0.063 0.000 0.766 246 A CB -0.161 18.886 19.000 0.078 0.000 1.003 246 A HN 0.637 nan 8.150 nan 0.000 0.497 247 P HA -0.156 nan 4.420 nan 0.000 0.219 247 P C 1.113 178.442 177.300 0.049 0.000 1.146 247 P CA 1.303 64.428 63.100 0.043 0.000 0.808 247 P CB 0.219 31.938 31.700 0.032 0.000 0.779 248 E N -0.618 119.635 120.200 0.089 0.000 2.106 248 E HA -0.139 4.211 4.350 0.000 0.000 0.192 248 E C 2.004 178.687 176.600 0.138 0.000 0.984 248 E CA 1.193 57.671 56.400 0.129 0.000 0.806 248 E CB -0.362 29.502 29.700 0.273 0.000 0.750 248 E HN 0.178 nan 8.360 nan 0.000 0.458 249 A N 1.335 124.256 122.820 0.169 0.000 1.929 249 A HA -0.142 4.178 4.320 0.000 0.000 0.216 249 A C 2.055 179.689 177.584 0.084 0.000 1.176 249 A CA 0.890 53.029 52.037 0.170 0.000 0.628 249 A CB -0.268 18.821 19.000 0.149 0.000 0.816 249 A HN 0.077 nan 8.150 nan 0.000 0.444 250 R N -0.977 119.558 120.500 0.057 0.000 2.073 250 R HA -0.184 4.157 4.340 0.000 0.000 0.234 250 R C 2.503 178.807 176.300 0.006 0.000 1.134 250 R CA 1.737 57.861 56.100 0.040 0.000 0.952 250 R CB -0.317 30.003 30.300 0.033 0.000 0.850 250 R HN 0.644 nan 8.270 nan 0.000 0.433 251 Q N 0.749 120.531 119.800 -0.031 0.000 2.050 251 Q HA -0.112 4.229 4.340 0.000 0.000 0.202 251 Q C 1.953 177.872 176.000 -0.136 0.000 0.980 251 Q CA 2.087 57.841 55.803 -0.083 0.000 0.840 251 Q CB -0.253 28.418 28.738 -0.112 0.000 0.898 251 Q HN 0.339 nan 8.270 nan 0.000 0.424 252 A N 0.090 122.789 122.820 -0.201 0.000 1.902 252 A HA -0.142 4.178 4.320 0.000 0.000 0.217 252 A C 2.136 179.665 177.584 -0.093 0.000 1.181 252 A CA 1.515 53.382 52.037 -0.284 0.000 0.623 252 A CB -0.748 17.969 19.000 -0.472 0.000 0.818 252 A HN 0.491 nan 8.150 nan 0.000 0.443 253 I N -0.537 120.039 120.570 0.009 0.000 2.179 253 I HA -0.267 3.903 4.170 0.000 0.000 0.242 253 I C 2.574 178.747 176.117 0.094 0.000 1.088 253 I CA 1.854 63.214 61.300 0.099 0.000 1.357 253 I CB -0.242 37.841 38.000 0.137 0.000 1.051 253 I HN 0.360 nan 8.210 nan 0.000 0.409 254 K N 0.502 120.930 120.400 0.047 0.000 2.063 254 K HA -0.232 4.088 4.320 0.000 0.000 0.208 254 K C 2.367 178.960 176.600 -0.012 0.000 1.048 254 K CA 1.942 58.247 56.287 0.031 0.000 0.928 254 K CB -0.149 32.356 32.500 0.009 0.000 0.713 254 K HN 0.178 nan 8.250 nan 0.000 0.442 255 S N 0.869 116.532 115.700 -0.061 0.000 2.353 255 S HA -0.127 4.343 4.470 0.000 0.000 0.222 255 S C 2.035 176.557 174.600 -0.129 0.000 1.035 255 S CA 1.276 59.416 58.200 -0.100 0.000 1.025 255 S CB -0.294 62.817 63.200 -0.149 0.000 0.902 255 S HN 0.370 nan 8.310 nan 0.000 0.440 256 L N 0.711 121.836 121.223 -0.163 0.000 2.083 256 L HA -0.107 4.233 4.340 0.000 0.000 0.209 256 L C 2.779 179.364 176.870 -0.474 0.000 1.083 256 L CA 1.581 56.209 54.840 -0.354 0.000 0.752 256 L CB -1.002 40.845 42.059 -0.353 0.000 0.899 256 L HN 0.377 nan 8.230 nan 0.000 0.433 257 T N -0.965 113.526 114.554 -0.106 0.000 2.674 257 T HA -0.159 4.191 4.350 0.000 0.000 0.265 257 T C 1.779 176.486 174.700 0.013 0.000 1.039 257 T CA 1.209 63.371 62.100 0.103 0.000 1.150 257 T CB -0.104 68.884 68.868 0.200 0.000 0.864 257 T HN 0.309 nan 8.240 nan 0.000 0.427 258 E N 0.987 121.176 120.200 -0.018 0.000 2.106 258 E HA -0.035 4.315 4.350 0.000 0.000 0.192 258 E C 2.362 178.939 176.600 -0.037 0.000 0.984 258 E CA 0.924 57.315 56.400 -0.016 0.000 0.806 258 E CB -0.098 29.591 29.700 -0.019 0.000 0.750 258 E HN 0.457 nan 8.360 nan 0.000 0.458 259 R N -0.608 119.840 120.500 -0.087 0.000 2.206 259 R HA 0.112 4.452 4.340 0.000 0.000 0.198 259 R C 1.880 178.110 176.300 -0.117 0.000 0.986 259 R CA 0.271 56.318 56.100 -0.088 0.000 1.029 259 R CB 0.266 30.508 30.300 -0.098 0.000 0.966 259 R HN 0.034 nan 8.270 nan 0.000 0.487 260 L N -2.077 119.029 121.223 -0.196 0.000 2.666 260 L HA 0.188 4.528 4.340 0.000 0.000 0.184 260 L C 1.274 178.100 176.870 -0.074 0.000 1.092 260 L CA 0.721 55.441 54.840 -0.199 0.000 0.857 260 L CB -0.215 41.644 42.059 -0.333 0.000 1.281 260 L HN -0.117 nan 8.230 nan 0.000 0.489 261 Y N 0.260 120.573 120.300 0.022 0.000 2.200 261 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 261 Y C 2.545 178.448 175.900 0.006 0.000 1.137 261 Y CA 1.418 59.538 58.100 0.033 0.000 1.163 261 Y CB -0.935 37.567 38.460 0.071 0.000 0.988 261 Y HN 0.123 nan 8.280 nan 0.000 0.518 262 I N -0.952 119.698 120.570 0.134 0.000 2.286 262 I HA -0.097 4.073 4.170 0.000 0.000 0.248 262 I C 1.247 177.369 176.117 0.009 0.000 1.115 262 I CA 1.537 62.874 61.300 0.061 0.000 1.392 262 I CB -0.349 37.679 38.000 0.047 0.000 1.065 262 I HN 0.338 nan 8.210 nan 0.000 0.418 263 G N -1.291 107.492 108.800 -0.027 0.000 2.320 263 G HA2 0.475 4.435 3.960 0.000 0.000 0.297 263 G HA3 0.475 4.435 3.960 0.000 0.000 0.297 263 G C -1.003 173.738 174.900 -0.265 0.000 1.344 263 G CA -0.202 44.813 45.100 -0.142 0.000 0.851 263 G HN 0.451 nan 8.290 nan 0.000 0.567 264 G N -0.991 107.384 108.800 -0.708 0.000 2.313 264 G HA2 0.720 4.680 3.960 0.000 0.000 0.296 264 G HA3 0.720 4.680 3.960 0.000 0.000 0.296 264 G C -3.454 170.838 174.900 -1.013 0.000 1.356 264 G CA 0.058 44.700 45.100 -0.762 0.000 0.833 264 G HN 0.770 nan 8.290 nan 0.000 0.552 265 P HA 0.435 nan 4.420 nan 0.000 0.271 265 P C -0.495 176.711 177.300 -0.156 0.000 1.218 265 P CA -0.110 62.869 63.100 -0.203 0.000 0.780 265 P CB 1.121 32.824 31.700 0.004 0.000 0.901 266 L N 2.256 123.435 121.223 -0.074 0.000 2.307 266 L HA 0.480 4.820 4.340 0.000 0.000 0.284 266 L C 0.441 177.314 176.870 0.006 0.000 1.023 266 L CA -0.220 54.603 54.840 -0.028 0.000 0.810 266 L CB 1.677 43.758 42.059 0.037 0.000 1.231 266 L HN 0.286 nan 8.230 nan 0.000 0.423 267 T N 1.270 115.806 114.554 -0.029 0.000 2.848 267 T HA 0.317 4.667 4.350 0.000 0.000 0.285 267 T C -0.281 174.397 174.700 -0.037 0.000 0.995 267 T CA -0.866 61.217 62.100 -0.028 0.000 0.970 267 T CB 1.519 70.354 68.868 -0.054 0.000 0.976 267 T HN 0.656 nan 8.240 nan 0.000 0.441 268 N N 0.768 119.463 118.700 -0.009 0.000 2.347 268 N HA 0.112 4.852 4.740 0.000 0.000 0.253 268 N C 1.413 176.909 175.510 -0.024 0.000 1.274 268 N CA -0.244 52.800 53.050 -0.009 0.000 0.941 268 N CB 0.188 38.680 38.487 0.009 0.000 1.200 268 N HN 0.450 nan 8.380 nan 0.000 0.514 269 S N -1.196 114.499 115.700 -0.008 0.000 2.469 269 S HA -0.096 4.374 4.470 0.000 0.000 0.238 269 S C 1.017 175.610 174.600 -0.011 0.000 0.998 269 S CA 0.664 58.862 58.200 -0.003 0.000 0.957 269 S CB -0.412 62.801 63.200 0.022 0.000 0.764 269 S HN 0.632 nan 8.310 nan 0.000 0.514 270 K N 0.467 120.862 120.400 -0.009 0.000 2.379 270 K HA 0.280 4.600 4.320 0.000 0.000 0.194 270 K C 1.256 177.845 176.600 -0.017 0.000 1.031 270 K CA 0.465 56.745 56.287 -0.011 0.000 1.037 270 K CB 0.171 32.669 32.500 -0.003 0.000 0.824 270 K HN 0.541 nan 8.250 nan 0.000 0.516 271 G N 1.696 110.483 108.800 -0.021 0.000 2.184 271 G HA2 -0.232 3.728 3.960 0.000 0.000 0.206 271 G HA3 -0.232 3.728 3.960 0.000 0.000 0.206 271 G C -0.288 174.606 174.900 -0.010 0.000 0.995 271 G CA -0.394 44.691 45.100 -0.025 0.000 0.651 271 G HN 0.288 nan 8.290 nan 0.000 0.511 272 Q N 0.358 120.158 119.800 0.000 0.000 2.259 272 Q HA 0.391 4.731 4.340 0.000 0.000 0.246 272 Q C 0.357 176.372 176.000 0.025 0.000 0.920 272 Q CA -0.504 55.307 55.803 0.014 0.000 0.895 272 Q CB 0.963 29.712 28.738 0.019 0.000 1.220 272 Q HN 0.365 nan 8.270 nan 0.000 0.439 273 N N 1.111 119.833 118.700 0.037 0.000 2.470 273 N HA 0.024 4.764 4.740 0.000 0.000 0.268 273 N C -0.383 175.179 175.510 0.088 0.000 1.136 273 N CA -0.340 52.743 53.050 0.055 0.000 0.961 273 N CB 0.631 39.153 38.487 0.058 0.000 1.067 273 N HN 0.614 nan 8.380 nan 0.000 0.468 274 C N 2.604 121.977 119.300 0.121 0.000 2.865 274 C HA 0.436 4.896 4.460 0.000 0.000 0.280 274 C C 1.173 176.342 174.990 0.298 0.000 1.255 274 C CA 0.421 59.567 59.018 0.213 0.000 1.705 274 C CB -0.808 27.083 27.740 0.253 0.000 2.080 274 C HN 0.963 nan 8.230 nan 0.000 0.591 275 G N -1.093 107.811 108.800 0.173 0.000 2.347 275 G HA2 0.242 4.202 3.960 0.000 0.000 0.224 275 G HA3 0.242 4.202 3.960 0.000 0.000 0.224 275 G C -2.012 172.932 174.900 0.073 0.000 1.318 275 G CA -0.349 44.811 45.100 0.099 0.000 1.016 275 G HN 0.038 nan 8.290 nan 0.000 0.469 276 Y N 0.592 120.780 120.300 -0.186 0.000 2.562 276 Y HA 0.787 5.337 4.550 -0.000 0.000 0.345 276 Y C -0.094 175.678 175.900 -0.214 0.000 1.045 276 Y CA -0.869 57.138 58.100 -0.156 0.000 1.028 276 Y CB 2.123 40.502 38.460 -0.135 0.000 1.297 276 Y HN 0.700 nan 8.280 nan 0.000 0.463 277 R N 4.014 124.267 120.500 -0.412 0.000 2.562 277 R HA 0.554 4.894 4.340 0.000 0.000 0.298 277 R C -0.888 175.236 176.300 -0.293 0.000 0.961 277 R CA -0.646 55.221 56.100 -0.388 0.000 0.881 277 R CB 1.150 31.278 30.300 -0.286 0.000 1.159 277 R HN 0.924 nan 8.270 nan 0.000 0.450 278 R N 2.861 123.170 120.500 -0.318 0.000 2.659 278 R HA 0.219 4.559 4.340 0.000 0.000 0.418 278 R C -0.498 175.661 176.300 -0.235 0.000 1.076 278 R CA -0.259 55.735 56.100 -0.176 0.000 1.093 278 R CB 0.442 30.678 30.300 -0.107 0.000 1.400 278 R HN 0.764 nan 8.270 nan 0.000 0.583 279 C N -1.948 117.166 119.300 -0.310 0.000 3.321 279 C HA 0.611 5.071 4.460 0.000 0.000 0.363 279 C C -0.299 174.618 174.990 -0.122 0.000 1.705 279 C CA -1.553 57.323 59.018 -0.236 0.000 1.298 279 C CB 1.247 28.781 27.740 -0.344 0.000 2.086 279 C HN 0.340 nan 8.230 nan 0.000 0.438 280 R N 1.219 121.694 120.500 -0.041 0.000 2.484 280 R HA 0.479 4.819 4.340 0.000 0.000 0.293 280 R C 0.136 176.489 176.300 0.089 0.000 1.023 280 R CA 0.958 57.089 56.100 0.051 0.000 1.037 280 R CB -0.115 30.245 30.300 0.101 0.000 0.951 280 R HN 1.174 nan 8.270 nan 0.000 0.418 281 A N 3.519 126.409 122.820 0.117 0.000 2.363 281 A HA 0.229 4.549 4.320 0.000 0.000 0.270 281 A C 1.024 178.710 177.584 0.171 0.000 1.121 281 A CA 0.080 52.210 52.037 0.154 0.000 0.800 281 A CB 0.536 19.634 19.000 0.163 0.000 1.052 281 A HN 1.023 nan 8.150 nan 0.000 0.493 282 S N 1.995 117.808 115.700 0.189 0.000 2.461 282 S HA 0.053 4.523 4.470 0.000 0.000 0.228 282 S C 1.147 175.849 174.600 0.169 0.000 1.005 282 S CA 0.813 59.120 58.200 0.177 0.000 0.942 282 S CB -0.039 63.271 63.200 0.183 0.000 0.776 282 S HN 1.259 nan 8.310 nan 0.000 0.514 283 G N 2.062 110.988 108.800 0.210 0.000 4.125 283 G HA2 0.522 4.482 3.960 0.000 0.000 0.301 283 G HA3 0.522 4.482 3.960 0.000 0.000 0.301 283 G C -0.129 174.905 174.900 0.222 0.000 1.273 283 G CA -0.079 45.150 45.100 0.215 0.000 1.095 283 G HN 0.607 nan 8.290 nan 0.000 0.582 284 V N -2.695 117.334 119.914 0.191 0.000 3.074 284 V HA 0.570 4.690 4.120 0.000 0.000 0.314 284 V C 1.236 177.411 176.094 0.134 0.000 1.117 284 V CA -0.981 61.450 62.300 0.217 0.000 1.014 284 V CB 1.744 33.775 31.823 0.348 0.000 1.057 284 V HN 0.049 nan 8.190 nan 0.000 0.438 285 L N 2.331 123.642 121.223 0.146 0.000 2.131 285 L HA -0.027 4.313 4.340 0.000 0.000 0.210 285 L C 2.361 179.226 176.870 -0.008 0.000 1.092 285 L CA 2.980 57.879 54.840 0.099 0.000 0.759 285 L CB -0.607 41.537 42.059 0.142 0.000 0.903 285 L HN 1.092 nan 8.230 nan 0.000 0.435 286 T N -6.013 108.453 114.554 -0.146 0.000 3.148 286 T HA -0.022 4.328 4.350 0.000 0.000 0.253 286 T C 1.601 176.239 174.700 -0.104 0.000 1.134 286 T CA 0.781 62.750 62.100 -0.218 0.000 1.051 286 T CB -0.703 67.860 68.868 -0.510 0.000 0.959 286 T HN 0.265 nan 8.240 nan 0.000 0.525 287 T N 2.022 116.550 114.554 -0.043 0.000 2.635 287 T HA -0.173 4.177 4.350 0.000 0.000 0.267 287 T C 2.203 176.926 174.700 0.039 0.000 1.040 287 T CA 1.823 63.940 62.100 0.029 0.000 1.156 287 T CB -0.645 68.264 68.868 0.069 0.000 0.863 287 T HN 0.551 nan 8.240 nan 0.000 0.430 288 S N -0.225 115.469 115.700 -0.010 0.000 2.335 288 S HA -0.133 4.337 4.470 0.000 0.000 0.217 288 S C 2.455 177.067 174.600 0.020 0.000 1.032 288 S CA 1.311 59.492 58.200 -0.030 0.000 0.985 288 S CB -0.982 62.090 63.200 -0.213 0.000 0.896 288 S HN 0.669 nan 8.310 nan 0.000 0.445 289 C N 1.437 120.718 119.300 -0.032 0.000 2.413 289 C HA 0.088 4.548 4.460 0.000 0.000 0.276 289 C C 2.776 177.812 174.990 0.077 0.000 1.248 289 C CA 1.185 60.206 59.018 0.005 0.000 1.742 289 C CB -1.816 25.889 27.740 -0.057 0.000 2.017 289 C HN 0.722 nan 8.230 nan 0.000 0.481 290 G N 0.160 109.014 108.800 0.089 0.000 2.403 290 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 290 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 290 G C 1.529 176.517 174.900 0.147 0.000 1.154 290 G CA 0.843 46.004 45.100 0.102 0.000 0.784 290 G HN 0.574 nan 8.290 nan 0.000 0.538 291 N N 0.510 119.314 118.700 0.173 0.000 2.142 291 N HA -0.067 4.673 4.740 0.000 0.000 0.186 291 N C 2.416 178.005 175.510 0.133 0.000 1.023 291 N CA 1.534 54.729 53.050 0.241 0.000 0.852 291 N CB -0.666 37.898 38.487 0.129 0.000 0.998 291 N HN 0.214 nan 8.380 nan 0.000 0.424 292 T N 1.806 116.433 114.554 0.121 0.000 2.674 292 T HA -0.036 4.314 4.350 0.000 0.000 0.265 292 T C 2.130 176.922 174.700 0.153 0.000 1.039 292 T CA 0.801 62.987 62.100 0.144 0.000 1.150 292 T CB -0.434 68.589 68.868 0.258 0.000 0.864 292 T HN 0.123 nan 8.240 nan 0.000 0.427 293 L N 0.736 122.023 121.223 0.107 0.000 2.042 293 L HA -0.150 4.190 4.340 0.000 0.000 0.210 293 L C 2.898 179.854 176.870 0.144 0.000 1.076 293 L CA 1.323 56.210 54.840 0.078 0.000 0.749 293 L CB -1.040 41.019 42.059 -0.000 0.000 0.893 293 L HN 0.329 nan 8.230 nan 0.000 0.432 294 T N -1.711 112.953 114.554 0.183 0.000 2.812 294 T HA -0.195 4.155 4.350 0.000 0.000 0.264 294 T C 2.009 176.898 174.700 0.315 0.000 1.042 294 T CA 1.263 63.502 62.100 0.232 0.000 1.140 294 T CB -0.452 68.583 68.868 0.278 0.000 0.870 294 T HN 0.439 nan 8.240 nan 0.000 0.445 295 C N 0.731 120.256 119.300 0.376 0.000 2.432 295 C HA -0.068 4.392 4.460 0.000 0.000 0.277 295 C C 2.405 177.533 174.990 0.231 0.000 1.249 295 C CA 0.464 59.678 59.018 0.326 0.000 1.725 295 C CB -1.361 26.439 27.740 0.101 0.000 2.028 295 C HN 0.645 nan 8.230 nan 0.000 0.477 296 Y N 1.176 121.530 120.300 0.089 0.000 2.128 296 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 296 Y C 2.186 178.100 175.900 0.023 0.000 1.154 296 Y CA 2.169 60.302 58.100 0.056 0.000 1.149 296 Y CB -0.610 37.873 38.460 0.038 0.000 0.976 296 Y HN 0.348 nan 8.280 nan 0.000 0.505 297 L N 1.119 122.419 121.223 0.128 0.000 1.989 297 L HA -0.212 4.128 4.340 0.000 0.000 0.211 297 L C 2.115 178.887 176.870 -0.163 0.000 1.071 297 L CA 2.100 56.897 54.840 -0.072 0.000 0.749 297 L CB -0.988 41.003 42.059 -0.114 0.000 0.890 297 L HN 0.174 nan 8.230 nan 0.000 0.431 298 K N -0.393 119.974 120.400 -0.054 0.000 2.026 298 K HA -0.080 4.240 4.320 0.000 0.000 0.208 298 K C 2.128 178.721 176.600 -0.013 0.000 1.048 298 K CA 1.437 57.694 56.287 -0.050 0.000 0.929 298 K CB -0.506 32.068 32.500 0.123 0.000 0.713 298 K HN 0.510 nan 8.250 nan 0.000 0.439 299 A N 0.991 123.810 122.820 -0.002 0.000 1.883 299 A HA -0.190 4.130 4.320 0.000 0.000 0.217 299 A C 2.271 179.868 177.584 0.021 0.000 1.186 299 A CA 1.987 54.045 52.037 0.036 0.000 0.624 299 A CB -0.728 18.366 19.000 0.158 0.000 0.822 299 A HN 0.187 nan 8.150 nan 0.000 0.444 300 S N -0.583 115.016 115.700 -0.168 0.000 2.370 300 S HA -0.073 4.397 4.470 0.000 0.000 0.226 300 S C 2.229 176.764 174.600 -0.108 0.000 1.033 300 S CA 1.304 59.366 58.200 -0.229 0.000 1.011 300 S CB -0.389 62.505 63.200 -0.510 0.000 0.852 300 S HN 0.802 nan 8.310 nan 0.000 0.457 301 A N 0.744 123.517 122.820 -0.079 0.000 2.014 301 A HA 0.297 4.617 4.320 0.000 0.000 0.218 301 A C 2.191 179.819 177.584 0.072 0.000 1.163 301 A CA 1.388 53.440 52.037 0.025 0.000 0.652 301 A CB -0.657 18.373 19.000 0.050 0.000 0.808 301 A HN 0.503 nan 8.150 nan 0.000 0.449 302 A N -1.303 121.548 122.820 0.051 0.000 2.016 302 A HA -0.027 4.293 4.320 0.000 0.000 0.217 302 A C 2.138 179.747 177.584 0.042 0.000 1.162 302 A CA 1.330 53.281 52.037 -0.143 0.000 0.662 302 A CB -0.952 17.590 19.000 -0.764 0.000 0.812 302 A HN 0.560 nan 8.150 nan 0.000 0.450 303 C N -0.803 118.609 119.300 0.188 0.000 2.466 303 C HA -0.019 4.441 4.460 0.000 0.000 0.278 303 C C 2.825 177.820 174.990 0.009 0.000 1.288 303 C CA 0.847 59.994 59.018 0.215 0.000 1.722 303 C CB -1.173 26.657 27.740 0.150 0.000 2.017 303 C HN 0.610 nan 8.230 nan 0.000 0.488 304 R N 1.285 121.697 120.500 -0.147 0.000 2.073 304 R HA -0.099 4.242 4.340 0.000 0.000 0.234 304 R C 2.433 178.430 176.300 -0.506 0.000 1.134 304 R CA 1.632 57.507 56.100 -0.375 0.000 0.952 304 R CB -0.583 29.366 30.300 -0.586 0.000 0.850 304 R HN 0.535 nan 8.270 nan 0.000 0.433 305 A N 1.484 124.023 122.820 -0.468 0.000 1.883 305 A HA -0.132 4.188 4.320 0.000 0.000 0.217 305 A C 2.297 179.863 177.584 -0.030 0.000 1.186 305 A CA 1.827 53.780 52.037 -0.141 0.000 0.624 305 A CB -0.661 18.336 19.000 -0.006 0.000 0.822 305 A HN 0.408 nan 8.150 nan 0.000 0.444 306 A N -1.528 121.297 122.820 0.008 0.000 2.239 306 A HA 0.171 4.491 4.320 0.000 0.000 0.209 306 A C 1.031 178.637 177.584 0.037 0.000 1.171 306 A CA 0.931 53.005 52.037 0.061 0.000 0.768 306 A CB -0.517 18.588 19.000 0.174 0.000 0.790 306 A HN 0.501 nan 8.150 nan 0.000 0.478 307 K N -0.965 119.440 120.400 0.008 0.000 3.148 307 K HA -0.163 4.157 4.320 0.000 0.000 0.267 307 K C -0.820 175.788 176.600 0.015 0.000 0.996 307 K CA 0.388 56.678 56.287 0.007 0.000 0.737 307 K CB -1.792 30.718 32.500 0.016 0.000 1.308 307 K HN 0.554 nan 8.250 nan 0.000 0.470 308 L N 1.640 122.878 121.223 0.025 0.000 2.416 308 L HA 0.035 4.375 4.340 0.000 0.000 0.272 308 L C 1.088 177.962 176.870 0.006 0.000 1.161 308 L CA -0.110 54.745 54.840 0.024 0.000 0.845 308 L CB 0.537 42.624 42.059 0.047 0.000 1.119 308 L HN 0.083 nan 8.230 nan 0.000 0.464 309 Q N 2.992 122.790 119.800 -0.003 0.000 2.307 309 Q HA 0.057 4.397 4.340 0.000 0.000 0.259 309 Q C -0.432 175.553 176.000 -0.025 0.000 0.998 309 Q CA -0.124 55.671 55.803 -0.013 0.000 0.923 309 Q CB 0.727 29.454 28.738 -0.017 0.000 1.196 309 Q HN 0.479 nan 8.270 nan 0.000 0.416 310 D N 1.172 121.560 120.400 -0.022 0.000 3.082 310 D HA -0.177 4.463 4.640 0.000 0.000 0.234 310 D C -1.123 175.156 176.300 -0.035 0.000 1.159 310 D CA 0.205 54.188 54.000 -0.028 0.000 0.875 310 D CB -0.743 40.032 40.800 -0.041 0.000 0.946 310 D HN 0.540 nan 8.370 nan 0.000 0.411 311 C N 1.952 121.239 119.300 -0.022 0.000 2.585 311 C HA 0.513 4.973 4.460 0.000 0.000 0.406 311 C C 0.908 175.889 174.990 -0.015 0.000 1.312 311 C CA -0.189 58.813 59.018 -0.026 0.000 1.924 311 C CB 0.545 28.277 27.740 -0.013 0.000 2.578 311 C HN 0.507 nan 8.230 nan 0.000 0.580 312 T N 5.946 120.481 114.554 -0.030 0.000 2.815 312 T HA 0.443 4.793 4.350 0.000 0.000 0.289 312 T C -0.253 174.460 174.700 0.022 0.000 1.000 312 T CA -0.229 61.881 62.100 0.017 0.000 0.958 312 T CB 0.725 69.578 68.868 -0.026 0.000 0.944 312 T HN 0.522 nan 8.240 nan 0.000 0.442 313 M N 3.376 123.032 119.600 0.093 0.000 2.423 313 M HA 0.583 5.063 4.480 0.000 0.000 0.335 313 M C -1.101 175.309 176.300 0.183 0.000 1.177 313 M CA -1.056 54.294 55.300 0.083 0.000 1.038 313 M CB 1.865 34.509 32.600 0.074 0.000 1.641 313 M HN 0.346 nan 8.290 nan 0.000 0.455 314 L N 3.370 124.666 121.223 0.122 0.000 2.406 314 L HA 0.684 5.024 4.340 0.000 0.000 0.272 314 L C -1.448 175.431 176.870 0.015 0.000 0.980 314 L CA -0.482 54.428 54.840 0.117 0.000 0.831 314 L CB 1.859 44.022 42.059 0.173 0.000 1.253 314 L HN 0.481 nan 8.230 nan 0.000 0.406 315 V N 4.263 124.165 119.914 -0.020 0.000 2.588 315 V HA 0.576 4.696 4.120 0.000 0.000 0.304 315 V C -0.830 175.105 176.094 -0.265 0.000 1.042 315 V CA -0.642 61.624 62.300 -0.057 0.000 0.877 315 V CB 2.098 33.981 31.823 0.099 0.000 0.996 315 V HN 0.800 nan 8.190 nan 0.000 0.425 316 N N 3.402 121.898 118.700 -0.340 0.000 2.716 316 N HA 0.592 5.332 4.740 0.000 0.000 0.253 316 N C 0.557 175.960 175.510 -0.179 0.000 1.170 316 N CA 0.496 53.143 53.050 -0.671 0.000 0.807 316 N CB 1.674 39.563 38.487 -0.997 0.000 1.183 316 N HN 1.080 nan 8.380 nan 0.000 0.524 317 G N 2.285 111.143 108.800 0.096 0.000 2.602 317 G HA2 -0.414 3.546 3.960 0.000 0.000 0.310 317 G HA3 -0.414 3.546 3.960 0.000 0.000 0.310 317 G C 0.588 175.370 174.900 -0.197 0.000 1.183 317 G CA 0.838 45.976 45.100 0.063 0.000 0.979 317 G HN 0.589 nan 8.290 nan 0.000 0.545 318 D N 1.216 121.421 120.400 -0.324 0.000 2.350 318 D HA 0.118 4.758 4.640 0.000 0.000 0.213 318 D C 0.487 176.621 176.300 -0.277 0.000 1.031 318 D CA 0.788 54.385 54.000 -0.672 0.000 0.861 318 D CB -0.152 40.214 40.800 -0.722 0.000 0.926 318 D HN 0.434 nan 8.370 nan 0.000 0.520 319 D N 0.652 120.965 120.400 -0.145 0.000 2.312 319 D HA 0.260 4.900 4.640 0.000 0.000 0.252 319 D C -0.954 175.312 176.300 -0.058 0.000 1.150 319 D CA -0.426 53.530 54.000 -0.072 0.000 0.870 319 D CB 1.020 41.773 40.800 -0.078 0.000 1.153 319 D HN 0.040 nan 8.370 nan 0.000 0.457 320 L N 5.262 126.493 121.223 0.013 0.000 2.409 320 L HA 0.480 4.820 4.340 0.000 0.000 0.272 320 L C -1.692 175.174 176.870 -0.007 0.000 0.980 320 L CA -0.726 54.137 54.840 0.039 0.000 0.826 320 L CB 1.867 44.023 42.059 0.160 0.000 1.268 320 L HN 0.141 nan 8.230 nan 0.000 0.407 321 V N 6.081 125.948 119.914 -0.079 0.000 2.638 321 V HA 0.785 4.906 4.120 0.000 0.000 0.306 321 V C -1.441 174.490 176.094 -0.272 0.000 1.052 321 V CA -0.354 61.840 62.300 -0.177 0.000 0.885 321 V CB 2.335 34.089 31.823 -0.115 0.000 0.999 321 V HN 0.570 nan 8.190 nan 0.000 0.424 322 V N 7.905 127.481 119.914 -0.564 0.000 2.487 322 V HA 0.585 4.706 4.120 0.000 0.000 0.298 322 V C -0.274 175.564 176.094 -0.426 0.000 1.028 322 V CA -0.431 61.509 62.300 -0.599 0.000 0.860 322 V CB 1.682 32.855 31.823 -1.083 0.000 0.991 322 V HN 0.755 nan 8.190 nan 0.000 0.427 323 I N 4.953 125.401 120.570 -0.203 0.000 2.474 323 I HA 0.764 4.934 4.170 0.000 0.000 0.294 323 I C 0.008 176.050 176.117 -0.124 0.000 1.005 323 I CA -0.350 60.888 61.300 -0.103 0.000 1.113 323 I CB 1.843 39.830 38.000 -0.021 0.000 1.289 323 I HN 0.917 nan 8.210 nan 0.000 0.436 324 C N 2.364 121.586 119.300 -0.130 0.000 3.292 324 C HA 0.546 5.006 4.460 0.000 0.000 0.369 324 C C -0.920 173.981 174.990 -0.149 0.000 1.664 324 C CA -0.883 58.067 59.018 -0.112 0.000 1.204 324 C CB 1.769 29.477 27.740 -0.053 0.000 1.978 324 C HN 0.643 nan 8.230 nan 0.000 0.435 325 E N 1.649 121.786 120.200 -0.105 0.000 2.259 325 E HA 0.377 4.727 4.350 0.000 0.000 0.281 325 E C -0.260 176.307 176.600 -0.055 0.000 1.027 325 E CA 0.361 56.701 56.400 -0.101 0.000 0.838 325 E CB 1.816 31.471 29.700 -0.076 0.000 1.066 325 E HN 0.681 nan 8.360 nan 0.000 0.401 326 S N 1.436 117.113 115.700 -0.039 0.000 2.545 326 S HA 0.347 4.817 4.470 0.000 0.000 0.275 326 S C 0.257 174.871 174.600 0.023 0.000 1.299 326 S CA -0.232 57.993 58.200 0.041 0.000 1.048 326 S CB 0.596 63.883 63.200 0.145 0.000 0.938 326 S HN 0.524 nan 8.310 nan 0.000 0.496 327 A N 3.622 126.464 122.820 0.035 0.000 2.630 327 A HA 0.663 4.983 4.320 0.000 0.000 0.290 327 A C 0.842 178.436 177.584 0.018 0.000 1.267 327 A CA 0.094 52.141 52.037 0.016 0.000 0.950 327 A CB -0.997 18.010 19.000 0.010 0.000 1.144 327 A HN 1.833 nan 8.150 nan 0.000 0.527 328 G N -1.469 107.345 108.800 0.024 0.000 2.629 328 G HA2 -0.049 3.911 3.960 0.000 0.000 0.686 328 G HA3 -0.049 3.911 3.960 0.000 0.000 0.686 328 G C 0.433 175.352 174.900 0.032 0.000 1.232 328 G CA -0.243 44.856 45.100 -0.001 0.000 0.803 328 G HN 0.432 nan 8.290 nan 0.000 0.638 329 T N 0.250 114.790 114.554 -0.024 0.000 2.635 329 T HA -0.223 4.127 4.350 0.000 0.000 0.267 329 T C 2.249 176.993 174.700 0.073 0.000 1.040 329 T CA 2.205 64.319 62.100 0.023 0.000 1.156 329 T CB -0.261 68.569 68.868 -0.063 0.000 0.863 329 T HN 0.652 nan 8.240 nan 0.000 0.430 330 Q N 0.020 119.837 119.800 0.030 0.000 2.172 330 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 330 Q C 2.234 178.249 176.000 0.025 0.000 0.964 330 Q CA 0.940 56.758 55.803 0.025 0.000 0.855 330 Q CB 0.105 28.849 28.738 0.010 0.000 0.918 330 Q HN 0.500 nan 8.270 nan 0.000 0.444 331 E N 0.881 121.097 120.200 0.026 0.000 2.072 331 E HA -0.155 4.195 4.350 0.000 0.000 0.190 331 E C 1.591 178.204 176.600 0.021 0.000 0.982 331 E CA 0.885 57.297 56.400 0.019 0.000 0.803 331 E CB -0.237 29.472 29.700 0.016 0.000 0.755 331 E HN 0.411 nan 8.360 nan 0.000 0.453 332 D N 1.253 121.680 120.400 0.045 0.000 2.149 332 D HA -0.105 4.535 4.640 0.000 0.000 0.198 332 D C 1.845 178.137 176.300 -0.014 0.000 0.990 332 D CA 1.505 55.524 54.000 0.031 0.000 0.839 332 D CB -0.204 40.658 40.800 0.104 0.000 0.948 332 D HN 0.185 nan 8.370 nan 0.000 0.460 333 A N 0.769 123.597 122.820 0.013 0.000 1.969 333 A HA 0.031 4.351 4.320 0.000 0.000 0.218 333 A C 2.270 179.838 177.584 -0.025 0.000 1.169 333 A CA 1.841 53.871 52.037 -0.011 0.000 0.635 333 A CB -0.413 18.598 19.000 0.018 0.000 0.810 333 A HN 0.234 nan 8.150 nan 0.000 0.445 334 A N -0.705 122.108 122.820 -0.012 0.000 1.929 334 A HA 0.027 4.347 4.320 0.000 0.000 0.216 334 A C 2.392 179.967 177.584 -0.015 0.000 1.176 334 A CA 1.710 53.741 52.037 -0.010 0.000 0.628 334 A CB -0.714 18.285 19.000 -0.001 0.000 0.816 334 A HN 0.416 nan 8.150 nan 0.000 0.444 335 S N 0.204 115.890 115.700 -0.023 0.000 2.370 335 S HA -0.104 4.366 4.470 0.000 0.000 0.226 335 S C 1.805 176.375 174.600 -0.050 0.000 1.033 335 S CA 1.406 59.592 58.200 -0.024 0.000 1.011 335 S CB -0.413 62.769 63.200 -0.030 0.000 0.852 335 S HN 0.510 nan 8.310 nan 0.000 0.457 336 L N 0.806 121.944 121.223 -0.142 0.000 2.093 336 L HA -0.067 4.273 4.340 0.000 0.000 0.208 336 L C 2.687 179.527 176.870 -0.050 0.000 1.085 336 L CA 1.227 55.923 54.840 -0.240 0.000 0.755 336 L CB -0.547 41.291 42.059 -0.367 0.000 0.904 336 L HN 0.279 nan 8.230 nan 0.000 0.435 337 R N -0.472 120.013 120.500 -0.026 0.000 2.081 337 R HA -0.116 4.224 4.340 0.000 0.000 0.235 337 R C 2.263 178.576 176.300 0.022 0.000 1.131 337 R CA 1.106 57.210 56.100 0.007 0.000 0.960 337 R CB -0.373 29.925 30.300 -0.003 0.000 0.856 337 R HN 0.179 nan 8.270 nan 0.000 0.436 338 V N 0.700 120.627 119.914 0.021 0.000 2.358 338 V HA -0.244 3.876 4.120 0.000 0.000 0.246 338 V C 1.930 178.036 176.094 0.020 0.000 1.047 338 V CA 1.702 64.010 62.300 0.014 0.000 1.035 338 V CB -0.570 31.263 31.823 0.017 0.000 0.658 338 V HN 0.214 nan 8.190 nan 0.000 0.452 339 F N 1.510 121.404 119.950 -0.092 0.000 2.091 339 F HA -0.264 4.263 4.527 0.000 0.000 0.299 339 F C 2.456 178.188 175.800 -0.113 0.000 1.103 339 F CA 2.424 60.362 58.000 -0.104 0.000 1.228 339 F CB -0.519 38.404 39.000 -0.128 0.000 0.984 339 F HN 0.115 nan 8.300 nan 0.000 0.477 340 T N -0.190 114.436 114.554 0.121 0.000 2.833 340 T HA -0.178 4.172 4.350 0.000 0.000 0.269 340 T C 1.695 176.384 174.700 -0.018 0.000 1.054 340 T CA 1.633 63.806 62.100 0.121 0.000 1.135 340 T CB -0.306 68.699 68.868 0.227 0.000 0.869 340 T HN 0.387 nan 8.240 nan 0.000 0.466 341 E N 0.950 121.116 120.200 -0.056 0.000 2.051 341 E HA -0.062 4.288 4.350 0.000 0.000 0.192 341 E C 2.553 179.026 176.600 -0.212 0.000 0.991 341 E CA 1.021 57.362 56.400 -0.099 0.000 0.799 341 E CB -0.212 29.443 29.700 -0.075 0.000 0.748 341 E HN 0.472 nan 8.360 nan 0.000 0.449 342 A N 1.189 123.826 122.820 -0.305 0.000 1.858 342 A HA -0.210 4.110 4.320 0.000 0.000 0.216 342 A C 2.160 179.332 177.584 -0.687 0.000 1.190 342 A CA 1.431 53.138 52.037 -0.550 0.000 0.617 342 A CB -0.388 18.322 19.000 -0.483 0.000 0.827 342 A HN 0.129 nan 8.150 nan 0.000 0.443 343 M N -0.224 119.099 119.600 -0.463 0.000 2.108 343 M HA -0.132 4.348 4.480 0.000 0.000 0.261 343 M C 2.208 178.460 176.300 -0.080 0.000 1.066 343 M CA 2.156 57.320 55.300 -0.226 0.000 1.107 343 M CB -2.087 30.338 32.600 -0.292 0.000 1.356 343 M HN 0.465 nan 8.290 nan 0.000 0.406 344 T N 0.219 114.723 114.554 -0.084 0.000 2.720 344 T HA -0.138 4.212 4.350 0.000 0.000 0.268 344 T C 1.988 176.640 174.700 -0.080 0.000 1.037 344 T CA 1.253 63.331 62.100 -0.037 0.000 1.144 344 T CB -0.219 68.630 68.868 -0.031 0.000 0.864 344 T HN 0.388 nan 8.240 nan 0.000 0.444 345 R N -0.035 120.349 120.500 -0.192 0.000 2.120 345 R HA -0.050 4.290 4.340 0.000 0.000 0.234 345 R C 1.701 177.925 176.300 -0.126 0.000 1.123 345 R CA 1.088 57.066 56.100 -0.204 0.000 0.975 345 R CB -0.286 29.830 30.300 -0.308 0.000 0.866 345 R HN 0.439 nan 8.270 nan 0.000 0.446 346 Y N 0.292 120.546 120.300 -0.076 0.000 2.553 346 Y HA 0.069 4.619 4.550 -0.000 0.000 0.303 346 Y C 0.846 176.710 175.900 -0.061 0.000 1.194 346 Y CA -0.205 57.840 58.100 -0.092 0.000 1.305 346 Y CB -0.319 38.111 38.460 -0.049 0.000 1.045 346 Y HN -0.023 nan 8.280 nan 0.000 0.514 347 S N -0.013 115.736 115.700 0.082 0.000 3.886 347 S HA -0.103 4.367 4.470 0.000 0.000 0.398 347 S C -0.087 174.556 174.600 0.070 0.000 0.931 347 S CA 0.435 58.674 58.200 0.065 0.000 1.217 347 S CB -1.409 61.816 63.200 0.042 0.000 0.874 347 S HN 0.773 nan 8.310 nan 0.000 0.521 348 A N 2.033 124.917 122.820 0.106 0.000 3.453 348 A HA 0.588 4.908 4.320 0.000 0.000 0.262 348 A C -2.383 175.345 177.584 0.241 0.000 1.026 348 A CA -0.674 51.466 52.037 0.172 0.000 0.938 348 A CB 0.926 20.073 19.000 0.245 0.000 1.246 348 A HN 0.458 nan 8.150 nan 0.000 0.546 349 P HA 0.333 nan 4.420 nan 0.000 0.274 349 P C -2.861 174.497 177.300 0.096 0.000 1.231 349 P CA -1.038 62.129 63.100 0.112 0.000 0.790 349 P CB 0.722 32.420 31.700 -0.003 0.000 0.951 350 P HA 0.106 nan 4.420 nan 0.000 0.276 350 P C 0.833 178.072 177.300 -0.101 0.000 1.252 350 P CA -0.031 62.971 63.100 -0.163 0.000 0.802 350 P CB 0.696 32.263 31.700 -0.221 0.000 1.035 351 G N 0.853 109.584 108.800 -0.116 0.000 2.499 351 G HA2 -0.010 3.950 3.960 0.000 0.000 0.213 351 G HA3 -0.010 3.950 3.960 0.000 0.000 0.213 351 G C -0.039 174.822 174.900 -0.064 0.000 1.230 351 G CA 0.227 45.288 45.100 -0.066 0.000 0.813 351 G HN 0.541 nan 8.290 nan 0.000 0.542 352 D N 1.705 122.062 120.400 -0.072 0.000 2.181 352 D HA 0.349 4.989 4.640 0.000 0.000 0.248 352 D C -2.577 173.687 176.300 -0.060 0.000 1.020 352 D CA -1.386 52.583 54.000 -0.052 0.000 0.891 352 D CB 1.718 42.496 40.800 -0.036 0.000 1.187 352 D HN 0.071 nan 8.370 nan 0.000 0.443 353 P HA 0.125 nan 4.420 nan 0.000 0.268 353 P C -2.405 174.894 177.300 -0.001 0.000 1.204 353 P CA -0.948 62.147 63.100 -0.008 0.000 0.768 353 P CB -0.290 31.411 31.700 0.001 0.000 0.842 354 P HA 0.113 nan 4.420 nan 0.000 0.271 354 P C -0.553 176.738 177.300 -0.014 0.000 1.216 354 P CA 0.196 63.327 63.100 0.051 0.000 0.776 354 P CB 0.641 32.418 31.700 0.129 0.000 0.881 355 Q N 2.490 122.296 119.800 0.009 0.000 2.365 355 Q HA 0.453 4.793 4.340 0.000 0.000 0.269 355 Q C -2.388 173.604 176.000 -0.014 0.000 1.061 355 Q CA -2.248 53.548 55.803 -0.012 0.000 0.816 355 Q CB 1.538 30.284 28.738 0.013 0.000 1.325 355 Q HN 0.374 nan 8.270 nan 0.000 0.446 356 P HA 0.210 nan 4.420 nan 0.000 0.282 356 P C -0.489 176.684 177.300 -0.211 0.000 1.262 356 P CA -0.207 62.805 63.100 -0.148 0.000 0.773 356 P CB 1.109 32.679 31.700 -0.217 0.000 0.879 357 E N 2.352 122.436 120.200 -0.193 0.000 2.191 357 E HA 0.208 4.558 4.350 0.000 0.000 0.274 357 E C -0.367 176.126 176.600 -0.178 0.000 0.948 357 E CA -0.459 55.869 56.400 -0.119 0.000 0.802 357 E CB 1.242 30.935 29.700 -0.013 0.000 1.137 357 E HN 0.449 nan 8.360 nan 0.000 0.397 358 Y N -0.094 120.340 120.300 0.224 0.000 2.531 358 Y HA 0.148 4.698 4.550 0.000 0.000 0.249 358 Y C 0.274 176.416 175.900 0.404 0.000 1.168 358 Y CA -0.403 57.886 58.100 0.315 0.000 1.226 358 Y CB 0.944 39.501 38.460 0.163 0.000 1.177 358 Y HN 0.264 nan 8.280 nan 0.000 0.527 359 D N 0.044 120.613 120.400 0.281 0.000 2.549 359 D HA 0.130 4.770 4.640 0.000 0.000 0.251 359 D C 0.553 176.633 176.300 -0.366 0.000 1.153 359 D CA -0.406 53.620 54.000 0.043 0.000 0.861 359 D CB 1.652 42.481 40.800 0.049 0.000 1.207 359 D HN 0.050 nan 8.370 nan 0.000 0.543 360 L N 4.035 124.703 121.223 -0.925 0.000 2.079 360 L HA -0.070 4.270 4.340 0.000 0.000 0.210 360 L C 1.637 178.177 176.870 -0.551 0.000 1.081 360 L CA 1.924 56.045 54.840 -1.198 0.000 0.752 360 L CB -0.327 40.788 42.059 -1.574 0.000 0.896 360 L HN 0.567 nan 8.230 nan 0.000 0.433 361 E N -0.795 119.194 120.200 -0.353 0.000 2.333 361 E HA -0.165 4.185 4.350 0.000 0.000 0.198 361 E C 1.742 178.255 176.600 -0.144 0.000 1.007 361 E CA 0.763 57.043 56.400 -0.199 0.000 0.845 361 E CB -0.152 29.481 29.700 -0.113 0.000 0.766 361 E HN 0.531 nan 8.360 nan 0.000 0.507 362 L N 0.955 122.092 121.223 -0.144 0.000 2.628 362 L HA 0.230 4.570 4.340 0.000 0.000 0.229 362 L C 0.401 177.221 176.870 -0.084 0.000 1.137 362 L CA -0.162 54.629 54.840 -0.082 0.000 0.909 362 L CB 0.252 42.287 42.059 -0.039 0.000 1.137 362 L HN 0.005 nan 8.230 nan 0.000 0.470 363 I N -0.170 120.321 120.570 -0.132 0.000 2.336 363 I HA 0.196 4.366 4.170 0.000 0.000 0.292 363 I C -0.110 175.958 176.117 -0.082 0.000 0.991 363 I CA -0.091 61.145 61.300 -0.107 0.000 1.227 363 I CB 1.755 39.661 38.000 -0.157 0.000 1.366 363 I HN -0.089 nan 8.210 nan 0.000 0.466 364 T N 4.460 118.989 114.554 -0.042 0.000 2.756 364 T HA 0.452 4.802 4.350 0.000 0.000 0.290 364 T C -0.246 174.445 174.700 -0.016 0.000 0.985 364 T CA -0.662 61.425 62.100 -0.021 0.000 0.955 364 T CB 0.889 69.755 68.868 -0.004 0.000 0.930 364 T HN 0.712 nan 8.240 nan 0.000 0.451 365 S N 0.785 116.475 115.700 -0.016 0.000 2.575 365 S HA 0.425 4.895 4.470 0.000 0.000 0.278 365 S C 0.124 174.722 174.600 -0.002 0.000 1.139 365 S CA -0.813 57.375 58.200 -0.020 0.000 0.954 365 S CB 0.552 63.723 63.200 -0.049 0.000 1.054 365 S HN 0.898 nan 8.310 nan 0.000 0.483 366 C N 2.349 121.649 119.300 -0.000 0.000 4.350 366 C HA -0.168 4.292 4.460 0.000 0.000 0.302 366 C C 1.382 176.434 174.990 0.104 0.000 1.390 366 C CA 0.719 59.758 59.018 0.034 0.000 2.016 366 C CB -3.272 24.473 27.740 0.008 0.000 1.271 366 C HN 1.731 nan 8.230 nan 0.000 0.760 367 S N -1.832 113.922 115.700 0.089 0.000 3.380 367 S HA -0.196 4.274 4.470 0.000 0.000 0.300 367 S C 0.207 174.888 174.600 0.136 0.000 1.255 367 S CA 1.302 59.567 58.200 0.108 0.000 0.963 367 S CB -0.915 62.370 63.200 0.141 0.000 1.106 367 S HN 1.082 nan 8.310 nan 0.000 0.629 368 S N 1.984 117.758 115.700 0.123 0.000 2.548 368 S HA 0.699 5.169 4.470 0.000 0.000 0.286 368 S C -0.402 174.226 174.600 0.047 0.000 1.098 368 S CA -1.014 57.277 58.200 0.151 0.000 0.930 368 S CB 1.729 65.071 63.200 0.237 0.000 1.070 368 S HN 0.552 nan 8.310 nan 0.000 0.480 369 N N -0.083 118.629 118.700 0.021 0.000 2.265 369 N HA 0.497 5.237 4.740 0.000 0.000 0.300 369 N C -1.127 174.317 175.510 -0.110 0.000 1.148 369 N CA -0.638 52.376 53.050 -0.059 0.000 0.772 369 N CB 1.124 39.572 38.487 -0.066 0.000 1.434 369 N HN 0.313 nan 8.380 nan 0.000 0.481 370 V N 0.428 120.244 119.914 -0.163 0.000 2.614 370 V HA 0.380 4.500 4.120 0.000 0.000 0.291 370 V C 0.624 176.597 176.094 -0.202 0.000 1.049 370 V CA -0.045 62.138 62.300 -0.196 0.000 1.038 370 V CB 0.727 32.419 31.823 -0.218 0.000 0.980 370 V HN 0.870 nan 8.190 nan 0.000 0.481 371 S N 2.758 118.274 115.700 -0.306 0.000 2.671 371 S HA 0.784 5.254 4.470 0.000 0.000 0.277 371 S C -1.421 173.106 174.600 -0.122 0.000 1.165 371 S CA -0.479 57.584 58.200 -0.227 0.000 0.822 371 S CB 2.085 65.124 63.200 -0.269 0.000 1.150 371 S HN 0.653 nan 8.310 nan 0.000 0.479 372 V N 1.355 121.300 119.914 0.052 0.000 2.789 372 V HA 0.966 5.086 4.120 0.000 0.000 0.311 372 V C -0.162 175.927 176.094 -0.008 0.000 1.073 372 V CA 0.223 62.502 62.300 -0.036 0.000 0.921 372 V CB 1.289 32.904 31.823 -0.347 0.000 1.009 372 V HN 1.278 nan 8.190 nan 0.000 0.426 373 A N 4.286 126.975 122.820 -0.218 0.000 2.486 373 A HA 0.953 5.273 4.320 0.000 0.000 0.277 373 A C -1.558 175.668 177.584 -0.597 0.000 1.282 373 A CA -0.533 51.246 52.037 -0.430 0.000 0.784 373 A CB 1.576 20.092 19.000 -0.805 0.000 1.350 373 A HN 0.986 nan 8.150 nan 0.000 0.454 374 H N 0.152 118.864 119.070 -0.596 0.000 2.572 374 H HA 0.489 5.045 4.556 0.000 0.000 0.359 374 H C -0.705 174.272 175.328 -0.585 0.000 1.134 374 H CA -0.381 55.332 56.048 -0.558 0.000 1.187 374 H CB 1.339 30.748 29.762 -0.588 0.000 1.597 374 H HN 0.788 nan 8.280 nan 0.000 0.524 375 D N 1.022 121.321 120.400 -0.168 0.000 2.469 375 D HA 0.244 4.884 4.640 0.000 0.000 0.278 375 D C 1.377 177.772 176.300 0.159 0.000 1.231 375 D CA -0.293 53.686 54.000 -0.035 0.000 1.075 375 D CB 0.127 40.909 40.800 -0.030 0.000 1.121 375 D HN 0.484 nan 8.370 nan 0.000 0.571 376 A N -0.257 122.649 122.820 0.144 0.000 1.908 376 A HA -0.157 4.163 4.320 0.000 0.000 0.218 376 A C 2.011 179.668 177.584 0.122 0.000 1.181 376 A CA 2.582 54.704 52.037 0.141 0.000 0.627 376 A CB -1.244 17.809 19.000 0.089 0.000 0.818 376 A HN 0.632 nan 8.150 nan 0.000 0.445 377 S N -1.750 114.006 115.700 0.094 0.000 2.607 377 S HA 0.364 4.834 4.470 0.000 0.000 0.224 377 S C 1.363 176.020 174.600 0.095 0.000 0.969 377 S CA 0.973 59.217 58.200 0.073 0.000 0.927 377 S CB -0.443 62.785 63.200 0.048 0.000 0.772 377 S HN 1.959 nan 8.310 nan 0.000 0.533 378 G N 1.189 110.084 108.800 0.158 0.000 2.143 378 G HA2 -0.302 3.658 3.960 0.000 0.000 0.249 378 G HA3 -0.302 3.658 3.960 0.000 0.000 0.249 378 G C -0.073 174.928 174.900 0.169 0.000 0.981 378 G CA 0.362 45.574 45.100 0.187 0.000 0.665 378 G HN 0.713 nan 8.290 nan 0.000 0.528 379 K N 0.465 120.904 120.400 0.065 0.000 2.144 379 K HA 0.467 4.787 4.320 0.000 0.000 0.270 379 K C 0.710 177.207 176.600 -0.171 0.000 1.005 379 K CA -0.864 55.414 56.287 -0.015 0.000 0.932 379 K CB 0.416 32.904 32.500 -0.020 0.000 1.021 379 K HN 0.260 nan 8.250 nan 0.000 0.462 380 R N 1.776 122.112 120.500 -0.273 0.000 2.449 380 R HA 0.136 4.476 4.340 0.000 0.000 0.296 380 R C -0.745 175.311 176.300 -0.406 0.000 1.047 380 R CA -0.258 55.537 56.100 -0.508 0.000 1.018 380 R CB 0.709 30.720 30.300 -0.482 0.000 0.962 380 R HN 0.237 nan 8.270 nan 0.000 0.428 381 V N 5.108 124.753 119.914 -0.447 0.000 2.531 381 V HA 0.241 4.361 4.120 0.000 0.000 0.301 381 V C -0.864 175.079 176.094 -0.251 0.000 1.034 381 V CA -0.897 61.241 62.300 -0.270 0.000 0.865 381 V CB 1.266 32.981 31.823 -0.180 0.000 0.995 381 V HN 0.574 nan 8.190 nan 0.000 0.424 382 Y N 5.351 125.646 120.300 -0.009 0.000 2.299 382 Y HA 0.615 5.165 4.550 0.000 0.000 0.326 382 Y C 0.031 176.005 175.900 0.123 0.000 1.164 382 Y CA -0.184 57.932 58.100 0.026 0.000 1.234 382 Y CB 1.057 39.487 38.460 -0.050 0.000 1.219 382 Y HN 0.723 nan 8.280 nan 0.000 0.497 383 Y N -0.184 120.178 120.300 0.103 0.000 2.625 383 Y HA 0.730 5.280 4.550 0.000 0.000 0.338 383 Y C -2.057 173.899 175.900 0.093 0.000 1.123 383 Y CA -2.151 55.991 58.100 0.069 0.000 1.046 383 Y CB 0.753 39.220 38.460 0.012 0.000 1.299 383 Y HN 0.431 nan 8.280 nan 0.000 0.464 384 L N 2.544 123.795 121.223 0.047 0.000 2.307 384 L HA 0.722 5.062 4.340 0.000 0.000 0.282 384 L C 0.191 177.180 176.870 0.199 0.000 1.051 384 L CA -0.380 54.470 54.840 0.018 0.000 0.804 384 L CB 1.844 43.951 42.059 0.080 0.000 1.197 384 L HN 1.007 nan 8.230 nan 0.000 0.431 385 T N 2.582 117.237 114.554 0.169 0.000 2.778 385 T HA 0.774 5.124 4.350 0.000 0.000 0.293 385 T C -1.247 173.595 174.700 0.236 0.000 1.144 385 T CA -0.639 61.652 62.100 0.318 0.000 1.010 385 T CB 1.801 70.806 68.868 0.228 0.000 1.325 385 T HN 0.813 nan 8.240 nan 0.000 0.515 386 R N 0.403 120.991 120.500 0.146 0.000 2.762 386 R HA 0.509 4.849 4.340 0.000 0.000 0.271 386 R C -1.512 174.683 176.300 -0.175 0.000 1.038 386 R CA -1.001 55.080 56.100 -0.032 0.000 0.906 386 R CB 0.286 30.520 30.300 -0.110 0.000 1.259 386 R HN 0.492 nan 8.270 nan 0.000 0.457 387 D N 1.704 121.979 120.400 -0.208 0.000 2.401 387 D HA 0.073 4.713 4.640 0.000 0.000 0.254 387 D C -1.406 174.567 176.300 -0.545 0.000 1.192 387 D CA -1.400 52.424 54.000 -0.293 0.000 0.885 387 D CB 1.317 42.016 40.800 -0.169 0.000 1.147 387 D HN 0.315 nan 8.370 nan 0.000 0.478 388 P HA 0.010 nan 4.420 nan 0.000 0.253 388 P C 1.102 178.056 177.300 -0.576 0.000 1.260 388 P CA 0.115 62.509 63.100 -1.176 0.000 0.800 388 P CB 0.345 31.162 31.700 -1.471 0.000 1.162 389 T N -0.193 114.155 114.554 -0.343 0.000 2.652 389 T HA -0.121 4.229 4.350 0.000 0.000 0.267 389 T C 1.737 176.370 174.700 -0.112 0.000 1.039 389 T CA 2.339 64.339 62.100 -0.166 0.000 1.153 389 T CB -0.945 67.870 68.868 -0.088 0.000 0.863 389 T HN 0.211 nan 8.240 nan 0.000 0.428 390 T N 2.121 116.612 114.554 -0.105 0.000 2.701 390 T HA -0.038 4.312 4.350 0.000 0.000 0.263 390 T C -0.529 174.123 174.700 -0.080 0.000 1.040 390 T CA 1.099 63.169 62.100 -0.051 0.000 1.147 390 T CB -1.293 67.582 68.868 0.011 0.000 0.865 390 T HN 0.312 nan 8.240 nan 0.000 0.426 391 P HA -0.043 nan 4.420 nan 0.000 0.217 391 P C 1.469 178.778 177.300 0.016 0.000 1.151 391 P CA 1.000 64.069 63.100 -0.052 0.000 0.849 391 P CB -0.179 31.430 31.700 -0.151 0.000 0.787 392 L N -1.701 119.490 121.223 -0.053 0.000 2.131 392 L HA -0.058 4.282 4.340 0.000 0.000 0.206 392 L C 2.422 179.327 176.870 0.059 0.000 1.087 392 L CA 1.259 56.108 54.840 0.014 0.000 0.767 392 L CB -1.039 40.991 42.059 -0.049 0.000 0.917 392 L HN -0.041 nan 8.230 nan 0.000 0.441 393 A N 0.334 123.177 122.820 0.039 0.000 1.902 393 A HA -0.194 4.126 4.320 0.000 0.000 0.217 393 A C 2.354 180.006 177.584 0.114 0.000 1.181 393 A CA 1.342 53.427 52.037 0.080 0.000 0.623 393 A CB -0.402 18.629 19.000 0.051 0.000 0.818 393 A HN 0.320 nan 8.150 nan 0.000 0.443 394 R N -0.633 119.903 120.500 0.061 0.000 2.115 394 R HA 0.011 4.351 4.340 0.000 0.000 0.226 394 R C 2.426 178.870 176.300 0.239 0.000 1.100 394 R CA 0.981 57.131 56.100 0.082 0.000 0.980 394 R CB -0.399 29.890 30.300 -0.018 0.000 0.875 394 R HN 0.507 nan 8.270 nan 0.000 0.445 395 A N 1.459 124.441 122.820 0.269 0.000 1.933 395 A HA -0.089 4.231 4.320 0.000 0.000 0.218 395 A C 2.378 180.177 177.584 0.359 0.000 1.175 395 A CA 1.594 53.898 52.037 0.445 0.000 0.628 395 A CB -0.508 18.778 19.000 0.477 0.000 0.814 395 A HN 0.368 nan 8.150 nan 0.000 0.444 396 A N -1.349 121.598 122.820 0.212 0.000 1.902 396 A HA -0.190 4.130 4.320 0.000 0.000 0.217 396 A C 2.102 179.794 177.584 0.181 0.000 1.181 396 A CA 1.406 53.527 52.037 0.140 0.000 0.623 396 A CB -0.836 18.237 19.000 0.122 0.000 0.818 396 A HN 0.830 nan 8.150 nan 0.000 0.443 397 W N 0.964 122.303 121.300 0.064 0.000 2.381 397 W HA -0.116 4.544 4.660 0.000 0.000 0.301 397 W C 1.624 178.186 176.519 0.072 0.000 1.205 397 W CA 1.835 59.206 57.345 0.044 0.000 1.285 397 W CB -0.249 29.221 29.460 0.016 0.000 1.133 397 W HN 0.552 nan 8.180 nan 0.000 0.521 398 E N -0.876 119.576 120.200 0.421 0.000 2.347 398 E HA -0.115 4.235 4.350 0.000 0.000 0.196 398 E C 1.949 178.704 176.600 0.259 0.000 1.008 398 E CA 1.277 57.899 56.400 0.370 0.000 0.852 398 E CB -0.133 29.850 29.700 0.470 0.000 0.783 398 E HN 0.035 nan 8.360 nan 0.000 0.505 399 T N 0.204 114.883 114.554 0.208 0.000 2.867 399 T HA -0.079 4.271 4.350 0.000 0.000 0.268 399 T C 1.682 176.359 174.700 -0.038 0.000 1.057 399 T CA 1.266 63.405 62.100 0.065 0.000 1.136 399 T CB 0.074 68.988 68.868 0.078 0.000 0.874 399 T HN 0.223 nan 8.240 nan 0.000 0.466 400 A N -0.017 122.761 122.820 -0.069 0.000 2.259 400 A HA 0.344 4.664 4.320 0.000 0.000 0.213 400 A C 0.873 178.372 177.584 -0.141 0.000 1.209 400 A CA -0.133 51.821 52.037 -0.139 0.000 0.910 400 A CB 0.558 19.435 19.000 -0.205 0.000 0.946 400 A HN 0.088 nan 8.150 nan 0.000 0.497 401 R N 0.626 121.071 120.500 -0.091 0.000 2.513 401 R HA 0.363 4.703 4.340 0.000 0.000 0.301 401 R C -1.521 174.815 176.300 0.061 0.000 0.968 401 R CA -0.564 55.538 56.100 0.002 0.000 0.872 401 R CB 0.779 31.119 30.300 0.067 0.000 1.177 401 R HN 0.466 nan 8.270 nan 0.000 0.444 402 H N 0.824 119.959 119.070 0.108 0.000 2.964 402 H HA 0.075 4.631 4.556 0.000 0.000 0.328 402 H C 0.576 175.973 175.328 0.114 0.000 1.030 402 H CA 1.165 57.280 56.048 0.112 0.000 1.445 402 H CB 0.639 30.444 29.762 0.071 0.000 1.449 402 H HN 0.528 nan 8.280 nan 0.000 0.581 403 T N 0.507 115.190 114.554 0.214 0.000 2.930 403 T HA 0.283 4.633 4.350 0.000 0.000 0.290 403 T C -1.741 172.979 174.700 0.034 0.000 1.052 403 T CA -1.925 60.250 62.100 0.126 0.000 1.017 403 T CB 1.676 70.616 68.868 0.121 0.000 1.137 403 T HN 0.284 nan 8.240 nan 0.000 0.511 404 P HA 0.179 nan 4.420 nan 0.000 0.220 404 P C -0.152 177.087 177.300 -0.101 0.000 1.152 404 P CA 0.215 63.235 63.100 -0.134 0.000 0.812 404 P CB 0.149 31.777 31.700 -0.120 0.000 0.792 405 V N 1.612 121.489 119.914 -0.061 0.000 2.448 405 V HA 0.226 4.346 4.120 0.000 0.000 0.295 405 V C -0.136 175.917 176.094 -0.068 0.000 1.025 405 V CA -0.804 61.454 62.300 -0.070 0.000 0.859 405 V CB 1.588 33.370 31.823 -0.068 0.000 0.988 405 V HN 0.019 nan 8.190 nan 0.000 0.431 406 N N 3.183 121.797 118.700 -0.144 0.000 2.645 406 N HA 0.070 4.811 4.740 0.000 0.000 0.233 406 N C 1.283 176.568 175.510 -0.375 0.000 1.058 406 N CA 0.107 53.006 53.050 -0.251 0.000 0.942 406 N CB 1.602 39.817 38.487 -0.454 0.000 1.210 406 N HN 0.812 nan 8.380 nan 0.000 0.512 407 S N 2.152 117.758 115.700 -0.157 0.000 2.419 407 S HA -0.115 4.355 4.470 0.000 0.000 0.233 407 S C 1.845 176.392 174.600 -0.087 0.000 1.016 407 S CA 0.182 58.325 58.200 -0.095 0.000 0.974 407 S CB -0.392 62.804 63.200 -0.006 0.000 0.786 407 S HN 0.791 nan 8.310 nan 0.000 0.492 408 W N 1.280 122.491 121.300 -0.149 0.000 2.363 408 W HA -0.040 4.620 4.660 0.000 0.000 0.296 408 W C 1.685 178.089 176.519 -0.192 0.000 1.212 408 W CA 0.554 57.743 57.345 -0.260 0.000 1.260 408 W CB -1.037 27.885 29.460 -0.897 0.000 1.131 408 W HN 0.382 nan 8.180 nan 0.000 0.530 409 L N 2.802 123.379 121.223 -1.077 0.000 2.072 409 L HA 0.205 4.545 4.340 0.000 0.000 0.205 409 L C 2.644 179.299 176.870 -0.358 0.000 1.079 409 L CA 2.703 56.985 54.840 -0.929 0.000 0.752 409 L CB -1.357 39.909 42.059 -1.321 0.000 0.906 409 L HN 0.034 nan 8.230 nan 0.000 0.436 410 G N -0.533 108.088 108.800 -0.299 0.000 2.418 410 G HA2 -0.299 3.661 3.960 0.000 0.000 0.217 410 G HA3 -0.299 3.661 3.960 0.000 0.000 0.217 410 G C 1.469 176.364 174.900 -0.008 0.000 1.158 410 G CA 0.762 45.772 45.100 -0.150 0.000 0.771 410 G HN 0.438 nan 8.290 nan 0.000 0.545 411 N N 0.504 119.262 118.700 0.097 0.000 2.188 411 N HA -0.018 4.723 4.740 0.000 0.000 0.184 411 N C 2.239 177.914 175.510 0.275 0.000 1.018 411 N CA 0.647 53.896 53.050 0.331 0.000 0.858 411 N CB -0.131 38.610 38.487 0.423 0.000 0.989 411 N HN 0.346 nan 8.380 nan 0.000 0.426 412 I N 0.854 121.522 120.570 0.164 0.000 2.202 412 I HA -0.214 3.956 4.170 0.000 0.000 0.242 412 I C 2.031 178.198 176.117 0.084 0.000 1.091 412 I CA 0.806 62.185 61.300 0.131 0.000 1.368 412 I CB -0.122 38.006 38.000 0.214 0.000 1.058 412 I HN 0.021 nan 8.210 nan 0.000 0.410 413 I N -0.020 120.593 120.570 0.073 0.000 2.127 413 I HA -0.317 3.853 4.170 0.000 0.000 0.241 413 I C 2.347 178.559 176.117 0.157 0.000 1.075 413 I CA 1.375 62.743 61.300 0.114 0.000 1.334 413 I CB -0.209 37.828 38.000 0.063 0.000 1.040 413 I HN 0.232 nan 8.210 nan 0.000 0.405 414 M N -1.132 118.486 119.600 0.029 0.000 2.447 414 M HA -0.041 4.439 4.480 0.000 0.000 0.264 414 M C 0.782 176.917 176.300 -0.275 0.000 1.095 414 M CA 1.383 56.615 55.300 -0.114 0.000 1.125 414 M CB -0.525 31.901 32.600 -0.289 0.000 1.389 414 M HN 0.202 nan 8.290 nan 0.000 0.459 415 Y N -0.738 119.578 120.300 0.025 0.000 2.716 415 Y HA 0.490 5.040 4.550 0.000 0.000 0.260 415 Y C 1.795 177.467 175.900 -0.380 0.000 1.141 415 Y CA -0.361 57.653 58.100 -0.143 0.000 1.168 415 Y CB -0.784 37.557 38.460 -0.199 0.000 1.189 415 Y HN 0.148 nan 8.280 nan 0.000 0.549 416 A N 1.249 123.872 122.820 -0.329 0.000 1.903 416 A HA -0.201 4.119 4.320 0.000 0.000 0.219 416 A C -0.380 176.904 177.584 -0.499 0.000 1.191 416 A CA 1.983 53.761 52.037 -0.432 0.000 0.638 416 A CB -1.461 17.244 19.000 -0.491 0.000 0.823 416 A HN 0.283 nan 8.150 nan 0.000 0.451 417 P HA 0.049 nan 4.420 nan 0.000 0.241 417 P C 0.603 177.650 177.300 -0.422 0.000 1.191 417 P CA 1.110 63.932 63.100 -0.463 0.000 0.771 417 P CB -0.558 30.898 31.700 -0.407 0.000 0.929 418 T N -2.350 111.984 114.554 -0.366 0.000 2.898 418 T HA 0.103 4.453 4.350 0.000 0.000 0.301 418 T C 1.154 175.442 174.700 -0.686 0.000 1.049 418 T CA -0.594 61.255 62.100 -0.417 0.000 1.095 418 T CB 0.603 69.049 68.868 -0.704 0.000 0.976 418 T HN -0.161 nan 8.240 nan 0.000 0.539 419 L N 2.410 123.139 121.223 -0.823 0.000 2.017 419 L HA 0.019 4.359 4.340 0.000 0.000 0.208 419 L C 2.446 178.971 176.870 -0.574 0.000 1.073 419 L CA 1.735 56.017 54.840 -0.931 0.000 0.745 419 L CB -0.817 40.590 42.059 -1.087 0.000 0.894 419 L HN 0.931 nan 8.230 nan 0.000 0.432 420 W N -0.952 120.146 121.300 -0.336 0.000 2.467 420 W HA 0.077 4.737 4.660 -0.000 0.000 0.275 420 W C 1.914 178.300 176.519 -0.222 0.000 1.239 420 W CA 0.689 57.872 57.345 -0.271 0.000 1.266 420 W CB -1.201 28.134 29.460 -0.208 0.000 1.112 420 W HN 0.332 nan 8.180 nan 0.000 0.576 421 A N 1.822 124.237 122.820 -0.675 0.000 1.930 421 A HA -0.059 4.261 4.320 0.000 0.000 0.215 421 A C 2.247 179.701 177.584 -0.216 0.000 1.176 421 A CA 1.230 53.019 52.037 -0.414 0.000 0.632 421 A CB -0.649 17.938 19.000 -0.689 0.000 0.819 421 A HN 0.262 nan 8.150 nan 0.000 0.445 422 R N -0.963 119.321 120.500 -0.360 0.000 2.073 422 R HA 0.086 4.426 4.340 0.000 0.000 0.229 422 R C 2.112 178.273 176.300 -0.231 0.000 1.120 422 R CA 1.631 57.542 56.100 -0.316 0.000 0.967 422 R CB -0.290 29.668 30.300 -0.570 0.000 0.862 422 R HN 0.485 nan 8.270 nan 0.000 0.436 423 M N -0.459 118.882 119.600 -0.431 0.000 2.435 423 M HA 0.054 4.534 4.480 0.000 0.000 0.265 423 M C 1.744 177.959 176.300 -0.143 0.000 1.104 423 M CA 1.236 56.349 55.300 -0.312 0.000 1.140 423 M CB 0.288 32.617 32.600 -0.453 0.000 1.372 423 M HN 0.114 nan 8.290 nan 0.000 0.456 424 I N -0.719 119.638 120.570 -0.356 0.000 3.341 424 I HA -0.079 4.091 4.170 0.000 0.000 0.243 424 I C 2.045 178.025 176.117 -0.229 0.000 1.094 424 I CA 0.256 61.085 61.300 -0.786 0.000 1.507 424 I CB -0.228 37.263 38.000 -0.847 0.000 1.441 424 I HN 0.093 nan 8.210 nan 0.000 0.465 425 L N 0.446 121.712 121.223 0.072 0.000 2.042 425 L HA -0.234 4.106 4.340 0.000 0.000 0.210 425 L C 2.667 179.865 176.870 0.547 0.000 1.076 425 L CA 1.719 56.798 54.840 0.398 0.000 0.749 425 L CB -0.419 41.888 42.059 0.414 0.000 0.893 425 L HN 0.328 nan 8.230 nan 0.000 0.432 426 M N -1.169 118.710 119.600 0.465 0.000 2.099 426 M HA -0.157 4.323 4.480 0.000 0.000 0.262 426 M C 2.303 179.155 176.300 0.919 0.000 1.067 426 M CA 1.920 57.629 55.300 0.683 0.000 1.124 426 M CB -0.578 32.235 32.600 0.355 0.000 1.353 426 M HN 0.229 nan 8.290 nan 0.000 0.410 427 T N -1.238 113.781 114.554 0.775 0.000 2.674 427 T HA -0.210 4.140 4.350 0.000 0.000 0.265 427 T C 1.663 176.662 174.700 0.499 0.000 1.039 427 T CA 1.839 64.326 62.100 0.646 0.000 1.150 427 T CB -0.579 68.713 68.868 0.708 0.000 0.864 427 T HN 0.434 nan 8.240 nan 0.000 0.427 428 H N 0.505 119.788 119.070 0.355 0.000 2.265 428 H HA -0.078 4.478 4.556 0.000 0.000 0.295 428 H C 1.759 177.024 175.328 -0.105 0.000 1.084 428 H CA 1.795 57.934 56.048 0.153 0.000 1.261 428 H CB -0.553 29.171 29.762 -0.064 0.000 1.360 428 H HN 0.357 nan 8.280 nan 0.000 0.487 429 F N -1.340 118.592 119.950 -0.030 0.000 2.367 429 F HA 0.014 4.541 4.527 0.000 0.000 0.298 429 F C 1.924 177.550 175.800 -0.291 0.000 1.094 429 F CA 0.451 58.199 58.000 -0.419 0.000 1.409 429 F CB -0.331 38.108 39.000 -0.934 0.000 1.064 429 F HN 0.143 nan 8.300 nan 0.000 0.528 430 F N -0.792 119.258 119.950 0.166 0.000 2.259 430 F HA -0.156 4.371 4.527 0.000 0.000 0.298 430 F C 2.708 178.527 175.800 0.032 0.000 1.088 430 F CA 1.339 59.439 58.000 0.166 0.000 1.358 430 F CB -0.795 38.395 39.000 0.318 0.000 1.040 430 F HN -0.113 nan 8.300 nan 0.000 0.505 431 S N 0.580 116.353 115.700 0.121 0.000 2.359 431 S HA -0.206 4.264 4.470 0.000 0.000 0.224 431 S C 2.127 176.678 174.600 -0.083 0.000 1.035 431 S CA 1.579 59.775 58.200 -0.007 0.000 1.018 431 S CB -0.502 62.672 63.200 -0.044 0.000 0.876 431 S HN 0.332 nan 8.310 nan 0.000 0.448 432 I N 1.207 121.660 120.570 -0.195 0.000 2.163 432 I HA -0.185 3.985 4.170 0.000 0.000 0.243 432 I C 2.216 178.279 176.117 -0.091 0.000 1.085 432 I CA 1.216 62.394 61.300 -0.204 0.000 1.347 432 I CB -0.323 37.474 38.000 -0.338 0.000 1.044 432 I HN 0.318 nan 8.210 nan 0.000 0.408 433 L N -0.184 120.999 121.223 -0.067 0.000 2.156 433 L HA -0.174 4.167 4.340 0.000 0.000 0.208 433 L C 2.478 179.367 176.870 0.033 0.000 1.095 433 L CA 1.014 55.846 54.840 -0.013 0.000 0.770 433 L CB -0.424 41.604 42.059 -0.052 0.000 0.914 433 L HN 0.268 nan 8.230 nan 0.000 0.439 434 L N -0.192 121.062 121.223 0.051 0.000 2.027 434 L HA -0.163 4.177 4.340 0.000 0.000 0.206 434 L C 2.849 179.734 176.870 0.025 0.000 1.074 434 L CA 1.309 56.183 54.840 0.058 0.000 0.745 434 L CB -0.614 41.484 42.059 0.065 0.000 0.898 434 L HN 0.206 nan 8.230 nan 0.000 0.433 435 A N -1.122 121.698 122.820 0.001 0.000 1.969 435 A HA -0.172 4.148 4.320 0.000 0.000 0.218 435 A C 2.103 179.687 177.584 -0.000 0.000 1.169 435 A CA 1.204 53.236 52.037 -0.009 0.000 0.635 435 A CB -0.212 18.769 19.000 -0.032 0.000 0.810 435 A HN 0.401 nan 8.150 nan 0.000 0.445 436 Q N -0.559 119.245 119.800 0.006 0.000 2.392 436 Q HA 0.059 4.399 4.340 0.000 0.000 0.203 436 Q C -0.466 175.555 176.000 0.034 0.000 0.917 436 Q CA 0.373 56.188 55.803 0.020 0.000 0.939 436 Q CB 0.036 28.791 28.738 0.028 0.000 1.063 436 Q HN 0.759 nan 8.270 nan 0.000 0.516 437 E N 0.636 120.857 120.200 0.035 0.000 2.252 437 E HA -0.247 4.103 4.350 0.000 0.000 0.218 437 E C -0.389 176.244 176.600 0.055 0.000 1.253 437 E CA 0.303 56.730 56.400 0.045 0.000 0.705 437 E CB -1.343 28.379 29.700 0.038 0.000 1.172 437 E HN 0.430 nan 8.360 nan 0.000 0.369 438 Q N -0.258 119.578 119.800 0.061 0.000 2.129 438 Q HA 0.262 4.603 4.340 0.000 0.000 0.274 438 Q C 1.543 177.592 176.000 0.081 0.000 0.854 438 Q CA -0.237 55.610 55.803 0.073 0.000 1.123 438 Q CB 0.532 29.320 28.738 0.084 0.000 1.226 438 Q HN 0.342 nan 8.270 nan 0.000 0.454 439 L N 0.161 121.436 121.223 0.086 0.000 2.046 439 L HA -0.170 4.170 4.340 0.000 0.000 0.208 439 L C 1.672 178.608 176.870 0.110 0.000 1.077 439 L CA 1.443 56.347 54.840 0.108 0.000 0.747 439 L CB 0.024 42.171 42.059 0.147 0.000 0.896 439 L HN 0.358 nan 8.230 nan 0.000 0.432 440 E N -0.261 119.996 120.200 0.096 0.000 2.478 440 E HA -0.068 4.283 4.350 0.000 0.000 0.194 440 E C 0.649 177.299 176.600 0.083 0.000 1.045 440 E CA -0.030 56.422 56.400 0.088 0.000 0.868 440 E CB 0.145 29.890 29.700 0.075 0.000 0.885 440 E HN 0.270 nan 8.360 nan 0.000 0.505 441 K N 2.104 122.555 120.400 0.086 0.000 2.349 441 K HA 0.263 4.583 4.320 0.000 0.000 0.288 441 K C -0.417 176.238 176.600 0.092 0.000 1.058 441 K CA -0.260 56.079 56.287 0.086 0.000 0.953 441 K CB 0.691 33.245 32.500 0.090 0.000 0.997 441 K HN -0.094 nan 8.250 nan 0.000 0.477 442 A N 5.281 128.153 122.820 0.087 0.000 2.477 442 A HA 0.276 4.596 4.320 0.000 0.000 0.246 442 A C -0.394 177.241 177.584 0.085 0.000 1.078 442 A CA -0.122 51.967 52.037 0.086 0.000 0.770 442 A CB 0.132 19.186 19.000 0.091 0.000 1.011 442 A HN 0.775 nan 8.150 nan 0.000 0.494 443 L N 1.661 122.920 121.223 0.061 0.000 2.341 443 L HA 0.412 4.752 4.340 0.000 0.000 0.267 443 L C -0.814 176.061 176.870 0.008 0.000 1.009 443 L CA -1.075 53.784 54.840 0.032 0.000 0.819 443 L CB 2.011 44.066 42.059 -0.008 0.000 1.323 443 L HN 0.575 nan 8.230 nan 0.000 0.425 444 D N 1.086 121.488 120.400 0.004 0.000 2.210 444 D HA 0.510 5.150 4.640 0.000 0.000 0.249 444 D C -0.551 175.700 176.300 -0.081 0.000 1.078 444 D CA 0.020 54.025 54.000 0.008 0.000 0.875 444 D CB 1.608 42.436 40.800 0.046 0.000 1.175 444 D HN 0.624 nan 8.370 nan 0.000 0.440 445 C N 0.457 119.708 119.300 -0.082 0.000 3.288 445 C HA 0.588 5.048 4.460 0.000 0.000 0.318 445 C C -1.200 173.737 174.990 -0.089 0.000 1.356 445 C CA -0.887 58.048 59.018 -0.138 0.000 1.359 445 C CB 1.264 28.861 27.740 -0.239 0.000 1.688 445 C HN 0.504 nan 8.230 nan 0.000 0.467 446 Q N 1.043 120.785 119.800 -0.097 0.000 2.325 446 Q HA 0.665 5.005 4.340 0.000 0.000 0.262 446 Q C -1.088 174.859 176.000 -0.088 0.000 0.968 446 Q CA -0.154 55.617 55.803 -0.055 0.000 0.877 446 Q CB 1.833 30.552 28.738 -0.031 0.000 1.253 446 Q HN 0.705 nan 8.270 nan 0.000 0.448 447 I N 3.222 123.742 120.570 -0.083 0.000 2.382 447 I HA 0.153 4.323 4.170 0.000 0.000 0.286 447 I C -0.779 175.337 176.117 -0.001 0.000 1.002 447 I CA -0.771 60.379 61.300 -0.250 0.000 1.135 447 I CB 0.833 38.346 38.000 -0.811 0.000 1.288 447 I HN 0.662 nan 8.210 nan 0.000 0.448 448 Y N 5.291 125.617 120.300 0.043 0.000 3.721 448 Y HA -0.274 4.276 4.550 0.000 0.000 0.218 448 Y C 1.457 177.344 175.900 -0.021 0.000 1.188 448 Y CA 1.065 59.207 58.100 0.070 0.000 1.607 448 Y CB -1.970 36.551 38.460 0.103 0.000 1.496 448 Y HN 0.963 nan 8.280 nan 0.000 0.626 449 G N -2.325 106.570 108.800 0.157 0.000 2.284 449 G HA2 -0.014 3.946 3.960 0.000 0.000 0.230 449 G HA3 -0.014 3.946 3.960 0.000 0.000 0.230 449 G C 0.550 175.478 174.900 0.048 0.000 1.021 449 G CA 0.157 45.309 45.100 0.086 0.000 0.619 449 G HN 1.497 nan 8.290 nan 0.000 0.510 450 A N -0.458 122.395 122.820 0.055 0.000 2.332 450 A HA 0.636 4.957 4.320 0.000 0.000 0.258 450 A C 0.648 178.068 177.584 -0.273 0.000 1.087 450 A CA 0.599 52.517 52.037 -0.199 0.000 0.802 450 A CB 0.849 19.669 19.000 -0.299 0.000 1.042 450 A HN 1.468 nan 8.150 nan 0.000 0.489 451 C N 0.956 119.984 119.300 -0.454 0.000 2.341 451 C HA 0.796 5.256 4.460 0.000 0.000 0.338 451 C C -1.158 173.415 174.990 -0.695 0.000 1.257 451 C CA -0.472 58.354 59.018 -0.320 0.000 1.883 451 C CB -0.757 26.968 27.740 -0.024 0.000 2.334 451 C HN 0.657 nan 8.230 nan 0.000 0.524 452 Y N 2.287 122.410 120.300 -0.296 0.000 2.477 452 Y HA 0.439 4.989 4.550 0.000 0.000 0.347 452 Y C 0.308 176.103 175.900 -0.175 0.000 0.981 452 Y CA -0.413 57.485 58.100 -0.336 0.000 1.033 452 Y CB 1.831 40.066 38.460 -0.376 0.000 1.245 452 Y HN 0.555 nan 8.280 nan 0.000 0.455 453 S N 3.563 119.273 115.700 0.016 0.000 2.438 453 S HA 0.702 5.172 4.470 0.000 0.000 0.293 453 S C -0.919 173.752 174.600 0.117 0.000 1.141 453 S CA -0.282 57.979 58.200 0.101 0.000 1.080 453 S CB -0.340 62.950 63.200 0.150 0.000 0.978 453 S HN 0.512 nan 8.310 nan 0.000 0.479 454 I N 4.051 124.675 120.570 0.090 0.000 2.499 454 I HA 0.309 4.479 4.170 0.000 0.000 0.288 454 I C -0.293 175.869 176.117 0.076 0.000 1.048 454 I CA -0.507 60.852 61.300 0.099 0.000 1.062 454 I CB 2.185 40.241 38.000 0.093 0.000 1.238 454 I HN 0.543 nan 8.210 nan 0.000 0.426 455 E N 7.415 127.669 120.200 0.091 0.000 2.180 455 E HA 0.149 4.499 4.350 0.000 0.000 0.283 455 E C -1.724 174.943 176.600 0.111 0.000 1.061 455 E CA -1.555 54.900 56.400 0.093 0.000 0.861 455 E CB 0.952 30.705 29.700 0.089 0.000 1.056 455 E HN 0.323 nan 8.360 nan 0.000 0.407 456 P HA -0.208 nan 4.420 nan 0.000 0.218 456 P C 0.809 178.265 177.300 0.260 0.000 1.146 456 P CA 1.179 64.374 63.100 0.159 0.000 0.820 456 P CB 0.193 31.948 31.700 0.092 0.000 0.778 457 L N -1.193 120.158 121.223 0.214 0.000 2.465 457 L HA -0.073 4.267 4.340 0.000 0.000 0.224 457 L C 1.348 178.311 176.870 0.156 0.000 1.145 457 L CA 0.959 55.930 54.840 0.217 0.000 0.834 457 L CB -0.584 41.574 42.059 0.166 0.000 0.944 457 L HN -0.060 nan 8.230 nan 0.000 0.451 458 D N -0.315 120.164 120.400 0.133 0.000 2.340 458 D HA 0.017 4.657 4.640 0.000 0.000 0.220 458 D C 2.246 178.610 176.300 0.106 0.000 1.039 458 D CA 0.311 54.363 54.000 0.086 0.000 0.866 458 D CB 0.355 41.191 40.800 0.059 0.000 0.913 458 D HN 0.286 nan 8.370 nan 0.000 0.523 459 L N 1.003 122.335 121.223 0.180 0.000 2.043 459 L HA -0.158 4.182 4.340 0.000 0.000 0.212 459 L C -0.483 176.510 176.870 0.206 0.000 1.075 459 L CA 1.525 56.496 54.840 0.219 0.000 0.752 459 L CB -1.394 40.866 42.059 0.334 0.000 0.891 459 L HN 0.054 nan 8.230 nan 0.000 0.432 460 P HA -0.179 nan 4.420 nan 0.000 0.216 460 P C 1.375 178.727 177.300 0.086 0.000 1.153 460 P CA 1.225 64.373 63.100 0.080 0.000 0.848 460 P CB 0.066 31.650 31.700 -0.194 0.000 0.787 461 Q N -0.708 119.086 119.800 -0.009 0.000 2.050 461 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 461 Q C 2.199 178.192 176.000 -0.012 0.000 0.980 461 Q CA 1.303 57.081 55.803 -0.040 0.000 0.840 461 Q CB -0.971 27.725 28.738 -0.070 0.000 0.898 461 Q HN 0.230 nan 8.270 nan 0.000 0.424 462 I N 0.159 120.730 120.570 0.002 0.000 2.163 462 I HA -0.301 3.869 4.170 0.000 0.000 0.243 462 I C 1.998 178.155 176.117 0.065 0.000 1.085 462 I CA 1.300 62.587 61.300 -0.021 0.000 1.347 462 I CB -0.266 37.764 38.000 0.049 0.000 1.044 462 I HN 0.199 nan 8.210 nan 0.000 0.408 463 I N 0.178 120.844 120.570 0.159 0.000 2.394 463 I HA -0.262 3.908 4.170 0.000 0.000 0.251 463 I C 2.583 178.749 176.117 0.082 0.000 1.136 463 I CA 1.194 62.596 61.300 0.169 0.000 1.425 463 I CB -0.386 37.662 38.000 0.081 0.000 1.079 463 I HN 0.305 nan 8.210 nan 0.000 0.425 464 E N 1.136 121.420 120.200 0.141 0.000 2.077 464 E HA -0.220 4.130 4.350 0.000 0.000 0.193 464 E C 2.308 178.917 176.600 0.015 0.000 0.989 464 E CA 0.985 57.450 56.400 0.108 0.000 0.800 464 E CB 0.159 29.932 29.700 0.121 0.000 0.746 464 E HN 0.315 nan 8.360 nan 0.000 0.452 465 R N -0.006 120.481 120.500 -0.022 0.000 2.115 465 R HA -0.019 4.321 4.340 0.000 0.000 0.226 465 R C 2.297 178.534 176.300 -0.105 0.000 1.100 465 R CA 0.689 56.748 56.100 -0.068 0.000 0.980 465 R CB -0.181 30.053 30.300 -0.109 0.000 0.875 465 R HN 0.338 nan 8.270 nan 0.000 0.445 466 L N -0.928 120.211 121.223 -0.142 0.000 2.554 466 L HA 0.106 4.446 4.340 0.000 0.000 0.225 466 L C 1.398 177.891 176.870 -0.627 0.000 1.104 466 L CA 0.507 55.131 54.840 -0.360 0.000 0.866 466 L CB -0.045 41.806 42.059 -0.347 0.000 1.047 466 L HN 0.204 nan 8.230 nan 0.000 0.468 467 H N -0.756 118.255 119.070 -0.097 0.000 3.734 467 H HA 0.313 4.869 4.556 0.000 0.000 0.253 467 H C 0.888 176.153 175.328 -0.105 0.000 1.072 467 H CA 0.741 56.721 56.048 -0.113 0.000 1.147 467 H CB 1.442 31.107 29.762 -0.162 0.000 1.495 467 H HN 0.199 nan 8.280 nan 0.000 0.588 468 G N 1.179 109.982 108.800 0.005 0.000 2.707 468 G HA2 -0.211 3.749 3.960 0.000 0.000 0.686 468 G HA3 -0.211 3.749 3.960 0.000 0.000 0.686 468 G C 0.600 175.496 174.900 -0.006 0.000 1.315 468 G CA -0.139 44.964 45.100 0.004 0.000 0.832 468 G HN 0.168 nan 8.290 nan 0.000 0.573 469 L N 0.985 122.251 121.223 0.072 0.000 2.191 469 L HA -0.114 4.226 4.340 0.000 0.000 0.212 469 L C 3.224 180.165 176.870 0.119 0.000 1.103 469 L CA 2.280 57.233 54.840 0.188 0.000 0.769 469 L CB -0.468 41.719 42.059 0.214 0.000 0.908 469 L HN 0.958 nan 8.230 nan 0.000 0.438 470 S N -0.033 115.680 115.700 0.022 0.000 2.440 470 S HA -0.182 4.288 4.470 0.000 0.000 0.238 470 S C 2.065 176.602 174.600 -0.105 0.000 1.010 470 S CA 0.837 59.025 58.200 -0.019 0.000 0.972 470 S CB -0.371 62.800 63.200 -0.048 0.000 0.774 470 S HN 0.377 nan 8.310 nan 0.000 0.501 471 A N 0.525 123.204 122.820 -0.234 0.000 2.070 471 A HA 0.185 4.505 4.320 0.000 0.000 0.220 471 A C 1.406 178.745 177.584 -0.408 0.000 1.159 471 A CA 0.862 52.647 52.037 -0.420 0.000 0.656 471 A CB -0.794 17.846 19.000 -0.599 0.000 0.800 471 A HN 0.606 nan 8.150 nan 0.000 0.453 472 F N -0.160 119.809 119.950 0.031 0.000 2.693 472 F HA 0.152 4.679 4.527 0.000 0.000 0.303 472 F C 1.527 177.386 175.800 0.097 0.000 1.097 472 F CA 0.560 58.610 58.000 0.083 0.000 1.330 472 F CB 0.263 39.359 39.000 0.159 0.000 1.067 472 F HN 0.232 nan 8.300 nan 0.000 0.565 473 S N -1.527 114.280 115.700 0.180 0.000 3.053 473 S HA 0.290 4.760 4.470 0.000 0.000 0.255 473 S C -0.133 174.543 174.600 0.126 0.000 0.976 473 S CA -0.399 57.904 58.200 0.171 0.000 1.159 473 S CB -0.674 62.621 63.200 0.159 0.000 1.110 473 S HN 0.042 nan 8.310 nan 0.000 0.633 474 L N 3.624 124.835 121.223 -0.020 0.000 2.455 474 L HA 0.422 4.762 4.340 0.000 0.000 0.272 474 L C 0.576 177.337 176.870 -0.182 0.000 1.174 474 L CA 0.141 54.842 54.840 -0.232 0.000 0.869 474 L CB 0.092 41.869 42.059 -0.469 0.000 1.130 474 L HN 0.636 nan 8.230 nan 0.000 0.474 475 H N -1.028 117.868 119.070 -0.290 0.000 2.943 475 H HA 0.446 5.002 4.556 0.000 0.000 0.323 475 H C -0.089 175.099 175.328 -0.232 0.000 1.296 475 H CA -0.991 54.952 56.048 -0.175 0.000 1.155 475 H CB 1.034 30.783 29.762 -0.022 0.000 1.882 475 H HN 0.394 nan 8.280 nan 0.000 0.553 476 S N -0.675 115.058 115.700 0.055 0.000 3.484 476 S HA -0.244 4.226 4.470 0.000 0.000 0.384 476 S C -0.671 173.917 174.600 -0.020 0.000 0.932 476 S CA 0.440 58.661 58.200 0.035 0.000 1.293 476 S CB -2.571 60.597 63.200 -0.052 0.000 0.919 476 S HN 0.508 nan 8.310 nan 0.000 0.540 477 Y N 1.845 122.167 120.300 0.037 0.000 2.426 477 Y HA 0.247 4.797 4.550 0.000 0.000 0.344 477 Y C 1.479 177.427 175.900 0.080 0.000 1.256 477 Y CA 0.402 58.535 58.100 0.055 0.000 1.451 477 Y CB 0.419 38.903 38.460 0.039 0.000 1.342 477 Y HN 0.550 nan 8.280 nan 0.000 0.600 478 S N 1.828 117.677 115.700 0.248 0.000 2.572 478 S HA 0.111 4.581 4.470 0.000 0.000 0.279 478 S C -1.994 172.691 174.600 0.142 0.000 1.341 478 S CA -1.146 57.150 58.200 0.159 0.000 1.043 478 S CB 1.154 64.428 63.200 0.124 0.000 0.887 478 S HN 0.450 nan 8.310 nan 0.000 0.516 479 P HA -0.023 nan 4.420 nan 0.000 0.216 479 P C 1.675 179.018 177.300 0.071 0.000 1.150 479 P CA 1.622 64.771 63.100 0.081 0.000 0.843 479 P CB -0.409 31.329 31.700 0.063 0.000 0.787 480 G N -0.165 108.676 108.800 0.068 0.000 2.402 480 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 480 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 480 G C 1.659 176.595 174.900 0.060 0.000 1.162 480 G CA 0.759 45.891 45.100 0.054 0.000 0.777 480 G HN 0.256 nan 8.290 nan 0.000 0.539 481 E N 0.694 120.948 120.200 0.090 0.000 2.047 481 E HA -0.044 4.306 4.350 0.000 0.000 0.191 481 E C 2.413 179.066 176.600 0.090 0.000 0.987 481 E CA 0.745 57.211 56.400 0.110 0.000 0.799 481 E CB -0.405 29.411 29.700 0.193 0.000 0.752 481 E HN 0.482 nan 8.360 nan 0.000 0.449 482 I N 0.920 121.546 120.570 0.092 0.000 2.208 482 I HA -0.316 3.854 4.170 0.000 0.000 0.245 482 I C 2.002 178.147 176.117 0.046 0.000 1.097 482 I CA 1.116 62.453 61.300 0.063 0.000 1.363 482 I CB -0.433 37.615 38.000 0.079 0.000 1.051 482 I HN 0.184 nan 8.210 nan 0.000 0.413 483 N N 0.678 119.405 118.700 0.046 0.000 2.120 483 N HA -0.207 4.533 4.740 0.000 0.000 0.188 483 N C 1.944 177.466 175.510 0.020 0.000 1.024 483 N CA 1.250 54.320 53.050 0.033 0.000 0.852 483 N CB -0.406 38.100 38.487 0.032 0.000 1.003 483 N HN 0.344 nan 8.380 nan 0.000 0.424 484 R N 0.856 121.366 120.500 0.016 0.000 2.092 484 R HA -0.025 4.315 4.340 0.000 0.000 0.231 484 R C 1.965 178.246 176.300 -0.032 0.000 1.119 484 R CA 0.723 56.817 56.100 -0.010 0.000 0.970 484 R CB -0.020 30.271 30.300 -0.015 0.000 0.864 484 R HN -0.021 nan 8.270 nan 0.000 0.440 485 V N 0.810 120.719 119.914 -0.008 0.000 2.261 485 V HA -0.232 3.888 4.120 0.000 0.000 0.246 485 V C 2.456 178.546 176.094 -0.007 0.000 1.047 485 V CA 1.989 64.279 62.300 -0.016 0.000 1.015 485 V CB -0.754 31.090 31.823 0.035 0.000 0.642 485 V HN 0.519 nan 8.190 nan 0.000 0.446 486 A N -0.517 122.312 122.820 0.015 0.000 1.877 486 A HA -0.249 4.071 4.320 0.000 0.000 0.216 486 A C 2.563 180.161 177.584 0.023 0.000 1.186 486 A CA 2.279 54.334 52.037 0.029 0.000 0.620 486 A CB -0.906 18.116 19.000 0.036 0.000 0.822 486 A HN 0.501 nan 8.150 nan 0.000 0.443 487 S N -1.336 114.371 115.700 0.013 0.000 2.419 487 S HA -0.199 4.271 4.470 0.000 0.000 0.233 487 S C 1.983 176.587 174.600 0.007 0.000 1.016 487 S CA 1.563 59.770 58.200 0.011 0.000 0.974 487 S CB -0.941 62.261 63.200 0.004 0.000 0.786 487 S HN 0.741 nan 8.310 nan 0.000 0.492 488 C N 0.966 120.258 119.300 -0.014 0.000 2.466 488 C HA 0.201 4.661 4.460 0.000 0.000 0.278 488 C C 2.438 177.433 174.990 0.009 0.000 1.288 488 C CA 0.454 59.456 59.018 -0.026 0.000 1.722 488 C CB -1.591 26.094 27.740 -0.093 0.000 2.017 488 C HN 0.679 nan 8.230 nan 0.000 0.488 489 L N 0.323 121.559 121.223 0.021 0.000 2.093 489 L HA -0.068 4.273 4.340 0.000 0.000 0.208 489 L C 2.977 179.883 176.870 0.061 0.000 1.085 489 L CA 1.416 56.286 54.840 0.051 0.000 0.755 489 L CB -0.884 41.222 42.059 0.078 0.000 0.904 489 L HN 0.341 nan 8.230 nan 0.000 0.435 490 R N 0.356 120.895 120.500 0.065 0.000 2.081 490 R HA -0.163 4.177 4.340 0.000 0.000 0.235 490 R C 2.387 178.773 176.300 0.143 0.000 1.131 490 R CA 1.185 57.339 56.100 0.090 0.000 0.960 490 R CB -0.201 30.139 30.300 0.066 0.000 0.856 490 R HN 0.273 nan 8.270 nan 0.000 0.436 491 K N 0.880 121.344 120.400 0.107 0.000 2.057 491 K HA -0.115 4.205 4.320 0.000 0.000 0.207 491 K C 1.806 178.546 176.600 0.234 0.000 1.049 491 K CA 1.251 57.611 56.287 0.123 0.000 0.931 491 K CB 0.087 32.627 32.500 0.066 0.000 0.714 491 K HN 0.162 nan 8.250 nan 0.000 0.440 492 L N -1.033 120.291 121.223 0.169 0.000 2.513 492 L HA 0.170 4.510 4.340 0.000 0.000 0.222 492 L C 0.865 177.711 176.870 -0.040 0.000 1.096 492 L CA 0.415 55.340 54.840 0.141 0.000 0.857 492 L CB 0.460 42.564 42.059 0.074 0.000 1.026 492 L HN 0.499 nan 8.230 nan 0.000 0.469 493 G N 1.182 109.887 108.800 -0.158 0.000 2.204 493 G HA2 -0.209 3.751 3.960 0.000 0.000 0.244 493 G HA3 -0.209 3.751 3.960 0.000 0.000 0.244 493 G C -0.097 174.700 174.900 -0.171 0.000 1.062 493 G CA -0.080 44.748 45.100 -0.454 0.000 0.798 493 G HN 0.060 nan 8.290 nan 0.000 0.496 494 V N 0.835 120.740 119.914 -0.014 0.000 2.498 494 V HA 0.388 4.508 4.120 0.000 0.000 0.279 494 V C -1.180 174.999 176.094 0.141 0.000 1.048 494 V CA -1.576 60.796 62.300 0.120 0.000 0.967 494 V CB 1.315 33.250 31.823 0.186 0.000 0.988 494 V HN 0.202 nan 8.190 nan 0.000 0.473 495 P HA 0.042 nan 4.420 nan 0.000 0.263 495 P C -2.380 175.012 177.300 0.154 0.000 1.175 495 P CA -0.497 62.598 63.100 -0.007 0.000 0.761 495 P CB -0.282 31.212 31.700 -0.344 0.000 0.794 496 P HA -0.006 nan 4.420 nan 0.000 0.268 496 P C 0.803 178.254 177.300 0.251 0.000 1.208 496 P CA 0.195 63.384 63.100 0.149 0.000 0.777 496 P CB 0.656 32.402 31.700 0.077 0.000 0.875 497 L N 1.185 122.572 121.223 0.273 0.000 2.362 497 L HA -0.142 4.198 4.340 0.000 0.000 0.219 497 L C 2.751 179.802 176.870 0.303 0.000 1.134 497 L CA 1.171 56.217 54.840 0.342 0.000 0.807 497 L CB -0.710 41.465 42.059 0.192 0.000 0.927 497 L HN 0.454 nan 8.230 nan 0.000 0.447 498 R N -0.670 119.952 120.500 0.202 0.000 2.092 498 R HA -0.075 4.265 4.340 0.000 0.000 0.231 498 R C 1.933 178.327 176.300 0.158 0.000 1.119 498 R CA 1.159 57.363 56.100 0.173 0.000 0.970 498 R CB -0.939 29.426 30.300 0.109 0.000 0.864 498 R HN 0.104 nan 8.270 nan 0.000 0.440 499 V N 0.612 120.572 119.914 0.076 0.000 2.343 499 V HA -0.197 3.924 4.120 0.000 0.000 0.247 499 V C 1.938 178.031 176.094 -0.002 0.000 1.051 499 V CA 1.848 64.116 62.300 -0.055 0.000 1.036 499 V CB -0.690 30.991 31.823 -0.237 0.000 0.654 499 V HN 0.388 nan 8.190 nan 0.000 0.451 500 W N 0.013 121.415 121.300 0.169 0.000 2.388 500 W HA -0.091 4.569 4.660 0.000 0.000 0.294 500 W C 2.752 179.466 176.519 0.326 0.000 1.212 500 W CA 1.398 58.882 57.345 0.232 0.000 1.271 500 W CB -0.276 29.320 29.460 0.226 0.000 1.126 500 W HN 0.036 nan 8.180 nan 0.000 0.535 501 R N -0.232 120.602 120.500 0.557 0.000 2.083 501 R HA -0.249 4.091 4.340 0.000 0.000 0.237 501 R C 2.040 178.476 176.300 0.227 0.000 1.137 501 R CA 2.215 58.600 56.100 0.476 0.000 0.951 501 R CB -0.740 29.806 30.300 0.410 0.000 0.851 501 R HN 0.270 nan 8.270 nan 0.000 0.434 502 H N 0.046 119.182 119.070 0.110 0.000 2.319 502 H HA -0.051 4.506 4.556 0.000 0.000 0.299 502 H C 2.084 177.406 175.328 -0.010 0.000 1.092 502 H CA 2.128 58.188 56.048 0.021 0.000 1.302 502 H CB 0.163 29.922 29.762 -0.006 0.000 1.373 502 H HN 0.128 nan 8.280 nan 0.000 0.497 503 R N -0.322 120.253 120.500 0.125 0.000 2.115 503 R HA -0.026 4.314 4.340 0.000 0.000 0.230 503 R C 2.506 178.787 176.300 -0.031 0.000 1.111 503 R CA 0.802 56.931 56.100 0.048 0.000 0.976 503 R CB -0.162 30.188 30.300 0.085 0.000 0.870 503 R HN 0.374 nan 8.270 nan 0.000 0.445 504 A N 1.267 124.088 122.820 0.003 0.000 1.933 504 A HA -0.165 4.155 4.320 0.000 0.000 0.218 504 A C 2.053 179.408 177.584 -0.381 0.000 1.175 504 A CA 1.088 52.991 52.037 -0.223 0.000 0.628 504 A CB -0.329 18.543 19.000 -0.213 0.000 0.814 504 A HN 0.202 nan 8.150 nan 0.000 0.444 505 R N -0.578 119.744 120.500 -0.297 0.000 2.103 505 R HA -0.146 4.194 4.340 0.000 0.000 0.242 505 R C 2.667 178.807 176.300 -0.266 0.000 1.142 505 R CA 1.630 57.556 56.100 -0.289 0.000 0.960 505 R CB -0.417 29.713 30.300 -0.283 0.000 0.858 505 R HN 0.576 nan 8.270 nan 0.000 0.439 506 S N 0.041 115.592 115.700 -0.248 0.000 2.348 506 S HA -0.118 4.352 4.470 0.000 0.000 0.221 506 S C 2.032 176.509 174.600 -0.205 0.000 1.033 506 S CA 1.469 59.553 58.200 -0.194 0.000 1.010 506 S CB -0.210 62.903 63.200 -0.146 0.000 0.891 506 S HN 0.134 nan 8.310 nan 0.000 0.442 507 V N 2.785 122.536 119.914 -0.271 0.000 2.255 507 V HA -0.184 3.936 4.120 0.000 0.000 0.247 507 V C 2.749 178.619 176.094 -0.374 0.000 1.051 507 V CA 2.354 64.452 62.300 -0.336 0.000 1.018 507 V CB -0.887 30.624 31.823 -0.520 0.000 0.641 507 V HN 0.501 nan 8.190 nan 0.000 0.445 508 R N 0.160 120.372 120.500 -0.480 0.000 2.097 508 R HA -0.252 4.088 4.340 0.000 0.000 0.236 508 R C 2.321 178.520 176.300 -0.168 0.000 1.135 508 R CA 2.148 58.071 56.100 -0.295 0.000 0.934 508 R CB -0.591 29.552 30.300 -0.262 0.000 0.846 508 R HN 0.489 nan 8.270 nan 0.000 0.431 509 A N 0.945 123.666 122.820 -0.165 0.000 1.908 509 A HA -0.188 4.132 4.320 0.000 0.000 0.218 509 A C 2.237 179.772 177.584 -0.083 0.000 1.181 509 A CA 1.701 53.670 52.037 -0.113 0.000 0.627 509 A CB -0.488 18.443 19.000 -0.114 0.000 0.818 509 A HN 0.409 nan 8.150 nan 0.000 0.445 510 R N -0.697 119.751 120.500 -0.087 0.000 2.096 510 R HA -0.030 4.310 4.340 0.000 0.000 0.235 510 R C 2.031 178.318 176.300 -0.022 0.000 1.127 510 R CA 1.449 57.519 56.100 -0.050 0.000 0.968 510 R CB -0.450 29.821 30.300 -0.048 0.000 0.861 510 R HN 0.521 nan 8.270 nan 0.000 0.440 511 L N 0.180 121.386 121.223 -0.028 0.000 2.109 511 L HA -0.139 4.201 4.340 0.000 0.000 0.207 511 L C 2.191 179.067 176.870 0.009 0.000 1.086 511 L CA 0.968 55.818 54.840 0.016 0.000 0.760 511 L CB -0.284 41.789 42.059 0.025 0.000 0.910 511 L HN 0.194 nan 8.230 nan 0.000 0.437 512 L N -1.040 120.171 121.223 -0.020 0.000 2.042 512 L HA -0.225 4.116 4.340 0.000 0.000 0.210 512 L C 2.642 179.505 176.870 -0.012 0.000 1.076 512 L CA 1.129 55.957 54.840 -0.021 0.000 0.749 512 L CB -0.500 41.533 42.059 -0.043 0.000 0.893 512 L HN 0.175 nan 8.230 nan 0.000 0.432 513 S N -0.866 114.825 115.700 -0.016 0.000 2.442 513 S HA -0.161 4.309 4.470 0.000 0.000 0.236 513 S C 1.902 176.505 174.600 0.004 0.000 1.007 513 S CA 0.902 59.096 58.200 -0.010 0.000 0.965 513 S CB -0.118 63.073 63.200 -0.015 0.000 0.773 513 S HN 0.437 nan 8.310 nan 0.000 0.504 514 Q N 0.352 120.161 119.800 0.015 0.000 2.245 514 Q HA 0.155 4.495 4.340 0.000 0.000 0.201 514 Q C 1.496 177.513 176.000 0.028 0.000 0.955 514 Q CA 0.682 56.502 55.803 0.028 0.000 0.870 514 Q CB -0.562 28.205 28.738 0.047 0.000 0.945 514 Q HN 0.544 nan 8.270 nan 0.000 0.461 515 G N 0.010 108.824 108.800 0.024 0.000 2.752 515 G HA2 -0.134 3.826 3.960 0.000 0.000 0.234 515 G HA3 -0.134 3.826 3.960 0.000 0.000 0.234 515 G C 0.490 175.411 174.900 0.035 0.000 1.367 515 G CA 0.122 45.236 45.100 0.024 0.000 0.879 515 G HN 0.726 nan 8.290 nan 0.000 0.563 516 G N -0.857 107.962 108.800 0.032 0.000 2.594 516 G HA2 -0.281 3.679 3.960 0.000 0.000 0.297 516 G HA3 -0.281 3.679 3.960 0.000 0.000 0.297 516 G C 1.232 176.161 174.900 0.047 0.000 1.273 516 G CA 1.437 46.559 45.100 0.037 0.000 0.974 516 G HN 1.433 nan 8.290 nan 0.000 0.552 517 R N 0.299 120.832 120.500 0.055 0.000 2.120 517 R HA 0.035 4.375 4.340 0.000 0.000 0.234 517 R C 3.172 179.527 176.300 0.091 0.000 1.123 517 R CA 1.779 57.919 56.100 0.067 0.000 0.975 517 R CB -0.571 29.772 30.300 0.071 0.000 0.866 517 R HN 0.650 nan 8.270 nan 0.000 0.446 518 A N 1.183 124.063 122.820 0.099 0.000 1.930 518 A HA -0.083 4.237 4.320 0.000 0.000 0.217 518 A C 2.358 179.997 177.584 0.093 0.000 1.175 518 A CA 1.545 53.657 52.037 0.125 0.000 0.627 518 A CB -0.455 18.617 19.000 0.120 0.000 0.815 518 A HN 0.374 nan 8.150 nan 0.000 0.443 519 A N -0.735 122.123 122.820 0.064 0.000 1.933 519 A HA -0.095 4.225 4.320 0.000 0.000 0.218 519 A C 2.286 179.899 177.584 0.049 0.000 1.175 519 A CA 2.297 54.358 52.037 0.040 0.000 0.628 519 A CB -1.289 17.726 19.000 0.026 0.000 0.814 519 A HN 0.440 nan 8.150 nan 0.000 0.444 520 T N -0.610 113.990 114.554 0.076 0.000 2.720 520 T HA -0.215 4.135 4.350 0.000 0.000 0.268 520 T C 1.894 176.668 174.700 0.123 0.000 1.037 520 T CA 1.610 63.788 62.100 0.131 0.000 1.144 520 T CB -0.789 68.133 68.868 0.091 0.000 0.864 520 T HN 0.580 nan 8.240 nan 0.000 0.444 521 C N 1.408 120.753 119.300 0.075 0.000 2.413 521 C HA 0.019 4.479 4.460 0.000 0.000 0.277 521 C C 3.114 178.117 174.990 0.021 0.000 1.265 521 C CA 0.499 59.526 59.018 0.015 0.000 1.752 521 C CB -1.587 26.175 27.740 0.037 0.000 1.998 521 C HN 0.747 nan 8.230 nan 0.000 0.489 522 G N -0.099 108.741 108.800 0.067 0.000 2.402 522 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 522 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 522 G C 1.652 176.563 174.900 0.019 0.000 1.162 522 G CA 0.936 46.093 45.100 0.095 0.000 0.777 522 G HN 0.619 nan 8.290 nan 0.000 0.539 523 K N -0.935 119.432 120.400 -0.055 0.000 2.057 523 K HA -0.061 4.259 4.320 0.000 0.000 0.206 523 K C 2.140 178.524 176.600 -0.359 0.000 1.050 523 K CA 1.121 57.282 56.287 -0.210 0.000 0.935 523 K CB -0.209 32.136 32.500 -0.259 0.000 0.715 523 K HN 0.434 nan 8.250 nan 0.000 0.439 524 Y N 0.344 120.485 120.300 -0.266 0.000 2.266 524 Y HA 0.031 4.581 4.550 0.000 0.000 0.294 524 Y C 1.993 177.671 175.900 -0.370 0.000 1.127 524 Y CA 0.665 58.441 58.100 -0.540 0.000 1.140 524 Y CB -0.028 37.824 38.460 -1.013 0.000 1.071 524 Y HN -0.096 nan 8.280 nan 0.000 0.525 525 L N -1.595 119.535 121.223 -0.154 0.000 2.201 525 L HA -0.129 4.211 4.340 0.000 0.000 0.212 525 L C 0.510 177.170 176.870 -0.349 0.000 1.105 525 L CA 1.254 55.964 54.840 -0.216 0.000 0.775 525 L CB -0.281 41.409 42.059 -0.616 0.000 0.913 525 L HN 0.170 nan 8.230 nan 0.000 0.440 526 F N -1.580 118.365 119.950 -0.009 0.000 2.805 526 F HA 0.202 4.729 4.527 0.000 0.000 0.317 526 F C 1.451 176.968 175.800 -0.471 0.000 1.146 526 F CA -0.417 57.382 58.000 -0.336 0.000 1.265 526 F CB -0.469 38.317 39.000 -0.357 0.000 0.992 526 F HN -0.105 nan 8.300 nan 0.000 0.511 527 N N 0.900 119.553 118.700 -0.080 0.000 2.381 527 N HA -0.157 4.583 4.740 0.000 0.000 0.182 527 N C 1.989 177.489 175.510 -0.017 0.000 1.025 527 N CA 1.307 54.315 53.050 -0.069 0.000 0.888 527 N CB -0.131 38.337 38.487 -0.031 0.000 0.965 527 N HN 0.520 nan 8.380 nan 0.000 0.438 528 W N -0.121 121.232 121.300 0.089 0.000 2.392 528 W HA 0.090 4.750 4.660 0.000 0.000 0.279 528 W C 1.448 178.027 176.519 0.101 0.000 1.225 528 W CA 0.741 58.144 57.345 0.096 0.000 1.233 528 W CB -1.010 28.520 29.460 0.117 0.000 1.122 528 W HN 0.021 nan 8.180 nan 0.000 0.561 529 A N 1.722 124.138 122.820 -0.675 0.000 2.015 529 A HA 0.048 4.368 4.320 0.000 0.000 0.219 529 A C 1.361 178.805 177.584 -0.232 0.000 1.163 529 A CA 1.658 53.288 52.037 -0.678 0.000 0.646 529 A CB -1.078 17.352 19.000 -0.949 0.000 0.806 529 A HN 0.159 nan 8.150 nan 0.000 0.448 530 V N -3.556 116.256 119.914 -0.170 0.000 2.863 530 V HA 0.442 4.562 4.120 0.000 0.000 0.307 530 V C 0.740 176.814 176.094 -0.033 0.000 1.061 530 V CA -0.558 61.684 62.300 -0.096 0.000 1.024 530 V CB 1.391 33.151 31.823 -0.105 0.000 1.049 530 V HN 0.308 nan 8.190 nan 0.000 0.471 531 K N 0.410 120.795 120.400 -0.026 0.000 2.128 531 K HA 0.088 4.408 4.320 0.000 0.000 0.202 531 K C 1.022 177.611 176.600 -0.019 0.000 1.050 531 K CA 1.100 57.382 56.287 -0.009 0.000 0.966 531 K CB 0.090 32.588 32.500 -0.005 0.000 0.759 531 K HN 0.804 nan 8.250 nan 0.000 0.454 532 T N 2.535 117.072 114.554 -0.029 0.000 2.811 532 T HA 0.119 4.470 4.350 0.000 0.000 0.309 532 T C -0.440 174.236 174.700 -0.040 0.000 1.005 532 T CA -0.884 61.197 62.100 -0.032 0.000 0.955 532 T CB 0.230 69.079 68.868 -0.032 0.000 0.970 532 T HN -0.089 nan 8.240 nan 0.000 0.496 533 K N 3.494 123.872 120.400 -0.036 0.000 2.286 533 K HA 0.254 4.574 4.320 0.000 0.000 0.256 533 K C -0.140 176.427 176.600 -0.054 0.000 0.999 533 K CA -0.452 55.811 56.287 -0.040 0.000 0.908 533 K CB 0.538 33.021 32.500 -0.028 0.000 0.981 533 K HN 0.408 nan 8.250 nan 0.000 0.500 534 L N 1.066 122.245 121.223 -0.073 0.000 2.334 534 L HA 0.268 4.608 4.340 0.000 0.000 0.272 534 L C -0.042 176.772 176.870 -0.094 0.000 1.020 534 L CA -0.674 54.110 54.840 -0.093 0.000 0.812 534 L CB 1.300 43.279 42.059 -0.134 0.000 1.264 534 L HN 0.440 nan 8.230 nan 0.000 0.439 535 K N 2.200 122.550 120.400 -0.083 0.000 2.322 535 K HA 0.423 4.743 4.320 0.000 0.000 0.283 535 K C -1.279 175.263 176.600 -0.096 0.000 1.042 535 K CA 0.370 56.620 56.287 -0.061 0.000 0.958 535 K CB 0.218 32.697 32.500 -0.035 0.000 0.984 535 K HN 0.478 nan 8.250 nan 0.000 0.473 536 L N 5.368 126.560 121.223 -0.051 0.000 2.277 536 L HA 0.344 4.684 4.340 0.000 0.000 0.284 536 L C 0.042 176.977 176.870 0.108 0.000 1.028 536 L CA -0.716 54.106 54.840 -0.030 0.000 0.835 536 L CB 1.160 43.238 42.059 0.032 0.000 1.215 536 L HN 0.826 nan 8.230 nan 0.000 0.425 537 T N 0.290 114.934 114.554 0.149 0.000 2.952 537 T HA 0.604 4.954 4.350 0.000 0.000 0.286 537 T C -2.576 172.242 174.700 0.197 0.000 1.024 537 T CA -2.395 59.793 62.100 0.148 0.000 1.029 537 T CB 1.471 70.395 68.868 0.093 0.000 1.094 537 T HN 0.116 nan 8.240 nan 0.000 0.515 538 P HA 0.177 nan 4.420 nan 0.000 0.265 538 P C -0.450 176.856 177.300 0.011 0.000 1.187 538 P CA -0.079 63.055 63.100 0.058 0.000 0.766 538 P CB 0.117 31.839 31.700 0.037 0.000 0.820 539 I N 5.819 126.331 120.570 -0.096 0.000 2.471 539 I HA 0.072 4.242 4.170 0.000 0.000 0.286 539 I C -1.084 174.984 176.117 -0.081 0.000 1.079 539 I CA -1.537 59.661 61.300 -0.170 0.000 1.398 539 I CB 0.830 38.615 38.000 -0.358 0.000 1.403 539 I HN 0.363 nan 8.210 nan 0.000 0.530 540 P HA -0.147 nan 4.420 nan 0.000 0.218 540 P C 0.698 177.977 177.300 -0.036 0.000 1.148 540 P CA 0.835 63.919 63.100 -0.027 0.000 0.822 540 P CB 0.269 31.963 31.700 -0.010 0.000 0.784 541 A N -1.379 121.410 122.820 -0.052 0.000 2.507 541 A HA 0.566 4.886 4.320 0.000 0.000 0.270 541 A C 1.818 179.364 177.584 -0.063 0.000 1.318 541 A CA 0.429 52.438 52.037 -0.048 0.000 0.924 541 A CB -0.718 18.260 19.000 -0.038 0.000 1.061 541 A HN 0.124 nan 8.150 nan 0.000 0.516 542 A N 0.596 123.374 122.820 -0.070 0.000 1.840 542 A HA -0.004 4.316 4.320 0.000 0.000 0.214 542 A C 1.897 179.433 177.584 -0.080 0.000 1.198 542 A CA 1.649 53.639 52.037 -0.078 0.000 0.608 542 A CB -0.695 18.263 19.000 -0.070 0.000 0.839 542 A HN 1.011 nan 8.150 nan 0.000 0.443 543 S N -1.021 114.641 115.700 -0.063 0.000 2.699 543 S HA 0.332 4.802 4.470 0.000 0.000 0.251 543 S C 0.584 175.150 174.600 -0.057 0.000 1.179 543 S CA 0.086 58.248 58.200 -0.063 0.000 1.200 543 S CB 0.449 63.621 63.200 -0.047 0.000 0.848 543 S HN 0.607 nan 8.310 nan 0.000 0.472 544 Q N 0.187 119.950 119.800 -0.062 0.000 2.185 544 Q HA 0.402 4.742 4.340 0.000 0.000 0.234 544 Q C -0.325 175.636 176.000 -0.064 0.000 0.819 544 Q CA -0.087 55.685 55.803 -0.052 0.000 0.961 544 Q CB 0.443 29.158 28.738 -0.038 0.000 1.140 544 Q HN 0.577 nan 8.270 nan 0.000 0.492 545 L N 1.726 122.893 121.223 -0.094 0.000 2.326 545 L HA 0.202 4.542 4.340 0.000 0.000 0.278 545 L C -0.143 176.633 176.870 -0.156 0.000 1.092 545 L CA -0.352 54.412 54.840 -0.127 0.000 0.810 545 L CB 0.958 42.912 42.059 -0.176 0.000 1.153 545 L HN -0.024 nan 8.230 nan 0.000 0.439 546 D N 3.597 123.915 120.400 -0.137 0.000 2.470 546 D HA 0.114 4.754 4.640 0.000 0.000 0.226 546 D C 0.375 176.539 176.300 -0.227 0.000 1.196 546 D CA -0.066 53.857 54.000 -0.129 0.000 0.979 546 D CB 0.860 41.623 40.800 -0.061 0.000 1.059 546 D HN 0.261 nan 8.370 nan 0.000 0.515 547 L N 2.346 123.379 121.223 -0.317 0.000 2.629 547 L HA 0.062 4.402 4.340 0.000 0.000 0.230 547 L C 0.861 177.590 176.870 -0.234 0.000 1.151 547 L CA 0.073 54.585 54.840 -0.546 0.000 0.924 547 L CB -0.385 41.314 42.059 -0.599 0.000 1.137 547 L HN 0.204 nan 8.230 nan 0.000 0.457 548 S N -1.319 114.322 115.700 -0.097 0.000 2.548 548 S HA 0.533 5.003 4.470 0.000 0.000 0.277 548 S C 1.312 175.933 174.600 0.035 0.000 1.315 548 S CA 0.020 58.217 58.200 -0.006 0.000 1.050 548 S CB 1.243 64.438 63.200 -0.009 0.000 0.918 548 S HN 0.507 nan 8.310 nan 0.000 0.497 549 G N 2.382 111.211 108.800 0.048 0.000 2.258 549 G HA2 -0.256 3.704 3.960 0.000 0.000 0.233 549 G HA3 -0.256 3.704 3.960 0.000 0.000 0.233 549 G C 0.588 175.530 174.900 0.070 0.000 1.006 549 G CA 0.250 45.329 45.100 -0.036 0.000 0.620 549 G HN 0.684 nan 8.290 nan 0.000 0.511 550 W N 0.323 121.494 121.300 -0.216 0.000 2.358 550 W HA 0.385 5.045 4.660 -0.000 0.000 0.303 550 W C 1.244 177.335 176.519 -0.712 0.000 1.208 550 W CA 1.612 58.612 57.345 -0.575 0.000 1.274 550 W CB -0.354 28.618 29.460 -0.813 0.000 1.138 550 W HN 0.219 nan 8.180 nan 0.000 0.515 551 F N -1.080 119.032 119.950 0.269 0.000 2.564 551 F HA 0.274 4.801 4.527 -0.000 0.000 0.329 551 F C 0.525 176.452 175.800 0.212 0.000 1.458 551 F CA -0.501 57.656 58.000 0.262 0.000 1.117 551 F CB -0.242 38.877 39.000 0.198 0.000 1.383 551 F HN -0.399 nan 8.300 nan 0.000 0.571 552 V N -0.132 119.980 119.914 0.331 0.000 2.735 552 V HA 0.565 4.685 4.120 0.000 0.000 0.234 552 V C 1.019 177.278 176.094 0.276 0.000 1.121 552 V CA 0.686 63.133 62.300 0.245 0.000 1.160 552 V CB 0.077 32.009 31.823 0.182 0.000 0.908 552 V HN 0.358 nan 8.190 nan 0.000 0.495 553 A N -0.608 122.344 122.820 0.221 0.000 2.532 553 A HA 0.809 5.129 4.320 0.000 0.000 0.290 553 A C -0.114 177.177 177.584 -0.488 0.000 1.143 553 A CA 0.048 52.061 52.037 -0.040 0.000 0.728 553 A CB 1.140 19.918 19.000 -0.369 0.000 1.317 553 A HN 0.436 nan 8.150 nan 0.000 0.414 554 G N -1.574 106.613 108.800 -1.021 0.000 2.425 554 G HA2 0.531 4.491 3.960 0.000 0.000 0.302 554 G HA3 0.531 4.491 3.960 0.000 0.000 0.302 554 G C -0.945 173.299 174.900 -1.095 0.000 1.159 554 G CA -0.051 44.102 45.100 -1.579 0.000 0.865 554 G HN 0.597 nan 8.290 nan 0.000 0.515 555 Y N 0.333 120.426 120.300 -0.346 0.000 2.830 555 Y HA 0.282 4.832 4.550 0.000 0.000 0.248 555 Y C 1.146 176.980 175.900 -0.109 0.000 1.119 555 Y CA -0.784 57.218 58.100 -0.163 0.000 1.164 555 Y CB 0.430 38.828 38.460 -0.103 0.000 1.237 555 Y HN 0.511 nan 8.280 nan 0.000 0.598 556 S N 0.691 116.379 115.700 -0.020 0.000 2.544 556 S HA 0.332 4.802 4.470 0.000 0.000 0.290 556 S C 1.480 176.109 174.600 0.049 0.000 1.276 556 S CA 1.473 59.689 58.200 0.027 0.000 1.075 556 S CB 0.135 63.357 63.200 0.036 0.000 0.849 556 S HN 1.075 nan 8.310 nan 0.000 0.494 557 G N 3.695 112.524 108.800 0.048 0.000 2.220 557 G HA2 -0.259 3.702 3.960 0.000 0.000 0.269 557 G HA3 -0.259 3.702 3.960 0.000 0.000 0.269 557 G C 0.887 175.822 174.900 0.057 0.000 0.977 557 G CA 0.501 45.633 45.100 0.053 0.000 0.634 557 G HN 1.351 nan 8.290 nan 0.000 0.539 558 G N -0.014 108.827 108.800 0.068 0.000 3.026 558 G HA2 0.351 4.311 3.960 0.000 0.000 0.208 558 G HA3 0.351 4.311 3.960 0.000 0.000 0.208 558 G C 0.503 175.431 174.900 0.046 0.000 1.169 558 G CA 1.144 46.299 45.100 0.092 0.000 0.788 558 G HN 1.284 nan 8.290 nan 0.000 0.533 559 D N -0.497 119.899 120.400 -0.006 0.000 2.737 559 D HA -0.169 4.471 4.640 0.000 0.000 0.238 559 D C -0.188 176.059 176.300 -0.089 0.000 1.157 559 D CA 0.383 54.352 54.000 -0.052 0.000 0.694 559 D CB -1.146 39.630 40.800 -0.039 0.000 1.021 559 D HN 0.094 nan 8.370 nan 0.000 0.420 560 I N 1.654 122.135 120.570 -0.148 0.000 2.433 560 I HA 0.413 4.583 4.170 0.000 0.000 0.292 560 I C -0.245 175.648 176.117 -0.373 0.000 1.001 560 I CA -0.817 60.293 61.300 -0.317 0.000 1.119 560 I CB 1.386 39.078 38.000 -0.514 0.000 1.289 560 I HN 0.169 nan 8.210 nan 0.000 0.438 561 Y N 5.487 125.450 120.300 -0.563 0.000 2.373 561 Y HA 0.483 5.033 4.550 0.000 0.000 0.336 561 Y C -0.579 174.980 175.900 -0.569 0.000 0.979 561 Y CA -0.456 57.333 58.100 -0.519 0.000 1.080 561 Y CB 1.371 39.652 38.460 -0.299 0.000 1.190 561 Y HN 0.648 nan 8.280 nan 0.000 0.446 562 H N 0.000 118.523 119.070 -0.912 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.673 56.048 -0.625 0.000 1.023 562 H CB 0.000 29.394 29.762 -0.613 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496