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 1aso_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQIRHYKWEV EYMFWAPNcN ENIVMGINGQ FPGPTIRANA GDSVVVELTN DATA SEQUENCE KLHTEGVVIH WHGILQRGTP WADGTASISQ cAINPGETFF YNFTVDNPGT DATA SEQUENCE FFYHGHLGMQ RSAGLYGSLI VDPPQGKKEP FHYDGEINLL LSDWWHQSIH DATA SEQUENCE KQEVGLSSKP IRWIGEPQTI LLNGRGQFDc SIAAKYDSNL EPcKLKGSES DATA SEQUENCE cAPYIFHVSP KKTYRIRIAS TTALAALNFA IGNHQLLVVE ADGNYVQPFY DATA SEQUENCE TSDIDIYSGE SYSVLITTDQ NPSENYWVSV GTRARHPNTP PGLTLLNYLP DATA SEQUENCE NSVSKLPTSP PPQTPAWDDF DRSKNFTYRI TAAMGSPKPP VKFNRRIFLL DATA SEQUENCE NTQNVINGYV KWAINDVSLA LPPTPYLGAM KYNLLHAFDQ NPPPEVFPED DATA SEQUENCE YDIDTPPTNE KTRIGNGVYQ FKIGEVVDVI LQNANMMKEN LSETHPWHLH DATA SEQUENCE GHDFWVLGYG DGKFSAEEES SLNLKNPPLR NTVVIFPYGW TAIRFVADNP DATA SEQUENCE GVWAFHCHIE PHLHMGMGVV FAEGVEKVGR IPTKALAcGG TAKSLINNPK DATA SEQUENCE NP 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 0.000 174.584 174.600 -0.026 0.000 1.055 1 S CA 0.000 58.188 58.200 -0.021 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 2 Q N 1.035 120.813 119.800 -0.036 0.000 2.594 2 Q HA 0.551 4.890 4.340 -0.001 0.000 0.278 2 Q C -2.146 173.816 176.000 -0.063 0.000 0.961 2 Q CA -0.582 55.196 55.803 -0.043 0.000 0.844 2 Q CB 1.362 30.080 28.738 -0.035 0.000 1.475 2 Q HN 0.743 nan 8.270 nan 0.000 0.389 3 I N 2.935 123.462 120.570 -0.073 0.000 2.354 3 I HA 0.486 4.655 4.170 -0.001 0.000 0.292 3 I C -0.424 175.622 176.117 -0.119 0.000 0.989 3 I CA -0.884 60.359 61.300 -0.095 0.000 1.188 3 I CB 1.222 39.177 38.000 -0.076 0.000 1.342 3 I HN 0.332 nan 8.210 nan 0.000 0.457 4 R N 4.686 125.085 120.500 -0.168 0.000 2.239 4 R HA 0.321 4.661 4.340 -0.001 0.000 0.332 4 R C -0.806 175.230 176.300 -0.440 0.000 0.988 4 R CA -0.811 55.126 56.100 -0.273 0.000 0.859 4 R CB 0.773 30.991 30.300 -0.137 0.000 1.148 4 R HN 0.566 nan 8.270 nan 0.000 0.482 5 H N 2.252 120.969 119.070 -0.587 0.000 2.517 5 H HA 0.359 4.914 4.556 -0.001 0.000 0.317 5 H C -1.055 173.798 175.328 -0.793 0.000 1.080 5 H CA -0.220 55.525 56.048 -0.505 0.000 1.301 5 H CB 0.546 30.150 29.762 -0.264 0.000 1.425 5 H HN 0.385 nan 8.280 nan 0.000 0.471 6 Y N 3.059 122.999 120.300 -0.601 0.000 2.409 6 Y HA 0.259 4.809 4.550 -0.001 0.000 0.343 6 Y C -0.321 175.278 175.900 -0.501 0.000 0.973 6 Y CA -1.112 56.670 58.100 -0.530 0.000 1.064 6 Y CB 1.652 39.522 38.460 -0.983 0.000 1.207 6 Y HN 0.499 nan 8.280 nan 0.000 0.452 7 K N 2.824 123.225 120.400 0.002 0.000 2.316 7 K HA 0.417 4.736 4.320 -0.001 0.000 0.267 7 K C -2.044 174.769 176.600 0.354 0.000 1.025 7 K CA -0.303 56.052 56.287 0.113 0.000 0.896 7 K CB 0.509 33.114 32.500 0.174 0.000 1.124 7 K HN 0.524 nan 8.250 nan 0.000 0.451 8 W N 2.850 124.172 121.300 0.037 0.000 2.915 8 W HA 0.407 5.066 4.660 -0.001 0.000 0.337 8 W C -0.755 175.779 176.519 0.025 0.000 1.102 8 W CA -0.754 56.615 57.345 0.042 0.000 1.224 8 W CB 1.658 31.147 29.460 0.048 0.000 1.416 8 W HN 0.535 nan 8.180 nan 0.000 0.503 9 E N 1.432 121.734 120.200 0.171 0.000 2.266 9 E HA 0.628 4.978 4.350 -0.001 0.000 0.268 9 E C -1.348 175.252 176.600 -0.001 0.000 0.879 9 E CA -1.141 55.306 56.400 0.079 0.000 0.762 9 E CB 2.706 32.432 29.700 0.043 0.000 1.199 9 E HN -0.003 nan 8.360 nan 0.000 0.422 10 V N 1.688 121.590 119.914 -0.020 0.000 2.435 10 V HA 0.441 4.560 4.120 -0.001 0.000 0.290 10 V C -0.204 175.808 176.094 -0.136 0.000 1.030 10 V CA -0.472 61.772 62.300 -0.092 0.000 0.881 10 V CB 1.336 33.104 31.823 -0.092 0.000 0.983 10 V HN 0.760 nan 8.190 nan 0.000 0.445 11 E N 2.333 122.433 120.200 -0.167 0.000 2.366 11 E HA 0.485 4.834 4.350 -0.001 0.000 0.278 11 E C -1.797 174.696 176.600 -0.179 0.000 0.923 11 E CA -0.738 55.560 56.400 -0.170 0.000 0.761 11 E CB 1.966 31.616 29.700 -0.083 0.000 1.231 11 E HN 0.559 nan 8.360 nan 0.000 0.443 12 Y N 2.924 123.171 120.300 -0.089 0.000 2.346 12 Y HA 0.268 4.817 4.550 -0.001 0.000 0.330 12 Y C 0.560 176.401 175.900 -0.098 0.000 1.178 12 Y CA 0.291 58.335 58.100 -0.093 0.000 1.331 12 Y CB 0.765 39.161 38.460 -0.106 0.000 1.253 12 Y HN 0.405 nan 8.280 nan 0.000 0.529 13 M N 1.091 120.739 119.600 0.079 0.000 2.575 13 M HA 0.563 5.042 4.480 -0.001 0.000 0.284 13 M C -1.816 174.493 176.300 0.015 0.000 1.253 13 M CA -0.957 54.374 55.300 0.051 0.000 0.861 13 M CB 1.909 34.574 32.600 0.108 0.000 1.733 13 M HN 0.241 nan 8.290 nan 0.000 0.462 14 F N 1.957 121.999 119.950 0.154 0.000 2.443 14 F HA 0.519 5.045 4.527 -0.001 0.000 0.353 14 F C -0.266 175.676 175.800 0.236 0.000 1.101 14 F CA 0.713 58.795 58.000 0.137 0.000 1.226 14 F CB 0.694 39.741 39.000 0.079 0.000 1.140 14 F HN 0.483 nan 8.300 nan 0.000 0.557 15 W N 2.068 123.430 121.300 0.104 0.000 3.153 15 W HA 0.573 5.232 4.660 -0.001 0.000 0.316 15 W C -1.790 174.686 176.519 -0.071 0.000 1.255 15 W CA -1.296 56.039 57.345 -0.017 0.000 1.192 15 W CB 1.937 31.315 29.460 -0.136 0.000 1.400 15 W HN 0.440 nan 8.180 nan 0.000 0.568 16 A N 5.124 127.565 122.820 -0.632 0.000 2.938 16 A HA 0.482 4.801 4.320 -0.001 0.000 0.344 16 A C -2.085 175.290 177.584 -0.350 0.000 1.142 16 A CA -1.282 50.526 52.037 -0.382 0.000 0.841 16 A CB 0.783 19.588 19.000 -0.325 0.000 1.083 16 A HN 0.205 nan 8.150 nan 0.000 0.479 17 P HA -0.169 nan 4.420 nan 0.000 0.218 17 P C 0.704 177.946 177.300 -0.097 0.000 1.148 17 P CA 1.716 64.722 63.100 -0.157 0.000 0.822 17 P CB 0.012 31.348 31.700 -0.607 0.000 0.784 18 N N -2.939 115.705 118.700 -0.092 0.000 2.351 18 N HA 0.187 4.926 4.740 -0.001 0.000 0.254 18 N C -0.522 175.023 175.510 0.059 0.000 1.241 18 N CA -0.404 52.677 53.050 0.052 0.000 0.883 18 N CB -0.394 38.209 38.487 0.193 0.000 1.202 18 N HN -0.155 nan 8.380 nan 0.000 0.512 19 c N 0.416 118.995 118.600 -0.035 0.000 4.417 19 c HA -0.156 4.413 4.570 -0.001 0.000 0.284 19 c C -0.499 173.565 174.090 -0.043 0.000 1.379 19 c CA 0.116 56.411 56.329 -0.056 0.000 1.918 19 c CB -2.724 39.778 42.510 -0.013 0.000 1.280 19 c HN 0.683 nan 8.230 nan 0.000 0.783 20 N N 0.654 119.318 118.700 -0.060 0.000 2.399 20 N HA 0.299 5.038 4.740 -0.001 0.000 0.284 20 N C -0.571 174.882 175.510 -0.095 0.000 1.025 20 N CA -0.327 52.662 53.050 -0.102 0.000 0.885 20 N CB 1.553 39.898 38.487 -0.237 0.000 1.339 20 N HN 0.608 nan 8.380 nan 0.000 0.487 21 E N 2.039 122.197 120.200 -0.071 0.000 2.373 21 E HA 0.131 4.480 4.350 -0.001 0.000 0.267 21 E C -0.699 175.943 176.600 0.069 0.000 1.032 21 E CA -0.024 56.373 56.400 -0.004 0.000 0.889 21 E CB 0.694 30.393 29.700 -0.002 0.000 0.984 21 E HN 0.477 nan 8.360 nan 0.000 0.425 22 N N 2.271 121.074 118.700 0.171 0.000 3.449 22 N HA 0.311 5.050 4.740 -0.001 0.000 0.312 22 N C -1.455 174.170 175.510 0.192 0.000 1.582 22 N CA -0.527 52.641 53.050 0.198 0.000 0.850 22 N CB 0.979 39.642 38.487 0.293 0.000 1.822 22 N HN 0.526 nan 8.380 nan 0.000 0.577 23 I N -0.941 119.676 120.570 0.078 0.000 2.493 23 I HA 0.716 4.886 4.170 -0.001 0.000 0.298 23 I C -0.516 175.668 176.117 0.112 0.000 0.998 23 I CA -0.729 60.541 61.300 -0.050 0.000 1.137 23 I CB 1.815 39.622 38.000 -0.323 0.000 1.310 23 I HN 0.057 nan 8.210 nan 0.000 0.445 24 V N 6.055 126.018 119.914 0.082 0.000 2.914 24 V HA 0.440 4.559 4.120 -0.001 0.000 0.314 24 V C -0.364 175.772 176.094 0.070 0.000 1.084 24 V CA -0.892 61.405 62.300 -0.005 0.000 0.963 24 V CB 2.418 34.025 31.823 -0.361 0.000 1.025 24 V HN 0.836 nan 8.190 nan 0.000 0.432 25 M N 3.600 123.208 119.600 0.013 0.000 2.063 25 M HA 0.573 5.052 4.480 -0.001 0.000 0.348 25 M C 0.182 176.408 176.300 -0.124 0.000 1.180 25 M CA -0.154 55.070 55.300 -0.127 0.000 1.059 25 M CB 0.436 32.915 32.600 -0.201 0.000 1.544 25 M HN 0.800 nan 8.290 nan 0.000 0.447 26 G N 4.977 113.697 108.800 -0.133 0.000 2.441 26 G HA2 0.712 4.672 3.960 -0.001 0.000 0.334 26 G HA3 0.712 4.672 3.960 -0.001 0.000 0.334 26 G C -1.123 173.671 174.900 -0.176 0.000 1.161 26 G CA -0.683 44.332 45.100 -0.142 0.000 0.935 26 G HN 0.737 nan 8.290 nan 0.000 0.488 27 I N 0.945 121.376 120.570 -0.233 0.000 2.378 27 I HA 0.196 4.366 4.170 -0.001 0.000 0.291 27 I C -0.227 175.728 176.117 -0.269 0.000 0.992 27 I CA -0.670 60.448 61.300 -0.303 0.000 1.154 27 I CB 1.777 39.443 38.000 -0.557 0.000 1.315 27 I HN 0.473 nan 8.210 nan 0.000 0.448 28 N N 4.997 123.595 118.700 -0.170 0.000 2.716 28 N HA -0.202 4.537 4.740 -0.001 0.000 0.250 28 N C 0.816 176.284 175.510 -0.070 0.000 1.033 28 N CA 1.373 54.371 53.050 -0.087 0.000 0.727 28 N CB -0.986 37.452 38.487 -0.081 0.000 0.950 28 N HN 1.111 nan 8.380 nan 0.000 0.541 29 G N -1.252 107.505 108.800 -0.071 0.000 2.155 29 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.257 29 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.257 29 G C -0.174 174.662 174.900 -0.106 0.000 0.983 29 G CA 0.853 45.925 45.100 -0.047 0.000 0.676 29 G HN 0.874 nan 8.290 nan 0.000 0.528 30 Q N -1.424 118.268 119.800 -0.180 0.000 2.423 30 Q HA 0.801 5.140 4.340 -0.001 0.000 0.278 30 Q C -1.371 174.432 176.000 -0.328 0.000 1.097 30 Q CA -1.354 54.285 55.803 -0.273 0.000 0.809 30 Q CB 2.364 30.982 28.738 -0.199 0.000 1.391 30 Q HN 0.613 nan 8.270 nan 0.000 0.428 31 F N 1.556 121.104 119.950 -0.670 0.000 2.539 31 F HA 0.589 5.115 4.527 -0.001 0.000 0.318 31 F C -2.716 172.782 175.800 -0.503 0.000 1.135 31 F CA -2.028 55.576 58.000 -0.661 0.000 0.915 31 F CB 1.742 40.182 39.000 -0.935 0.000 1.176 31 F HN 0.472 nan 8.300 nan 0.000 0.440 32 P HA 0.284 nan 4.420 nan 0.000 0.274 32 P C -0.195 176.805 177.300 -0.500 0.000 1.264 32 P CA -0.264 62.237 63.100 -0.998 0.000 0.795 32 P CB 0.384 31.669 31.700 -0.693 0.000 1.064 33 G N 0.391 108.957 108.800 -0.389 0.000 2.690 33 G HA2 0.236 4.196 3.960 -0.001 0.000 0.239 33 G HA3 0.236 4.196 3.960 -0.001 0.000 0.239 33 G C -2.373 172.444 174.900 -0.137 0.000 1.233 33 G CA -0.634 44.322 45.100 -0.241 0.000 0.847 33 G HN 0.334 nan 8.290 nan 0.000 0.588 34 P HA 0.166 nan 4.420 nan 0.000 0.268 34 P C 0.148 177.576 177.300 0.213 0.000 1.205 34 P CA 0.043 63.157 63.100 0.023 0.000 0.771 34 P CB 0.566 32.285 31.700 0.033 0.000 0.858 35 T N 3.670 118.334 114.554 0.183 0.000 2.884 35 T HA 0.318 4.668 4.350 -0.001 0.000 0.298 35 T C 0.637 175.461 174.700 0.206 0.000 0.998 35 T CA -0.087 62.143 62.100 0.217 0.000 1.124 35 T CB -0.009 68.941 68.868 0.136 0.000 0.931 35 T HN 0.203 nan 8.240 nan 0.000 0.531 36 I N 3.153 123.840 120.570 0.195 0.000 2.396 36 I HA 0.466 4.635 4.170 -0.001 0.000 0.292 36 I C 0.564 176.761 176.117 0.134 0.000 0.999 36 I CA -0.531 60.784 61.300 0.026 0.000 1.310 36 I CB 1.158 39.093 38.000 -0.108 0.000 1.404 36 I HN 0.360 nan 8.210 nan 0.000 0.496 37 R N 4.758 125.355 120.500 0.160 0.000 2.538 37 R HA 0.795 5.135 4.340 -0.001 0.000 0.292 37 R C -1.510 174.875 176.300 0.141 0.000 1.008 37 R CA -0.295 55.893 56.100 0.147 0.000 0.896 37 R CB 1.934 32.314 30.300 0.133 0.000 1.187 37 R HN 0.804 nan 8.270 nan 0.000 0.440 38 A N 3.268 126.158 122.820 0.116 0.000 2.524 38 A HA 0.617 4.937 4.320 -0.001 0.000 0.289 38 A C -1.423 176.205 177.584 0.074 0.000 1.248 38 A CA -0.983 51.104 52.037 0.083 0.000 0.712 38 A CB 1.620 20.655 19.000 0.059 0.000 1.312 38 A HN 0.779 nan 8.150 nan 0.000 0.441 39 N N -0.525 118.205 118.700 0.050 0.000 2.335 39 N HA 0.598 5.337 4.740 -0.001 0.000 0.304 39 N C -0.308 175.226 175.510 0.040 0.000 1.135 39 N CA -0.173 52.906 53.050 0.048 0.000 0.817 39 N CB 1.802 40.309 38.487 0.033 0.000 1.294 39 N HN 0.939 nan 8.380 nan 0.000 0.497 40 A N 0.349 123.197 122.820 0.047 0.000 2.546 40 A HA 0.438 4.757 4.320 -0.001 0.000 0.243 40 A C 1.426 179.019 177.584 0.015 0.000 1.063 40 A CA 0.886 52.945 52.037 0.036 0.000 0.757 40 A CB -0.981 18.047 19.000 0.047 0.000 0.991 40 A HN 1.010 nan 8.150 nan 0.000 0.503 41 G N 2.188 110.988 108.800 0.001 0.000 2.232 41 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.226 41 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.226 41 G C 0.044 174.930 174.900 -0.024 0.000 0.996 41 G CA 0.305 45.399 45.100 -0.010 0.000 0.626 41 G HN 0.807 nan 8.290 nan 0.000 0.509 42 D N 0.864 121.248 120.400 -0.027 0.000 2.369 42 D HA 0.546 5.186 4.640 -0.001 0.000 0.241 42 D C 0.496 176.743 176.300 -0.089 0.000 1.271 42 D CA 0.672 54.642 54.000 -0.050 0.000 0.942 42 D CB 0.813 41.587 40.800 -0.043 0.000 1.129 42 D HN 0.203 nan 8.370 nan 0.000 0.476 43 S N -0.351 115.275 115.700 -0.124 0.000 2.473 43 S HA 0.507 4.977 4.470 -0.001 0.000 0.307 43 S C -0.472 173.950 174.600 -0.297 0.000 1.094 43 S CA -0.839 57.245 58.200 -0.194 0.000 1.070 43 S CB 1.623 64.741 63.200 -0.136 0.000 1.019 43 S HN 0.146 nan 8.310 nan 0.000 0.480 44 V N 3.358 122.932 119.914 -0.567 0.000 2.435 44 V HA 0.536 4.655 4.120 -0.001 0.000 0.290 44 V C -0.457 175.219 176.094 -0.698 0.000 1.030 44 V CA -0.564 61.323 62.300 -0.689 0.000 0.881 44 V CB 1.667 32.814 31.823 -1.127 0.000 0.983 44 V HN 0.676 nan 8.190 nan 0.000 0.445 45 V N 5.408 125.067 119.914 -0.425 0.000 2.483 45 V HA 0.502 4.621 4.120 -0.001 0.000 0.297 45 V C -0.498 175.378 176.094 -0.363 0.000 1.027 45 V CA -0.501 61.633 62.300 -0.276 0.000 0.855 45 V CB 2.068 33.837 31.823 -0.090 0.000 0.995 45 V HN 0.597 nan 8.190 nan 0.000 0.424 46 V N 5.317 125.075 119.914 -0.261 0.000 2.407 46 V HA 0.424 4.543 4.120 -0.001 0.000 0.291 46 V C -0.137 175.837 176.094 -0.201 0.000 1.018 46 V CA -0.664 61.447 62.300 -0.315 0.000 0.842 46 V CB 1.912 33.550 31.823 -0.308 0.000 0.996 46 V HN 1.024 nan 8.190 nan 0.000 0.426 47 E N 5.241 125.195 120.200 -0.410 0.000 2.081 47 E HA 0.590 4.940 4.350 -0.001 0.000 0.276 47 E C -1.024 175.467 176.600 -0.183 0.000 0.950 47 E CA -0.788 55.256 56.400 -0.593 0.000 0.776 47 E CB 2.076 31.163 29.700 -1.022 0.000 1.094 47 E HN 0.432 nan 8.360 nan 0.000 0.402 48 L N 3.425 124.635 121.223 -0.022 0.000 2.282 48 L HA 0.348 4.688 4.340 -0.001 0.000 0.288 48 L C -0.822 176.109 176.870 0.102 0.000 1.033 48 L CA 0.044 54.991 54.840 0.178 0.000 0.807 48 L CB 1.761 44.053 42.059 0.389 0.000 1.209 48 L HN 0.591 nan 8.230 nan 0.000 0.423 49 T N 4.191 118.803 114.554 0.098 0.000 2.758 49 T HA 0.252 4.601 4.350 -0.001 0.000 0.285 49 T C -0.097 174.638 174.700 0.059 0.000 0.981 49 T CA -0.310 61.829 62.100 0.065 0.000 0.965 49 T CB 0.372 69.269 68.868 0.049 0.000 0.927 49 T HN 0.636 nan 8.240 nan 0.000 0.448 50 N N 2.751 121.478 118.700 0.045 0.000 2.399 50 N HA 0.081 4.820 4.740 -0.001 0.000 0.259 50 N C 0.712 176.209 175.510 -0.023 0.000 1.160 50 N CA -0.360 52.696 53.050 0.011 0.000 0.946 50 N CB 0.211 38.708 38.487 0.017 0.000 1.156 50 N HN 0.231 nan 8.380 nan 0.000 0.489 51 K N 3.618 123.980 120.400 -0.063 0.000 2.498 51 K HA 0.204 4.523 4.320 -0.001 0.000 0.207 51 K C -0.260 176.203 176.600 -0.228 0.000 1.033 51 K CA -0.183 56.042 56.287 -0.104 0.000 1.138 51 K CB 0.122 32.577 32.500 -0.075 0.000 0.860 51 K HN 0.571 nan 8.250 nan 0.000 0.490 52 L N -0.060 121.042 121.223 -0.202 0.000 2.439 52 L HA 0.195 4.534 4.340 -0.001 0.000 0.261 52 L C 1.466 178.206 176.870 -0.215 0.000 1.153 52 L CA -0.380 54.320 54.840 -0.234 0.000 0.808 52 L CB 0.487 42.466 42.059 -0.133 0.000 1.126 52 L HN 0.213 nan 8.230 nan 0.000 0.460 53 H N -0.967 118.146 119.070 0.072 0.000 2.399 53 H HA -0.028 4.527 4.556 -0.001 0.000 0.300 53 H C 1.316 176.668 175.328 0.040 0.000 1.048 53 H CA 1.406 57.484 56.048 0.050 0.000 1.370 53 H CB 0.302 30.091 29.762 0.045 0.000 1.428 53 H HN 0.766 nan 8.280 nan 0.000 0.534 54 T N -2.516 112.132 114.554 0.157 0.000 3.043 54 T HA 0.237 4.586 4.350 -0.001 0.000 0.272 54 T C 0.414 175.158 174.700 0.073 0.000 0.990 54 T CA -0.308 61.849 62.100 0.095 0.000 0.897 54 T CB 0.703 69.616 68.868 0.075 0.000 1.111 54 T HN 0.105 nan 8.240 nan 0.000 0.529 55 E N 0.859 121.106 120.200 0.079 0.000 2.202 55 E HA 0.597 4.946 4.350 -0.001 0.000 0.272 55 E C 0.016 176.639 176.600 0.038 0.000 0.951 55 E CA -1.021 55.422 56.400 0.072 0.000 0.813 55 E CB 1.768 31.538 29.700 0.117 0.000 1.151 55 E HN 0.406 nan 8.360 nan 0.000 0.398 56 G N 0.693 109.512 108.800 0.032 0.000 2.504 56 G HA2 0.456 4.415 3.960 -0.001 0.000 0.288 56 G HA3 0.456 4.415 3.960 -0.001 0.000 0.288 56 G C -0.947 173.959 174.900 0.009 0.000 1.182 56 G CA -0.257 44.852 45.100 0.014 0.000 0.894 56 G HN 0.322 nan 8.290 nan 0.000 0.521 57 V N -0.278 119.637 119.914 0.001 0.000 3.130 57 V HA 0.787 4.906 4.120 -0.001 0.000 0.310 57 V C -0.652 175.453 176.094 0.019 0.000 1.158 57 V CA -0.258 62.047 62.300 0.008 0.000 1.029 57 V CB 2.388 34.210 31.823 -0.001 0.000 1.057 57 V HN 1.253 nan 8.190 nan 0.000 0.436 58 V N 2.467 122.406 119.914 0.043 0.000 3.147 58 V HA 0.727 4.846 4.120 -0.001 0.000 0.306 58 V C -1.452 174.656 176.094 0.024 0.000 1.209 58 V CA -0.747 61.600 62.300 0.077 0.000 1.023 58 V CB 2.269 34.127 31.823 0.059 0.000 1.059 58 V HN 0.696 nan 8.190 nan 0.000 0.435 59 I N 2.115 122.612 120.570 -0.123 0.000 2.569 59 I HA 0.503 4.673 4.170 -0.001 0.000 0.290 59 I C -1.172 174.420 176.117 -0.875 0.000 1.088 59 I CA -0.192 60.819 61.300 -0.481 0.000 1.047 59 I CB 1.843 39.422 38.000 -0.702 0.000 1.237 59 I HN 1.033 nan 8.210 nan 0.000 0.421 60 H N 5.355 123.924 119.070 -0.835 0.000 2.472 60 H HA 0.466 5.022 4.556 -0.001 0.000 0.338 60 H C -1.625 173.081 175.328 -1.036 0.000 1.133 60 H CA -0.450 55.109 56.048 -0.815 0.000 1.216 60 H CB 1.105 30.632 29.762 -0.391 0.000 1.497 60 H HN 0.407 nan 8.280 nan 0.000 0.500 61 W N 4.908 125.605 121.300 -1.004 0.000 2.298 61 W HA 0.210 4.869 4.660 -0.001 0.000 0.327 61 W C -0.252 175.665 176.519 -1.004 0.000 0.988 61 W CA -0.940 55.940 57.345 -0.775 0.000 1.448 61 W CB -0.067 28.900 29.460 -0.821 0.000 1.243 61 W HN 0.675 nan 8.180 nan 0.000 0.388 62 H N 1.802 120.362 119.070 -0.850 0.000 2.975 62 H HA 0.360 4.916 4.556 -0.001 0.000 0.303 62 H C 1.393 176.447 175.328 -0.458 0.000 1.023 62 H CA 1.827 57.444 56.048 -0.718 0.000 1.473 62 H CB 0.548 29.701 29.762 -1.015 0.000 1.498 62 H HN 0.801 nan 8.280 nan 0.000 0.549 63 G N 4.663 113.184 108.800 -0.465 0.000 2.175 63 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.244 63 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.244 63 G C -0.115 174.468 174.900 -0.528 0.000 0.982 63 G CA 0.083 45.004 45.100 -0.298 0.000 0.641 63 G HN 0.529 nan 8.290 nan 0.000 0.527 64 I N 1.307 121.538 120.570 -0.565 0.000 2.365 64 I HA 0.356 4.526 4.170 -0.001 0.000 0.291 64 I C 1.840 177.687 176.117 -0.451 0.000 1.004 64 I CA -0.735 60.209 61.300 -0.594 0.000 1.311 64 I CB 1.214 38.856 38.000 -0.597 0.000 1.401 64 I HN 0.002 nan 8.210 nan 0.000 0.491 65 L N 4.865 125.839 121.223 -0.416 0.000 2.395 65 L HA -0.042 4.297 4.340 -0.001 0.000 0.218 65 L C 0.746 177.381 176.870 -0.392 0.000 1.130 65 L CA 0.344 54.925 54.840 -0.431 0.000 0.826 65 L CB -0.324 41.504 42.059 -0.385 0.000 0.941 65 L HN 0.576 nan 8.230 nan 0.000 0.451 66 Q N 0.157 119.803 119.800 -0.256 0.000 2.468 66 Q HA -0.224 4.116 4.340 -0.001 0.000 0.289 66 Q C 0.058 176.030 176.000 -0.045 0.000 1.299 66 Q CA 0.573 56.305 55.803 -0.118 0.000 0.838 66 Q CB -1.530 27.261 28.738 0.087 0.000 1.195 66 Q HN 0.350 nan 8.270 nan 0.000 0.456 67 R N 0.177 120.613 120.500 -0.106 0.000 2.345 67 R HA 0.316 4.655 4.340 -0.001 0.000 0.331 67 R C 1.487 177.775 176.300 -0.020 0.000 1.067 67 R CA 1.592 57.651 56.100 -0.067 0.000 0.962 67 R CB -0.254 29.989 30.300 -0.095 0.000 0.987 67 R HN 0.493 nan 8.270 nan 0.000 0.451 68 G N 2.074 110.889 108.800 0.024 0.000 2.284 68 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.230 68 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.230 68 G C 0.354 175.261 174.900 0.011 0.000 1.021 68 G CA 0.369 45.493 45.100 0.041 0.000 0.619 68 G HN 0.668 nan 8.290 nan 0.000 0.510 69 T N -0.694 113.774 114.554 -0.143 0.000 3.327 69 T HA 0.624 4.974 4.350 -0.001 0.000 0.244 69 T C -0.903 173.408 174.700 -0.648 0.000 1.074 69 T CA -0.433 61.309 62.100 -0.596 0.000 1.156 69 T CB 1.642 70.096 68.868 -0.691 0.000 1.087 69 T HN 0.265 nan 8.240 nan 0.000 0.575 70 P HA -0.104 nan 4.420 nan 0.000 0.221 70 P C 1.630 178.864 177.300 -0.110 0.000 1.145 70 P CA 0.841 63.868 63.100 -0.121 0.000 0.795 70 P CB -0.244 31.357 31.700 -0.164 0.000 0.775 71 W N -0.177 121.195 121.300 0.119 0.000 2.611 71 W HA 0.282 4.942 4.660 -0.001 0.000 0.251 71 W C 0.882 177.595 176.519 0.323 0.000 1.265 71 W CA 0.510 57.961 57.345 0.177 0.000 1.295 71 W CB -1.316 28.245 29.460 0.168 0.000 1.129 71 W HN -0.046 nan 8.180 nan 0.000 0.630 72 A N 0.707 123.545 122.820 0.030 0.000 2.465 72 A HA 0.069 4.389 4.320 -0.001 0.000 0.255 72 A C 1.340 179.197 177.584 0.456 0.000 1.274 72 A CA 0.498 52.781 52.037 0.411 0.000 0.920 72 A CB -0.572 18.459 19.000 0.051 0.000 1.033 72 A HN 0.089 nan 8.150 nan 0.000 0.516 73 D N 0.382 120.969 120.400 0.311 0.000 2.219 73 D HA 0.048 4.687 4.640 -0.001 0.000 0.205 73 D C 1.432 177.921 176.300 0.315 0.000 0.970 73 D CA 1.750 55.953 54.000 0.338 0.000 0.851 73 D CB -0.100 40.905 40.800 0.341 0.000 0.943 73 D HN 0.633 nan 8.370 nan 0.000 0.488 74 G N 0.293 109.272 108.800 0.297 0.000 2.212 74 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.255 74 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.255 74 G C 0.101 175.012 174.900 0.019 0.000 1.062 74 G CA 0.559 45.761 45.100 0.171 0.000 0.815 74 G HN 0.552 nan 8.290 nan 0.000 0.497 75 T N -1.864 112.667 114.554 -0.038 0.000 2.788 75 T HA 0.794 5.144 4.350 -0.001 0.000 0.296 75 T C 0.409 175.075 174.700 -0.056 0.000 1.009 75 T CA 0.260 62.249 62.100 -0.185 0.000 0.949 75 T CB 1.993 70.644 68.868 -0.361 0.000 0.946 75 T HN 1.725 nan 8.240 nan 0.000 0.453 76 A N 2.838 125.650 122.820 -0.014 0.000 2.511 76 A HA 0.533 4.852 4.320 -0.001 0.000 0.242 76 A C 1.304 178.871 177.584 -0.028 0.000 1.069 76 A CA 0.015 52.045 52.037 -0.012 0.000 0.763 76 A CB -0.696 18.306 19.000 0.003 0.000 1.001 76 A HN 1.633 nan 8.150 nan 0.000 0.498 77 S N 0.271 115.943 115.700 -0.046 0.000 3.127 77 S HA -0.197 4.273 4.470 -0.001 0.000 0.281 77 S C 0.871 175.423 174.600 -0.081 0.000 1.293 77 S CA 1.625 59.767 58.200 -0.096 0.000 1.156 77 S CB -1.974 61.156 63.200 -0.117 0.000 1.389 77 S HN 0.722 nan 8.310 nan 0.000 0.672 78 I N 0.213 120.782 120.570 -0.003 0.000 3.674 78 I HA 0.042 4.211 4.170 -0.001 0.000 0.248 78 I C 2.070 178.196 176.117 0.015 0.000 1.134 78 I CA 0.840 62.190 61.300 0.083 0.000 1.519 78 I CB -0.257 37.755 38.000 0.020 0.000 1.598 78 I HN 0.331 nan 8.210 nan 0.000 0.442 79 S N 0.233 115.926 115.700 -0.013 0.000 2.458 79 S HA 0.067 4.536 4.470 -0.001 0.000 0.223 79 S C 0.571 175.229 174.600 0.098 0.000 1.019 79 S CA -0.177 58.038 58.200 0.025 0.000 0.937 79 S CB -0.176 63.051 63.200 0.044 0.000 0.788 79 S HN 0.592 nan 8.310 nan 0.000 0.511 80 Q N -1.053 118.784 119.800 0.061 0.000 2.522 80 Q HA 0.563 4.903 4.340 -0.001 0.000 0.285 80 Q C -1.457 174.540 176.000 -0.005 0.000 0.982 80 Q CA -1.115 54.721 55.803 0.055 0.000 0.805 80 Q CB 0.714 29.474 28.738 0.036 0.000 1.457 80 Q HN 0.144 nan 8.270 nan 0.000 0.394 81 c N 1.566 120.162 118.600 -0.008 0.000 2.676 81 c HA 0.655 5.224 4.570 -0.001 0.000 0.416 81 c C 1.045 175.089 174.090 -0.076 0.000 1.299 81 c CA 0.160 56.472 56.329 -0.030 0.000 2.048 81 c CB -0.051 42.453 42.510 -0.010 0.000 2.713 81 c HN 0.807 nan 8.230 nan 0.000 0.624 82 A N 2.853 125.638 122.820 -0.059 0.000 2.366 82 A HA 0.540 4.860 4.320 -0.001 0.000 0.249 82 A C -0.089 177.446 177.584 -0.081 0.000 1.084 82 A CA -0.283 51.712 52.037 -0.070 0.000 0.794 82 A CB 0.063 19.047 19.000 -0.027 0.000 1.034 82 A HN 0.779 nan 8.150 nan 0.000 0.491 83 I N 2.162 122.673 120.570 -0.098 0.000 2.416 83 I HA 0.064 4.234 4.170 -0.001 0.000 0.288 83 I C -0.016 176.097 176.117 -0.006 0.000 1.051 83 I CA -0.353 60.912 61.300 -0.059 0.000 1.375 83 I CB 0.402 38.371 38.000 -0.051 0.000 1.407 83 I HN 0.542 nan 8.210 nan 0.000 0.516 84 N N 7.723 126.432 118.700 0.015 0.000 2.503 84 N HA 0.249 4.989 4.740 -0.001 0.000 0.267 84 N C -2.460 173.066 175.510 0.025 0.000 1.214 84 N CA -1.778 51.285 53.050 0.022 0.000 0.959 84 N CB -0.005 38.498 38.487 0.027 0.000 1.142 84 N HN 0.244 nan 8.380 nan 0.000 0.455 85 P HA -0.007 nan 4.420 nan 0.000 0.261 85 P C 0.840 178.158 177.300 0.030 0.000 1.173 85 P CA 1.094 64.207 63.100 0.022 0.000 0.760 85 P CB 0.197 31.918 31.700 0.036 0.000 0.783 86 G N 2.045 110.860 108.800 0.025 0.000 2.253 86 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.251 86 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.251 86 G C 0.074 174.999 174.900 0.041 0.000 0.998 86 G CA -0.167 44.953 45.100 0.034 0.000 0.621 86 G HN 0.554 nan 8.290 nan 0.000 0.524 87 E N 0.648 120.877 120.200 0.048 0.000 2.283 87 E HA 0.559 4.909 4.350 -0.001 0.000 0.271 87 E C -0.417 176.228 176.600 0.075 0.000 1.031 87 E CA -0.167 56.272 56.400 0.064 0.000 0.868 87 E CB 1.080 30.825 29.700 0.074 0.000 1.094 87 E HN 0.141 nan 8.360 nan 0.000 0.401 88 T N 1.933 116.534 114.554 0.079 0.000 2.824 88 T HA 0.440 4.789 4.350 -0.001 0.000 0.280 88 T C -1.101 173.662 174.700 0.106 0.000 0.995 88 T CA -0.482 61.648 62.100 0.049 0.000 1.009 88 T CB 0.414 69.270 68.868 -0.021 0.000 0.955 88 T HN 0.275 nan 8.240 nan 0.000 0.452 89 F N 2.426 122.309 119.950 -0.112 0.000 2.563 89 F HA 0.713 5.239 4.527 -0.001 0.000 0.316 89 F C -1.789 173.884 175.800 -0.213 0.000 1.076 89 F CA -1.599 56.339 58.000 -0.102 0.000 0.921 89 F CB 1.243 40.157 39.000 -0.142 0.000 1.209 89 F HN 0.457 nan 8.300 nan 0.000 0.462 90 F N 4.612 124.220 119.950 -0.570 0.000 2.427 90 F HA 0.413 4.940 4.527 -0.001 0.000 0.346 90 F C -1.136 174.526 175.800 -0.230 0.000 1.120 90 F CA -0.633 57.199 58.000 -0.280 0.000 1.033 90 F CB 1.002 39.866 39.000 -0.226 0.000 1.126 90 F HN 0.266 nan 8.300 nan 0.000 0.462 91 Y N 2.915 123.408 120.300 0.321 0.000 2.342 91 Y HA 0.410 4.959 4.550 -0.001 0.000 0.338 91 Y C -0.267 175.748 175.900 0.191 0.000 0.965 91 Y CA -0.831 57.527 58.100 0.429 0.000 1.159 91 Y CB 0.881 39.648 38.460 0.512 0.000 1.157 91 Y HN 0.429 nan 8.280 nan 0.000 0.486 92 N N 5.185 124.110 118.700 0.375 0.000 2.346 92 N HA 0.537 5.276 4.740 -0.001 0.000 0.289 92 N C -1.282 174.273 175.510 0.074 0.000 1.027 92 N CA -0.598 52.508 53.050 0.093 0.000 0.864 92 N CB 1.886 40.487 38.487 0.191 0.000 1.370 92 N HN 0.523 nan 8.380 nan 0.000 0.481 93 F N -2.017 117.839 119.950 -0.157 0.000 2.713 93 F HA 0.632 5.159 4.527 -0.001 0.000 0.311 93 F C -0.613 175.080 175.800 -0.179 0.000 1.141 93 F CA -0.956 56.917 58.000 -0.212 0.000 0.939 93 F CB 1.004 39.819 39.000 -0.308 0.000 1.325 93 F HN 0.001 nan 8.300 nan 0.000 0.453 94 T N 1.939 116.542 114.554 0.082 0.000 2.867 94 T HA 0.576 4.925 4.350 -0.001 0.000 0.282 94 T C -0.552 174.187 174.700 0.065 0.000 1.000 94 T CA -0.660 61.441 62.100 0.002 0.000 1.042 94 T CB 1.483 70.342 68.868 -0.015 0.000 0.973 94 T HN 0.802 nan 8.240 nan 0.000 0.465 95 V N 1.125 121.047 119.914 0.013 0.000 2.348 95 V HA 0.415 4.534 4.120 -0.001 0.000 0.270 95 V C 0.242 176.312 176.094 -0.041 0.000 1.037 95 V CA -0.536 61.757 62.300 -0.013 0.000 0.872 95 V CB 1.021 32.851 31.823 0.012 0.000 1.002 95 V HN 0.707 nan 8.190 nan 0.000 0.464 96 D N 3.191 123.542 120.400 -0.082 0.000 2.183 96 D HA -0.004 4.636 4.640 -0.001 0.000 0.205 96 D C 0.628 176.916 176.300 -0.020 0.000 0.962 96 D CA 1.407 55.374 54.000 -0.055 0.000 0.849 96 D CB 0.286 41.037 40.800 -0.082 0.000 0.978 96 D HN 0.850 nan 8.370 nan 0.000 0.488 97 N N 0.606 119.301 118.700 -0.009 0.000 2.235 97 N HA 0.244 4.983 4.740 -0.001 0.000 0.293 97 N C -3.109 172.500 175.510 0.165 0.000 1.083 97 N CA -1.465 51.622 53.050 0.061 0.000 0.801 97 N CB 2.572 41.086 38.487 0.045 0.000 1.559 97 N HN -0.220 nan 8.380 nan 0.000 0.472 98 P HA 0.279 nan 4.420 nan 0.000 0.268 98 P C 0.361 177.703 177.300 0.070 0.000 1.208 98 P CA 0.713 63.899 63.100 0.144 0.000 0.777 98 P CB 0.519 32.283 31.700 0.107 0.000 0.875 99 G N 0.219 108.988 108.800 -0.051 0.000 2.368 99 G HA2 0.166 4.125 3.960 -0.001 0.000 0.302 99 G HA3 0.166 4.125 3.960 -0.001 0.000 0.302 99 G C -1.447 173.067 174.900 -0.643 0.000 1.329 99 G CA -0.728 44.112 45.100 -0.434 0.000 0.935 99 G HN 0.475 nan 8.290 nan 0.000 0.590 100 T N 1.392 115.490 114.554 -0.759 0.000 2.738 100 T HA 0.667 5.016 4.350 -0.001 0.000 0.298 100 T C -0.699 173.561 174.700 -0.733 0.000 0.962 100 T CA 0.239 62.030 62.100 -0.515 0.000 0.972 100 T CB 0.117 68.808 68.868 -0.295 0.000 0.928 100 T HN 0.409 nan 8.240 nan 0.000 0.474 101 F N 2.194 122.188 119.950 0.072 0.000 2.679 101 F HA 0.857 5.384 4.527 -0.001 0.000 0.341 101 F C -0.289 175.633 175.800 0.203 0.000 1.095 101 F CA -1.664 56.378 58.000 0.070 0.000 1.004 101 F CB 1.325 40.321 39.000 -0.007 0.000 1.388 101 F HN 0.577 nan 8.300 nan 0.000 0.505 102 F N -1.079 119.015 119.950 0.240 0.000 2.817 102 F HA 0.714 5.240 4.527 -0.001 0.000 0.317 102 F C -1.836 174.070 175.800 0.177 0.000 1.168 102 F CA -2.032 56.033 58.000 0.109 0.000 0.911 102 F CB 1.100 40.053 39.000 -0.078 0.000 1.337 102 F HN 0.463 nan 8.300 nan 0.000 0.464 103 Y N -0.514 119.942 120.300 0.259 0.000 2.576 103 Y HA 0.917 5.466 4.550 -0.001 0.000 0.346 103 Y C -0.991 174.997 175.900 0.148 0.000 1.018 103 Y CA -1.250 56.828 58.100 -0.037 0.000 1.050 103 Y CB 1.604 40.002 38.460 -0.104 0.000 1.280 103 Y HN 1.031 nan 8.280 nan 0.000 0.474 104 H N -1.214 117.937 119.070 0.135 0.000 3.003 104 H HA 0.638 5.193 4.556 -0.001 0.000 0.327 104 H C -0.491 174.911 175.328 0.123 0.000 1.353 104 H CA -1.199 54.953 56.048 0.174 0.000 1.142 104 H CB 0.857 30.777 29.762 0.262 0.000 1.864 104 H HN 1.094 nan 8.280 nan 0.000 0.529 105 G N -0.106 108.870 108.800 0.294 0.000 2.432 105 G HA2 0.271 4.230 3.960 -0.001 0.000 0.239 105 G HA3 0.271 4.230 3.960 -0.001 0.000 0.239 105 G C -0.354 174.707 174.900 0.268 0.000 1.291 105 G CA -0.103 45.108 45.100 0.186 0.000 0.863 105 G HN 0.856 nan 8.290 nan 0.000 0.560 106 H N 1.931 121.058 119.070 0.094 0.000 2.907 106 H HA 0.262 4.817 4.556 -0.001 0.000 0.233 106 H C -1.176 174.156 175.328 0.006 0.000 1.285 106 H CA -0.383 55.708 56.048 0.072 0.000 0.981 106 H CB 0.614 30.412 29.762 0.060 0.000 2.255 106 H HN 0.327 nan 8.280 nan 0.000 0.601 107 L N 0.041 121.322 121.223 0.096 0.000 2.436 107 L HA 0.569 4.909 4.340 -0.001 0.000 0.268 107 L C 0.815 177.695 176.870 0.016 0.000 0.974 107 L CA 0.787 55.660 54.840 0.055 0.000 0.826 107 L CB 1.450 43.536 42.059 0.046 0.000 1.291 107 L HN 0.456 nan 8.230 nan 0.000 0.406 108 G N 4.780 113.586 108.800 0.009 0.000 2.634 108 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.309 108 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.309 108 G C 0.441 175.325 174.900 -0.026 0.000 1.265 108 G CA 0.608 45.717 45.100 0.015 0.000 0.998 108 G HN 0.681 nan 8.290 nan 0.000 0.551 109 M N 0.917 120.473 119.600 -0.073 0.000 2.869 109 M HA 0.209 4.689 4.480 -0.001 0.000 0.338 109 M C 1.857 178.088 176.300 -0.116 0.000 1.227 109 M CA 0.013 55.229 55.300 -0.140 0.000 0.946 109 M CB 0.800 33.254 32.600 -0.244 0.000 1.299 109 M HN 0.604 nan 8.290 nan 0.000 0.518 110 Q N 0.841 120.609 119.800 -0.053 0.000 2.226 110 Q HA -0.160 4.180 4.340 -0.001 0.000 0.204 110 Q C 2.099 178.120 176.000 0.035 0.000 0.975 110 Q CA 1.275 57.073 55.803 -0.007 0.000 0.866 110 Q CB -0.003 28.742 28.738 0.012 0.000 0.915 110 Q HN 0.628 nan 8.270 nan 0.000 0.440 111 R N -0.386 120.147 120.500 0.055 0.000 2.115 111 R HA 0.004 4.343 4.340 -0.001 0.000 0.226 111 R C 1.919 178.360 176.300 0.235 0.000 1.100 111 R CA 1.542 57.742 56.100 0.166 0.000 0.980 111 R CB -0.313 30.077 30.300 0.151 0.000 0.875 111 R HN -0.068 nan 8.270 nan 0.000 0.445 112 S N 1.246 117.015 115.700 0.114 0.000 2.442 112 S HA -0.018 4.451 4.470 -0.001 0.000 0.236 112 S C 1.905 176.642 174.600 0.230 0.000 1.007 112 S CA 0.970 59.266 58.200 0.161 0.000 0.965 112 S CB 0.030 63.182 63.200 -0.080 0.000 0.773 112 S HN 0.576 nan 8.310 nan 0.000 0.504 113 A N 0.493 123.402 122.820 0.149 0.000 2.235 113 A HA 0.487 4.806 4.320 -0.001 0.000 0.208 113 A C 1.661 179.364 177.584 0.199 0.000 1.172 113 A CA 0.792 52.940 52.037 0.185 0.000 0.786 113 A CB -0.612 18.485 19.000 0.163 0.000 0.804 113 A HN 0.836 nan 8.150 nan 0.000 0.479 114 G N -1.948 106.949 108.800 0.162 0.000 2.184 114 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.206 114 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.206 114 G C 0.034 174.658 174.900 -0.459 0.000 0.995 114 G CA 0.022 45.083 45.100 -0.064 0.000 0.651 114 G HN 0.880 nan 8.290 nan 0.000 0.511 115 L N 2.640 123.728 121.223 -0.225 0.000 2.401 115 L HA 0.688 5.027 4.340 -0.001 0.000 0.283 115 L C -0.185 176.640 176.870 -0.075 0.000 1.151 115 L CA -1.304 53.438 54.840 -0.165 0.000 0.942 115 L CB -1.227 40.810 42.059 -0.037 0.000 1.283 115 L HN 0.508 nan 8.230 nan 0.000 0.442 116 Y N 1.615 121.878 120.300 -0.061 0.000 2.702 116 Y HA 0.893 5.442 4.550 -0.001 0.000 0.336 116 Y C -0.199 175.350 175.900 -0.585 0.000 1.203 116 Y CA -1.094 56.854 58.100 -0.253 0.000 1.072 116 Y CB 0.538 38.932 38.460 -0.110 0.000 1.327 116 Y HN 0.466 nan 8.280 nan 0.000 0.456 117 G N -0.074 108.263 108.800 -0.773 0.000 2.428 117 G HA2 0.522 4.481 3.960 -0.001 0.000 0.304 117 G HA3 0.522 4.481 3.960 -0.001 0.000 0.304 117 G C -1.844 172.798 174.900 -0.431 0.000 1.303 117 G CA -0.916 43.829 45.100 -0.591 0.000 0.825 117 G HN 0.727 nan 8.290 nan 0.000 0.484 118 S N -0.679 114.988 115.700 -0.055 0.000 2.554 118 S HA 0.665 5.134 4.470 -0.001 0.000 0.278 118 S C -0.443 174.355 174.600 0.330 0.000 1.242 118 S CA -0.431 57.844 58.200 0.125 0.000 1.051 118 S CB 1.451 64.687 63.200 0.060 0.000 0.986 118 S HN 0.631 nan 8.310 nan 0.000 0.502 119 L N 3.806 125.241 121.223 0.353 0.000 2.377 119 L HA 0.584 4.923 4.340 -0.001 0.000 0.270 119 L C -1.627 175.427 176.870 0.306 0.000 0.991 119 L CA -0.426 54.637 54.840 0.372 0.000 0.851 119 L CB 0.467 42.798 42.059 0.453 0.000 1.218 119 L HN 0.631 nan 8.230 nan 0.000 0.420 120 I N 5.075 125.779 120.570 0.223 0.000 2.378 120 I HA 0.385 4.554 4.170 -0.001 0.000 0.291 120 I C -0.622 175.609 176.117 0.189 0.000 0.992 120 I CA -0.802 60.599 61.300 0.168 0.000 1.154 120 I CB 2.076 40.133 38.000 0.095 0.000 1.315 120 I HN 0.198 nan 8.210 nan 0.000 0.448 121 V N 5.450 125.498 119.914 0.223 0.000 2.357 121 V HA 0.298 4.418 4.120 -0.001 0.000 0.284 121 V C -0.155 176.022 176.094 0.139 0.000 1.018 121 V CA -0.755 61.666 62.300 0.203 0.000 0.841 121 V CB 1.441 33.440 31.823 0.293 0.000 0.991 121 V HN 0.595 nan 8.190 nan 0.000 0.437 122 D N 6.110 126.575 120.400 0.109 0.000 2.354 122 D HA 0.314 4.953 4.640 -0.001 0.000 0.247 122 D C -2.236 174.112 176.300 0.081 0.000 1.138 122 D CA -1.132 52.923 54.000 0.091 0.000 0.958 122 D CB 1.376 42.223 40.800 0.079 0.000 1.144 122 D HN 0.278 nan 8.370 nan 0.000 0.458 123 P HA -0.009 nan 4.420 nan 0.000 0.269 123 P C -2.534 174.790 177.300 0.041 0.000 1.200 123 P CA -0.640 62.494 63.100 0.056 0.000 0.779 123 P CB -0.742 30.978 31.700 0.033 0.000 0.841 124 P HA -0.031 nan 4.420 nan 0.000 0.264 124 P C -0.370 176.939 177.300 0.014 0.000 1.179 124 P CA 0.609 63.722 63.100 0.022 0.000 0.763 124 P CB -0.003 31.708 31.700 0.018 0.000 0.806 125 Q N 2.045 121.852 119.800 0.011 0.000 2.242 125 Q HA 0.332 4.671 4.340 -0.001 0.000 0.284 125 Q C 1.487 177.488 176.000 0.001 0.000 1.130 125 Q CA 1.553 57.360 55.803 0.007 0.000 0.940 125 Q CB -0.831 27.910 28.738 0.004 0.000 1.146 125 Q HN 0.782 nan 8.270 nan 0.000 0.388 126 G N 1.903 110.703 108.800 -0.001 0.000 2.259 126 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 126 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 126 G C 0.173 175.065 174.900 -0.012 0.000 1.001 126 G CA -0.397 44.699 45.100 -0.007 0.000 0.627 126 G HN 0.428 nan 8.290 nan 0.000 0.501 127 K N 0.657 121.050 120.400 -0.011 0.000 2.090 127 K HA 0.584 4.903 4.320 -0.001 0.000 0.250 127 K C 0.089 176.669 176.600 -0.034 0.000 1.004 127 K CA -0.360 55.914 56.287 -0.020 0.000 0.919 127 K CB 0.773 33.266 32.500 -0.012 0.000 1.045 127 K HN 0.057 nan 8.250 nan 0.000 0.471 128 K N 1.530 121.896 120.400 -0.058 0.000 2.238 128 K HA 0.241 4.561 4.320 -0.001 0.000 0.239 128 K C -0.369 176.148 176.600 -0.138 0.000 0.987 128 K CA -0.828 55.404 56.287 -0.091 0.000 0.857 128 K CB 1.355 33.797 32.500 -0.097 0.000 1.154 128 K HN 0.478 nan 8.250 nan 0.000 0.439 129 E N 2.420 122.495 120.200 -0.209 0.000 2.383 129 E HA 0.063 4.413 4.350 -0.001 0.000 0.264 129 E C -1.657 174.642 176.600 -0.502 0.000 1.050 129 E CA -1.569 54.607 56.400 -0.374 0.000 0.896 129 E CB 0.503 29.899 29.700 -0.506 0.000 0.982 129 E HN 0.298 nan 8.360 nan 0.000 0.424 130 P HA -0.068 nan 4.420 nan 0.000 0.249 130 P C -0.594 176.558 177.300 -0.247 0.000 1.227 130 P CA 0.802 63.637 63.100 -0.441 0.000 0.753 130 P CB -0.345 31.067 31.700 -0.480 0.000 0.966 131 F N -3.057 116.893 119.950 -0.000 0.000 2.713 131 F HA 0.626 5.152 4.527 -0.001 0.000 0.311 131 F C -0.685 175.146 175.800 0.052 0.000 1.141 131 F CA -1.894 56.138 58.000 0.053 0.000 0.939 131 F CB 0.573 39.633 39.000 0.099 0.000 1.325 131 F HN -0.299 nan 8.300 nan 0.000 0.453 132 H N 0.329 119.511 119.070 0.187 0.000 2.524 132 H HA 0.734 5.289 4.556 -0.001 0.000 0.353 132 H C -1.631 173.758 175.328 0.101 0.000 1.136 132 H CA -1.026 55.008 56.048 -0.023 0.000 1.193 132 H CB 1.480 31.217 29.762 -0.041 0.000 1.558 132 H HN 0.663 nan 8.280 nan 0.000 0.515 133 Y N 0.699 120.662 120.300 -0.561 0.000 2.592 133 Y HA 0.305 4.854 4.550 -0.001 0.000 0.334 133 Y C -0.519 175.007 175.900 -0.624 0.000 1.136 133 Y CA -1.095 56.736 58.100 -0.449 0.000 1.042 133 Y CB 0.864 39.234 38.460 -0.151 0.000 1.325 133 Y HN 0.460 nan 8.280 nan 0.000 0.457 134 D N 0.872 121.065 120.400 -0.345 0.000 2.367 134 D HA 0.331 4.970 4.640 -0.001 0.000 0.207 134 D C 0.547 176.758 176.300 -0.148 0.000 1.034 134 D CA 1.064 54.885 54.000 -0.299 0.000 0.861 134 D CB 1.194 41.813 40.800 -0.302 0.000 0.943 134 D HN 0.874 nan 8.370 nan 0.000 0.515 135 G N 0.534 109.306 108.800 -0.046 0.000 2.600 135 G HA2 0.491 4.450 3.960 -0.001 0.000 0.293 135 G HA3 0.491 4.450 3.960 -0.001 0.000 0.293 135 G C -1.769 173.303 174.900 0.286 0.000 1.408 135 G CA -0.785 44.432 45.100 0.195 0.000 0.782 135 G HN 0.069 nan 8.290 nan 0.000 0.482 136 E N -1.455 118.872 120.200 0.212 0.000 2.390 136 E HA 0.742 5.091 4.350 -0.001 0.000 0.277 136 E C -1.625 174.962 176.600 -0.021 0.000 0.939 136 E CA -0.975 55.438 56.400 0.022 0.000 0.769 136 E CB 2.520 32.185 29.700 -0.058 0.000 1.251 136 E HN 0.441 nan 8.360 nan 0.000 0.450 137 I N 1.576 122.051 120.570 -0.157 0.000 2.582 137 I HA 0.357 4.526 4.170 -0.001 0.000 0.292 137 I C -0.873 175.076 176.117 -0.279 0.000 1.066 137 I CA -0.849 60.289 61.300 -0.271 0.000 1.053 137 I CB 2.178 39.829 38.000 -0.582 0.000 1.241 137 I HN 0.566 nan 8.210 nan 0.000 0.421 138 N N 6.126 124.683 118.700 -0.238 0.000 2.407 138 N HA 0.498 5.237 4.740 -0.001 0.000 0.277 138 N C -1.950 173.386 175.510 -0.291 0.000 0.995 138 N CA -0.493 52.424 53.050 -0.221 0.000 0.903 138 N CB 2.002 40.412 38.487 -0.128 0.000 1.218 138 N HN 0.382 nan 8.380 nan 0.000 0.487 139 L N 4.271 125.338 121.223 -0.259 0.000 2.356 139 L HA 0.581 4.920 4.340 -0.001 0.000 0.277 139 L C -1.683 175.049 176.870 -0.230 0.000 0.996 139 L CA -0.749 53.964 54.840 -0.213 0.000 0.822 139 L CB 1.549 43.558 42.059 -0.085 0.000 1.256 139 L HN 0.495 nan 8.230 nan 0.000 0.413 140 L N 5.645 126.721 121.223 -0.244 0.000 2.333 140 L HA 0.659 4.998 4.340 -0.001 0.000 0.280 140 L C -1.511 175.190 176.870 -0.281 0.000 1.004 140 L CA -0.187 54.473 54.840 -0.300 0.000 0.820 140 L CB 1.588 43.465 42.059 -0.303 0.000 1.247 140 L HN 0.594 nan 8.230 nan 0.000 0.416 141 L N 4.744 125.775 121.223 -0.320 0.000 2.325 141 L HA 0.855 5.194 4.340 -0.001 0.000 0.278 141 L C 0.023 176.699 176.870 -0.323 0.000 1.023 141 L CA -0.233 54.457 54.840 -0.249 0.000 0.811 141 L CB 1.787 43.729 42.059 -0.196 0.000 1.249 141 L HN 0.865 nan 8.230 nan 0.000 0.431 142 S N -0.019 115.544 115.700 -0.228 0.000 2.727 142 S HA 0.766 5.236 4.470 -0.001 0.000 0.278 142 S C -1.907 172.661 174.600 -0.054 0.000 1.186 142 S CA -0.975 57.087 58.200 -0.230 0.000 0.836 142 S CB 2.283 65.227 63.200 -0.427 0.000 1.186 142 S HN 0.606 nan 8.310 nan 0.000 0.499 143 D N -0.777 119.649 120.400 0.044 0.000 2.552 143 D HA 0.565 5.204 4.640 -0.001 0.000 0.239 143 D C -1.512 174.923 176.300 0.226 0.000 1.139 143 D CA -0.485 53.524 54.000 0.015 0.000 0.914 143 D CB 1.060 41.742 40.800 -0.198 0.000 1.461 143 D HN 0.745 nan 8.370 nan 0.000 0.462 144 W N 1.169 122.337 121.300 -0.220 0.000 3.259 144 W HA 0.415 5.074 4.660 -0.001 0.000 0.331 144 W C -1.982 174.416 176.519 -0.203 0.000 1.144 144 W CA -0.803 56.530 57.345 -0.020 0.000 1.227 144 W CB 1.364 30.852 29.460 0.047 0.000 1.371 144 W HN 0.376 nan 8.180 nan 0.000 0.491 145 W N 3.969 124.807 121.300 -0.769 0.000 2.647 145 W HA 0.280 4.940 4.660 -0.001 0.000 0.353 145 W C 0.721 176.790 176.519 -0.751 0.000 1.080 145 W CA -0.473 56.480 57.345 -0.654 0.000 1.208 145 W CB 1.339 30.508 29.460 -0.485 0.000 1.396 145 W HN 0.552 nan 8.180 nan 0.000 0.573 146 H N -0.136 118.740 119.070 -0.323 0.000 2.575 146 H HA 0.018 4.573 4.556 -0.001 0.000 0.267 146 H C 0.624 175.819 175.328 -0.220 0.000 0.966 146 H CA 0.031 55.889 56.048 -0.317 0.000 1.165 146 H CB 1.339 30.939 29.762 -0.270 0.000 1.433 146 H HN 0.235 nan 8.280 nan 0.000 0.544 147 Q N 1.434 121.190 119.800 -0.073 0.000 2.259 147 Q HA 0.175 4.514 4.340 -0.001 0.000 0.246 147 Q C -0.393 175.504 176.000 -0.171 0.000 0.920 147 Q CA -0.589 55.152 55.803 -0.103 0.000 0.895 147 Q CB 1.069 29.742 28.738 -0.107 0.000 1.220 147 Q HN 0.117 nan 8.270 nan 0.000 0.439 148 S N 3.683 119.304 115.700 -0.132 0.000 2.558 148 S HA -0.015 4.454 4.470 -0.001 0.000 0.288 148 S C 1.433 175.924 174.600 -0.182 0.000 1.318 148 S CA -0.553 57.574 58.200 -0.121 0.000 1.056 148 S CB 0.333 63.502 63.200 -0.052 0.000 0.853 148 S HN 0.561 nan 8.310 nan 0.000 0.505 149 I N 2.313 122.756 120.570 -0.210 0.000 2.264 149 I HA -0.171 3.999 4.170 -0.001 0.000 0.248 149 I C 1.795 177.677 176.117 -0.391 0.000 1.111 149 I CA 1.848 62.936 61.300 -0.353 0.000 1.382 149 I CB -1.501 36.265 38.000 -0.391 0.000 1.060 149 I HN 0.707 nan 8.210 nan 0.000 0.418 150 H N -0.008 118.979 119.070 -0.138 0.000 2.502 150 H HA -0.032 4.523 4.556 -0.001 0.000 0.283 150 H C 2.206 177.469 175.328 -0.109 0.000 1.015 150 H CA 0.901 56.886 56.048 -0.105 0.000 1.298 150 H CB -0.009 29.703 29.762 -0.083 0.000 1.411 150 H HN 0.247 nan 8.280 nan 0.000 0.556 151 K N 0.621 121.001 120.400 -0.033 0.000 2.186 151 K HA -0.068 4.251 4.320 -0.001 0.000 0.202 151 K C 1.732 178.256 176.600 -0.125 0.000 1.052 151 K CA 0.630 56.881 56.287 -0.061 0.000 0.965 151 K CB 0.314 32.776 32.500 -0.063 0.000 0.746 151 K HN 0.313 nan 8.250 nan 0.000 0.457 152 Q N 0.459 120.131 119.800 -0.212 0.000 2.016 152 Q HA -0.181 4.158 4.340 -0.001 0.000 0.200 152 Q C 1.897 177.715 176.000 -0.303 0.000 0.978 152 Q CA 1.543 57.161 55.803 -0.309 0.000 0.833 152 Q CB -0.031 28.431 28.738 -0.460 0.000 0.895 152 Q HN 0.378 nan 8.270 nan 0.000 0.427 153 E N 0.047 120.064 120.200 -0.306 0.000 2.070 153 E HA -0.196 4.153 4.350 -0.001 0.000 0.197 153 E C 2.097 178.629 176.600 -0.114 0.000 1.004 153 E CA 1.466 57.689 56.400 -0.294 0.000 0.805 153 E CB 0.035 29.632 29.700 -0.172 0.000 0.744 153 E HN 0.123 nan 8.360 nan 0.000 0.451 154 V N 0.453 120.337 119.914 -0.050 0.000 2.343 154 V HA -0.198 3.921 4.120 -0.001 0.000 0.247 154 V C 2.328 178.426 176.094 0.007 0.000 1.051 154 V CA 1.896 64.200 62.300 0.007 0.000 1.036 154 V CB -0.912 30.918 31.823 0.011 0.000 0.654 154 V HN 0.424 nan 8.190 nan 0.000 0.451 155 G N -0.185 108.593 108.800 -0.037 0.000 2.442 155 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 155 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 155 G C 1.495 176.412 174.900 0.028 0.000 1.141 155 G CA 0.833 45.923 45.100 -0.015 0.000 0.763 155 G HN 0.499 nan 8.290 nan 0.000 0.554 156 L N 0.848 122.065 121.223 -0.011 0.000 2.552 156 L HA 0.088 4.427 4.340 -0.001 0.000 0.227 156 L C 2.162 179.154 176.870 0.203 0.000 1.146 156 L CA 0.426 55.313 54.840 0.078 0.000 0.858 156 L CB 0.228 42.248 42.059 -0.065 0.000 0.969 156 L HN 0.148 nan 8.230 nan 0.000 0.451 157 S N -1.706 114.103 115.700 0.183 0.000 2.540 157 S HA 0.126 4.595 4.470 -0.001 0.000 0.218 157 S C 0.872 175.605 174.600 0.222 0.000 0.977 157 S CA -0.276 58.033 58.200 0.182 0.000 0.918 157 S CB 0.461 63.742 63.200 0.134 0.000 0.806 157 S HN 0.184 nan 8.310 nan 0.000 0.496 158 S N 1.956 117.785 115.700 0.216 0.000 2.632 158 S HA 0.395 4.864 4.470 -0.001 0.000 0.267 158 S C -0.063 174.672 174.600 0.225 0.000 1.276 158 S CA -0.521 57.809 58.200 0.216 0.000 0.998 158 S CB 0.999 64.268 63.200 0.116 0.000 0.953 158 S HN 0.298 nan 8.310 nan 0.000 0.547 159 K N 2.509 122.965 120.400 0.092 0.000 2.483 159 K HA 0.367 4.686 4.320 -0.001 0.000 0.256 159 K C -2.562 174.002 176.600 -0.060 0.000 0.961 159 K CA -1.571 54.637 56.287 -0.133 0.000 0.873 159 K CB 0.688 32.894 32.500 -0.489 0.000 1.107 159 K HN 0.395 nan 8.250 nan 0.000 0.432 160 P HA 0.129 nan 4.420 nan 0.000 0.279 160 P C -0.067 177.256 177.300 0.039 0.000 1.239 160 P CA -0.496 62.594 63.100 -0.017 0.000 0.789 160 P CB 0.850 32.543 31.700 -0.012 0.000 0.933 161 I N 2.948 123.558 120.570 0.067 0.000 2.845 161 I HA -0.072 4.097 4.170 -0.001 0.000 0.296 161 I C 0.561 176.751 176.117 0.123 0.000 1.216 161 I CA 0.150 61.523 61.300 0.121 0.000 1.438 161 I CB 0.282 38.374 38.000 0.154 0.000 1.342 161 I HN 0.290 nan 8.210 nan 0.000 0.577 162 R N 8.101 128.672 120.500 0.120 0.000 2.275 162 R HA 0.175 4.514 4.340 -0.001 0.000 0.326 162 R C -0.672 175.715 176.300 0.144 0.000 0.973 162 R CA -0.593 55.572 56.100 0.108 0.000 0.854 162 R CB 0.938 31.265 30.300 0.046 0.000 1.156 162 R HN 0.675 nan 8.270 nan 0.000 0.487 163 W N 5.807 127.116 121.300 0.015 0.000 2.170 163 W HA 0.027 4.686 4.660 -0.001 0.000 0.336 163 W C 1.051 177.566 176.519 -0.006 0.000 1.283 163 W CA -0.522 56.835 57.345 0.020 0.000 1.224 163 W CB 0.627 30.120 29.460 0.056 0.000 1.132 163 W HN 0.708 nan 8.180 nan 0.000 0.571 164 I N 3.237 123.218 120.570 -0.983 0.000 2.614 164 I HA 0.163 4.332 4.170 -0.001 0.000 0.258 164 I C 0.976 176.755 176.117 -0.564 0.000 1.189 164 I CA 1.190 61.978 61.300 -0.853 0.000 1.462 164 I CB -0.822 36.499 38.000 -1.132 0.000 1.092 164 I HN 0.596 nan 8.210 nan 0.000 0.442 165 G N 1.509 109.861 108.800 -0.747 0.000 2.796 165 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.571 165 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.571 165 G C -0.648 174.378 174.900 0.210 0.000 1.370 165 G CA -0.568 44.525 45.100 -0.012 0.000 0.856 165 G HN 0.367 nan 8.290 nan 0.000 0.538 166 E N 1.466 121.765 120.200 0.165 0.000 2.392 166 E HA 0.315 4.664 4.350 -0.001 0.000 0.264 166 E C -1.556 174.879 176.600 -0.275 0.000 1.024 166 E CA -1.072 55.342 56.400 0.023 0.000 0.903 166 E CB 0.579 30.251 29.700 -0.047 0.000 0.963 166 E HN 0.412 nan 8.360 nan 0.000 0.432 167 P HA 0.020 nan 4.420 nan 0.000 0.269 167 P C 0.118 176.995 177.300 -0.703 0.000 1.215 167 P CA 0.031 62.304 63.100 -1.378 0.000 0.780 167 P CB 0.818 31.680 31.700 -1.398 0.000 0.898 168 Q N -0.046 119.350 119.800 -0.674 0.000 2.163 168 Q HA 0.072 4.411 4.340 -0.001 0.000 0.198 168 Q C 0.251 176.176 176.000 -0.124 0.000 0.954 168 Q CA 1.582 57.171 55.803 -0.356 0.000 0.851 168 Q CB -0.049 28.264 28.738 -0.707 0.000 0.928 168 Q HN 0.527 nan 8.270 nan 0.000 0.459 169 T N -0.134 114.344 114.554 -0.126 0.000 2.933 169 T HA 0.449 4.798 4.350 -0.001 0.000 0.305 169 T C -0.857 173.834 174.700 -0.014 0.000 1.092 169 T CA -0.687 61.432 62.100 0.031 0.000 1.008 169 T CB 1.571 70.560 68.868 0.201 0.000 1.102 169 T HN -0.114 nan 8.240 nan 0.000 0.469 170 I N 3.272 123.825 120.570 -0.027 0.000 2.331 170 I HA 0.393 4.562 4.170 -0.001 0.000 0.292 170 I C -0.146 175.973 176.117 0.004 0.000 0.998 170 I CA -0.693 60.580 61.300 -0.044 0.000 1.267 170 I CB 0.901 38.859 38.000 -0.071 0.000 1.386 170 I HN 0.489 nan 8.210 nan 0.000 0.476 171 L N 6.594 127.828 121.223 0.018 0.000 2.317 171 L HA 0.482 4.821 4.340 -0.001 0.000 0.281 171 L C -0.838 176.022 176.870 -0.016 0.000 1.024 171 L CA -0.952 53.908 54.840 0.033 0.000 0.810 171 L CB 1.761 43.879 42.059 0.098 0.000 1.240 171 L HN 0.270 nan 8.230 nan 0.000 0.427 172 L N 4.110 125.326 121.223 -0.012 0.000 2.324 172 L HA 0.405 4.744 4.340 -0.001 0.000 0.274 172 L C -0.051 176.786 176.870 -0.055 0.000 1.012 172 L CA -0.153 54.665 54.840 -0.037 0.000 0.859 172 L CB 0.658 42.705 42.059 -0.020 0.000 1.224 172 L HN 0.506 nan 8.230 nan 0.000 0.429 173 N N 3.324 121.949 118.700 -0.124 0.000 2.740 173 N HA -0.206 4.533 4.740 -0.001 0.000 0.248 173 N C 1.146 176.594 175.510 -0.104 0.000 1.062 173 N CA 1.234 54.180 53.050 -0.174 0.000 0.704 173 N CB -0.918 37.382 38.487 -0.313 0.000 0.968 173 N HN 1.043 nan 8.380 nan 0.000 0.547 174 G N -1.545 107.205 108.800 -0.083 0.000 2.179 174 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.260 174 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.260 174 G C 0.160 175.163 174.900 0.171 0.000 0.977 174 G CA 0.869 45.963 45.100 -0.011 0.000 0.641 174 G HN 0.623 nan 8.290 nan 0.000 0.533 175 R N -0.297 120.271 120.500 0.114 0.000 2.778 175 R HA 0.750 5.089 4.340 -0.001 0.000 0.277 175 R C 0.364 176.708 176.300 0.072 0.000 0.977 175 R CA 0.070 56.241 56.100 0.117 0.000 0.950 175 R CB 2.105 32.482 30.300 0.128 0.000 1.165 175 R HN 0.787 nan 8.270 nan 0.000 0.474 176 G N 0.596 109.435 108.800 0.065 0.000 2.576 176 G HA2 0.440 4.399 3.960 -0.001 0.000 0.290 176 G HA3 0.440 4.399 3.960 -0.001 0.000 0.290 176 G C -1.812 173.135 174.900 0.078 0.000 1.442 176 G CA -0.679 44.456 45.100 0.060 0.000 0.792 176 G HN 0.304 nan 8.290 nan 0.000 0.491 177 Q N -0.720 119.130 119.800 0.082 0.000 2.377 177 Q HA 0.757 5.096 4.340 -0.001 0.000 0.271 177 Q C -1.527 174.577 176.000 0.172 0.000 1.077 177 Q CA -0.601 55.264 55.803 0.104 0.000 0.820 177 Q CB 2.927 31.693 28.738 0.047 0.000 1.347 177 Q HN 0.524 nan 8.270 nan 0.000 0.444 178 F N 1.772 121.744 119.950 0.035 0.000 2.540 178 F HA 0.391 4.918 4.527 -0.001 0.000 0.317 178 F C -0.224 175.592 175.800 0.026 0.000 1.104 178 F CA -0.632 57.393 58.000 0.043 0.000 0.913 178 F CB 1.467 40.548 39.000 0.135 0.000 1.170 178 F HN 0.627 nan 8.300 nan 0.000 0.450 179 D N 1.933 121.928 120.400 -0.676 0.000 3.006 179 D HA -0.251 4.389 4.640 -0.001 0.000 0.208 179 D C -0.354 175.812 176.300 -0.225 0.000 1.116 179 D CA 1.728 55.418 54.000 -0.516 0.000 0.998 179 D CB -1.328 39.192 40.800 -0.466 0.000 1.124 179 D HN 0.644 nan 8.370 nan 0.000 0.413 180 c N -2.645 115.870 118.600 -0.140 0.000 3.236 180 c HA 0.877 5.446 4.570 -0.001 0.000 0.312 180 c C -0.166 173.880 174.090 -0.073 0.000 1.374 180 c CA -0.439 55.839 56.329 -0.085 0.000 1.455 180 c CB 2.333 44.816 42.510 -0.044 0.000 1.834 180 c HN 0.227 nan 8.230 nan 0.000 0.460 181 S N -0.308 115.355 115.700 -0.062 0.000 2.541 181 S HA 0.568 5.037 4.470 -0.001 0.000 0.280 181 S C 0.486 175.065 174.600 -0.035 0.000 1.112 181 S CA -0.545 57.616 58.200 -0.065 0.000 0.925 181 S CB 1.152 64.297 63.200 -0.091 0.000 1.067 181 S HN 1.290 nan 8.310 nan 0.000 0.479 182 I N 1.754 122.314 120.570 -0.016 0.000 3.111 182 I HA 0.355 4.524 4.170 -0.001 0.000 0.272 182 I C 1.115 177.292 176.117 0.100 0.000 1.268 182 I CA 0.681 62.017 61.300 0.059 0.000 1.467 182 I CB -0.186 37.891 38.000 0.128 0.000 1.087 182 I HN 0.504 nan 8.210 nan 0.000 0.467 183 A N 1.007 123.799 122.820 -0.047 0.000 2.610 183 A HA 0.724 5.044 4.320 -0.001 0.000 0.286 183 A C 1.966 179.562 177.584 0.019 0.000 1.306 183 A CA 0.315 52.339 52.037 -0.022 0.000 0.942 183 A CB -0.336 18.395 19.000 -0.448 0.000 1.112 183 A HN 0.446 nan 8.150 nan 0.000 0.527 184 A N 0.685 123.483 122.820 -0.037 0.000 2.125 184 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 184 A C 1.985 179.497 177.584 -0.119 0.000 1.156 184 A CA 1.676 53.677 52.037 -0.061 0.000 0.671 184 A CB -0.377 18.587 19.000 -0.060 0.000 0.794 184 A HN 0.587 nan 8.150 nan 0.000 0.459 185 K N -0.939 119.313 120.400 -0.246 0.000 2.113 185 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 185 K C 1.165 177.493 176.600 -0.453 0.000 1.047 185 K CA 1.999 58.035 56.287 -0.419 0.000 0.928 185 K CB -0.344 31.776 32.500 -0.633 0.000 0.716 185 K HN 0.597 nan 8.250 nan 0.000 0.446 186 Y N -0.025 120.262 120.300 -0.021 0.000 2.529 186 Y HA 0.140 4.689 4.550 -0.002 0.000 0.290 186 Y C 0.058 175.933 175.900 -0.042 0.000 1.177 186 Y CA -0.078 58.005 58.100 -0.029 0.000 1.305 186 Y CB 0.348 38.781 38.460 -0.044 0.000 1.047 186 Y HN 0.013 nan 8.280 nan 0.000 0.522 187 D N -1.515 118.902 120.400 0.028 0.000 2.763 187 D HA 0.186 4.825 4.640 -0.001 0.000 0.235 187 D C 0.224 176.508 176.300 -0.026 0.000 1.334 187 D CA -0.142 53.862 54.000 0.007 0.000 0.950 187 D CB 1.689 42.492 40.800 0.006 0.000 1.433 187 D HN -0.125 nan 8.370 nan 0.000 0.580 188 S N 2.277 117.961 115.700 -0.027 0.000 2.442 188 S HA -0.097 4.372 4.470 -0.001 0.000 0.236 188 S C 1.420 175.999 174.600 -0.035 0.000 1.007 188 S CA 0.608 58.788 58.200 -0.033 0.000 0.965 188 S CB -0.180 63.004 63.200 -0.027 0.000 0.773 188 S HN 0.583 nan 8.310 nan 0.000 0.504 189 N N 0.484 119.164 118.700 -0.034 0.000 2.515 189 N HA 0.125 4.864 4.740 -0.001 0.000 0.185 189 N C -0.175 175.304 175.510 -0.050 0.000 1.109 189 N CA 0.201 53.228 53.050 -0.039 0.000 0.903 189 N CB 0.024 38.489 38.487 -0.037 0.000 0.969 189 N HN 0.328 nan 8.380 nan 0.000 0.450 190 L N 0.668 121.860 121.223 -0.053 0.000 2.344 190 L HA 0.335 4.674 4.340 -0.001 0.000 0.272 190 L C -0.015 176.818 176.870 -0.062 0.000 1.035 190 L CA -0.683 54.119 54.840 -0.065 0.000 0.807 190 L CB 1.579 43.600 42.059 -0.064 0.000 1.237 190 L HN -0.069 nan 8.230 nan 0.000 0.442 191 E N 2.609 122.767 120.200 -0.069 0.000 2.197 191 E HA 0.324 4.673 4.350 -0.001 0.000 0.281 191 E C -2.427 174.141 176.600 -0.054 0.000 0.995 191 E CA -1.789 54.575 56.400 -0.060 0.000 0.808 191 E CB 1.323 30.983 29.700 -0.067 0.000 1.093 191 E HN 0.163 nan 8.360 nan 0.000 0.394 192 P HA 0.052 nan 4.420 nan 0.000 0.271 192 P C -0.717 176.567 177.300 -0.026 0.000 1.218 192 P CA -0.392 62.687 63.100 -0.035 0.000 0.780 192 P CB 0.590 32.269 31.700 -0.035 0.000 0.901 193 c N 3.231 121.822 118.600 -0.015 0.000 2.463 193 c HA 0.231 4.800 4.570 -0.001 0.000 0.380 193 c C 0.941 175.028 174.090 -0.005 0.000 1.264 193 c CA -0.242 56.083 56.329 -0.006 0.000 2.161 193 c CB -0.387 42.125 42.510 0.005 0.000 2.515 193 c HN 0.474 nan 8.230 nan 0.000 0.565 194 K N 3.224 123.621 120.400 -0.005 0.000 2.319 194 K HA 0.495 4.815 4.320 -0.001 0.000 0.237 194 K C -0.961 175.636 176.600 -0.004 0.000 1.113 194 K CA 0.194 56.477 56.287 -0.007 0.000 1.072 194 K CB 0.227 32.722 32.500 -0.010 0.000 1.734 194 K HN 0.545 nan 8.250 nan 0.000 0.429 195 L N 1.711 122.933 121.223 -0.001 0.000 2.346 195 L HA 0.366 4.705 4.340 -0.001 0.000 0.274 195 L C 0.837 177.707 176.870 0.001 0.000 1.007 195 L CA -0.661 54.180 54.840 0.001 0.000 0.818 195 L CB 1.887 43.951 42.059 0.009 0.000 1.284 195 L HN 0.343 nan 8.230 nan 0.000 0.424 196 K N 1.165 121.564 120.400 -0.001 0.000 2.352 196 K HA 0.257 4.577 4.320 -0.001 0.000 0.194 196 K C 1.122 177.725 176.600 0.004 0.000 1.038 196 K CA 0.645 56.931 56.287 -0.001 0.000 1.023 196 K CB 0.620 33.118 32.500 -0.003 0.000 0.840 196 K HN 0.982 nan 8.250 nan 0.000 0.519 197 G N 0.944 109.748 108.800 0.008 0.000 2.253 197 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.209 197 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.209 197 G C 1.030 175.941 174.900 0.018 0.000 0.997 197 G CA 0.396 45.504 45.100 0.014 0.000 0.640 197 G HN 0.312 nan 8.290 nan 0.000 0.496 198 S N 0.180 115.886 115.700 0.011 0.000 2.528 198 S HA 0.387 4.856 4.470 -0.001 0.000 0.219 198 S C 0.686 175.290 174.600 0.007 0.000 0.985 198 S CA 0.831 59.038 58.200 0.012 0.000 0.914 198 S CB 0.486 63.689 63.200 0.005 0.000 0.776 198 S HN 0.541 nan 8.310 nan 0.000 0.526 199 E N 2.274 122.471 120.200 -0.004 0.000 2.392 199 E HA 0.297 4.646 4.350 -0.001 0.000 0.256 199 E C 1.256 177.841 176.600 -0.024 0.000 1.145 199 E CA 0.362 56.742 56.400 -0.032 0.000 0.929 199 E CB 0.533 30.212 29.700 -0.035 0.000 0.998 199 E HN 0.328 nan 8.360 nan 0.000 0.442 200 S N -0.249 115.388 115.700 -0.106 0.000 2.399 200 S HA -0.193 4.276 4.470 -0.001 0.000 0.231 200 S C 1.778 176.391 174.600 0.022 0.000 1.022 200 S CA 1.061 59.196 58.200 -0.108 0.000 0.983 200 S CB -0.642 62.236 63.200 -0.536 0.000 0.803 200 S HN 0.731 nan 8.310 nan 0.000 0.480 201 c N 1.307 119.898 118.600 -0.015 0.000 2.754 201 c HA 0.801 5.370 4.570 -0.001 0.000 0.276 201 c C 1.105 175.223 174.090 0.046 0.000 1.264 201 c CA -1.156 55.191 56.329 0.029 0.000 1.700 201 c CB -1.873 40.643 42.510 0.010 0.000 1.885 201 c HN 0.586 nan 8.230 nan 0.000 0.607 202 A N 3.034 125.881 122.820 0.045 0.000 2.401 202 A HA 0.607 4.927 4.320 -0.001 0.000 0.259 202 A C -1.960 175.663 177.584 0.065 0.000 1.103 202 A CA -0.961 51.103 52.037 0.044 0.000 0.789 202 A CB -0.037 18.983 19.000 0.034 0.000 1.035 202 A HN 0.539 nan 8.150 nan 0.000 0.491 203 P HA -0.056 nan 4.420 nan 0.000 0.268 203 P C -0.899 176.454 177.300 0.088 0.000 1.204 203 P CA 0.308 63.444 63.100 0.061 0.000 0.768 203 P CB 0.222 31.938 31.700 0.028 0.000 0.842 204 Y N 4.331 124.624 120.300 -0.011 0.000 2.637 204 Y HA 0.196 4.746 4.550 -0.001 0.000 0.350 204 Y C 0.316 176.189 175.900 -0.045 0.000 1.069 204 Y CA -0.082 58.034 58.100 0.027 0.000 1.397 204 Y CB -0.540 37.973 38.460 0.088 0.000 1.163 204 Y HN 0.222 nan 8.280 nan 0.000 0.527 205 I N 6.634 127.147 120.570 -0.094 0.000 2.519 205 I HA 0.047 4.216 4.170 -0.001 0.000 0.287 205 I C -0.631 175.423 176.117 -0.105 0.000 1.047 205 I CA -0.327 60.854 61.300 -0.200 0.000 1.381 205 I CB 0.402 38.221 38.000 -0.301 0.000 1.417 205 I HN 0.397 nan 8.210 nan 0.000 0.540 206 F N 4.754 124.573 119.950 -0.219 0.000 2.390 206 F HA 0.304 4.830 4.527 -0.001 0.000 0.361 206 F C 0.514 176.124 175.800 -0.318 0.000 1.124 206 F CA -0.714 57.184 58.000 -0.170 0.000 1.149 206 F CB -0.157 38.803 39.000 -0.067 0.000 1.160 206 F HN 0.321 nan 8.300 nan 0.000 0.501 207 H N 3.300 122.396 119.070 0.043 0.000 2.517 207 H HA 0.590 5.145 4.556 -0.002 0.000 0.317 207 H C -0.232 175.009 175.328 -0.144 0.000 1.080 207 H CA -0.308 55.720 56.048 -0.033 0.000 1.301 207 H CB 1.929 31.672 29.762 -0.030 0.000 1.425 207 H HN 0.439 nan 8.280 nan 0.000 0.471 208 V N 0.437 120.312 119.914 -0.064 0.000 3.049 208 V HA 0.586 4.705 4.120 -0.001 0.000 0.309 208 V C -0.040 176.012 176.094 -0.070 0.000 1.148 208 V CA -0.960 61.204 62.300 -0.227 0.000 0.990 208 V CB 2.142 33.650 31.823 -0.524 0.000 1.039 208 V HN 0.633 nan 8.190 nan 0.000 0.430 209 S N 3.123 118.868 115.700 0.075 0.000 2.578 209 S HA 0.718 5.188 4.470 -0.001 0.000 0.283 209 S C -2.623 171.973 174.600 -0.008 0.000 1.195 209 S CA -1.053 57.182 58.200 0.058 0.000 1.050 209 S CB 1.341 64.607 63.200 0.111 0.000 1.012 209 S HN 0.823 nan 8.310 nan 0.000 0.511 210 P HA 0.181 nan 4.420 nan 0.000 0.272 210 P C -0.356 176.985 177.300 0.067 0.000 1.230 210 P CA -0.173 62.946 63.100 0.032 0.000 0.788 210 P CB 0.233 32.038 31.700 0.176 0.000 0.949 211 K N -1.708 118.745 120.400 0.089 0.000 3.069 211 K HA -0.161 4.158 4.320 -0.001 0.000 0.267 211 K C -0.169 176.457 176.600 0.045 0.000 1.082 211 K CA 1.194 57.526 56.287 0.075 0.000 0.782 211 K CB -1.533 31.008 32.500 0.069 0.000 1.230 211 K HN 0.500 nan 8.250 nan 0.000 0.488 212 K N -0.023 120.397 120.400 0.033 0.000 2.350 212 K HA 0.519 4.838 4.320 -0.001 0.000 0.241 212 K C 0.159 176.692 176.600 -0.112 0.000 0.994 212 K CA -0.574 55.660 56.287 -0.087 0.000 0.839 212 K CB 1.582 33.946 32.500 -0.227 0.000 1.244 212 K HN -0.073 nan 8.250 nan 0.000 0.443 213 T N 1.261 115.665 114.554 -0.249 0.000 2.829 213 T HA 0.599 4.948 4.350 -0.001 0.000 0.280 213 T C -0.987 173.523 174.700 -0.317 0.000 0.999 213 T CA -0.471 61.557 62.100 -0.119 0.000 0.983 213 T CB 0.436 69.301 68.868 -0.005 0.000 0.968 213 T HN 0.261 nan 8.240 nan 0.000 0.446 214 Y N 0.772 121.086 120.300 0.023 0.000 2.512 214 Y HA 0.592 5.141 4.550 -0.002 0.000 0.348 214 Y C 0.217 176.014 175.900 -0.172 0.000 0.990 214 Y CA -1.353 56.722 58.100 -0.042 0.000 1.033 214 Y CB 1.810 40.227 38.460 -0.071 0.000 1.259 214 Y HN 0.485 nan 8.280 nan 0.000 0.461 215 R N 3.124 123.474 120.500 -0.250 0.000 2.198 215 R HA 0.577 4.916 4.340 -0.001 0.000 0.339 215 R C -1.738 174.386 176.300 -0.293 0.000 1.020 215 R CA -0.023 55.789 56.100 -0.479 0.000 0.864 215 R CB -0.031 29.601 30.300 -1.115 0.000 1.105 215 R HN 0.709 nan 8.270 nan 0.000 0.463 216 I N 5.878 126.300 120.570 -0.247 0.000 2.307 216 I HA 0.327 4.497 4.170 -0.001 0.000 0.289 216 I C 0.119 176.066 176.117 -0.284 0.000 1.021 216 I CA -0.768 60.367 61.300 -0.275 0.000 1.224 216 I CB 1.338 39.187 38.000 -0.252 0.000 1.376 216 I HN 0.505 nan 8.210 nan 0.000 0.470 217 R N 7.416 127.757 120.500 -0.266 0.000 2.221 217 R HA 0.650 4.989 4.340 -0.001 0.000 0.327 217 R C -0.916 175.232 176.300 -0.252 0.000 1.033 217 R CA -0.432 55.533 56.100 -0.226 0.000 0.887 217 R CB 1.011 31.202 30.300 -0.182 0.000 1.057 217 R HN 0.532 nan 8.270 nan 0.000 0.455 218 I N 1.964 122.387 120.570 -0.245 0.000 2.447 218 I HA 0.489 4.658 4.170 -0.001 0.000 0.287 218 I C -0.391 175.600 176.117 -0.209 0.000 1.023 218 I CA -0.667 60.470 61.300 -0.272 0.000 1.083 218 I CB 2.126 39.895 38.000 -0.386 0.000 1.245 218 I HN 0.634 nan 8.210 nan 0.000 0.434 219 A N 3.952 126.610 122.820 -0.271 0.000 2.401 219 A HA 0.830 5.149 4.320 -0.001 0.000 0.310 219 A C -0.711 176.561 177.584 -0.520 0.000 1.075 219 A CA -0.607 51.209 52.037 -0.368 0.000 0.746 219 A CB 1.955 20.703 19.000 -0.422 0.000 1.277 219 A HN 0.572 nan 8.150 nan 0.000 0.425 220 S N 0.285 115.633 115.700 -0.587 0.000 2.454 220 S HA 0.642 5.111 4.470 -0.001 0.000 0.306 220 S C -0.185 173.939 174.600 -0.794 0.000 1.100 220 S CA -0.112 57.760 58.200 -0.547 0.000 1.087 220 S CB 0.829 63.860 63.200 -0.282 0.000 1.019 220 S HN 0.792 nan 8.310 nan 0.000 0.480 221 T N 2.411 116.543 114.554 -0.705 0.000 3.487 221 T HA 0.209 4.559 4.350 -0.001 0.000 0.287 221 T C 0.246 174.725 174.700 -0.369 0.000 1.004 221 T CA -0.474 61.286 62.100 -0.567 0.000 0.977 221 T CB -0.345 68.101 68.868 -0.703 0.000 1.180 221 T HN 0.780 nan 8.240 nan 0.000 0.490 222 T N -0.505 113.908 114.554 -0.235 0.000 2.918 222 T HA 0.573 4.923 4.350 -0.001 0.000 0.302 222 T C 1.667 176.351 174.700 -0.027 0.000 1.045 222 T CA -0.202 61.829 62.100 -0.115 0.000 1.114 222 T CB 1.389 70.209 68.868 -0.080 0.000 0.965 222 T HN 0.169 nan 8.240 nan 0.000 0.540 223 A N 1.709 124.571 122.820 0.070 0.000 2.016 223 A HA 0.241 4.560 4.320 -0.001 0.000 0.217 223 A C 1.858 179.472 177.584 0.051 0.000 1.162 223 A CA 1.065 53.122 52.037 0.033 0.000 0.662 223 A CB -0.510 18.504 19.000 0.023 0.000 0.812 223 A HN 0.839 nan 8.150 nan 0.000 0.450 224 L N -2.775 118.547 121.223 0.165 0.000 2.746 224 L HA 0.565 4.904 4.340 -0.001 0.000 0.230 224 L C 1.030 177.954 176.870 0.089 0.000 1.034 224 L CA 0.909 55.829 54.840 0.134 0.000 0.922 224 L CB -0.144 42.094 42.059 0.299 0.000 1.496 224 L HN 0.140 nan 8.230 nan 0.000 0.498 225 A N 1.314 124.166 122.820 0.054 0.000 2.520 225 A HA 0.577 4.896 4.320 -0.001 0.000 0.245 225 A C 0.274 177.858 177.584 0.000 0.000 1.072 225 A CA 0.389 52.429 52.037 0.004 0.000 0.761 225 A CB -0.411 18.549 19.000 -0.066 0.000 1.004 225 A HN 0.506 nan 8.150 nan 0.000 0.499 226 A N 3.308 126.135 122.820 0.011 0.000 2.274 226 A HA 0.644 4.964 4.320 -0.001 0.000 0.309 226 A C -0.142 177.361 177.584 -0.134 0.000 1.226 226 A CA -0.382 51.612 52.037 -0.073 0.000 0.853 226 A CB 0.145 19.153 19.000 0.014 0.000 1.146 226 A HN 0.823 nan 8.150 nan 0.000 0.518 227 L N 2.085 123.192 121.223 -0.193 0.000 2.303 227 L HA 0.562 4.901 4.340 -0.001 0.000 0.266 227 L C 0.258 177.025 176.870 -0.172 0.000 1.011 227 L CA -0.839 53.914 54.840 -0.146 0.000 0.818 227 L CB 1.774 43.768 42.059 -0.108 0.000 1.326 227 L HN 0.789 nan 8.230 nan 0.000 0.435 228 N N 0.934 119.562 118.700 -0.121 0.000 2.461 228 N HA 0.285 5.024 4.740 -0.001 0.000 0.284 228 N C -1.850 173.624 175.510 -0.060 0.000 1.049 228 N CA -0.377 52.598 53.050 -0.124 0.000 0.889 228 N CB 1.741 40.149 38.487 -0.131 0.000 1.365 228 N HN 0.401 nan 8.380 nan 0.000 0.499 229 F N 3.569 123.408 119.950 -0.185 0.000 2.410 229 F HA 0.681 5.207 4.527 -0.001 0.000 0.349 229 F C -0.573 175.156 175.800 -0.119 0.000 1.117 229 F CA -0.263 57.656 58.000 -0.135 0.000 1.104 229 F CB 0.998 39.919 39.000 -0.132 0.000 1.122 229 F HN 0.518 nan 8.300 nan 0.000 0.483 230 A N 7.155 129.579 122.820 -0.660 0.000 2.549 230 A HA 0.764 5.083 4.320 -0.001 0.000 0.297 230 A C -1.559 175.717 177.584 -0.513 0.000 1.061 230 A CA -0.662 51.118 52.037 -0.428 0.000 0.690 230 A CB 1.153 20.020 19.000 -0.223 0.000 1.287 230 A HN 0.707 nan 8.150 nan 0.000 0.402 231 I N 1.748 122.156 120.570 -0.270 0.000 2.465 231 I HA 0.443 4.612 4.170 -0.001 0.000 0.291 231 I C 0.937 177.059 176.117 0.009 0.000 1.014 231 I CA -0.817 60.397 61.300 -0.144 0.000 1.093 231 I CB 2.065 40.011 38.000 -0.090 0.000 1.267 231 I HN 0.828 nan 8.210 nan 0.000 0.431 232 G N 3.315 112.165 108.800 0.084 0.000 2.299 232 G HA2 0.061 4.021 3.960 -0.001 0.000 0.256 232 G HA3 0.061 4.021 3.960 -0.001 0.000 0.256 232 G C 0.381 175.402 174.900 0.203 0.000 1.259 232 G CA 0.160 45.360 45.100 0.166 0.000 0.943 232 G HN 0.948 nan 8.290 nan 0.000 0.479 233 N N -0.251 118.507 118.700 0.097 0.000 2.741 233 N HA -0.180 4.559 4.740 -0.001 0.000 0.251 233 N C -0.690 174.733 175.510 -0.145 0.000 1.112 233 N CA 1.249 54.273 53.050 -0.043 0.000 0.750 233 N CB -1.192 37.204 38.487 -0.151 0.000 1.119 233 N HN 0.807 nan 8.380 nan 0.000 0.561 234 H N -0.669 118.342 119.070 -0.097 0.000 2.934 234 H HA 0.404 4.959 4.556 -0.001 0.000 0.340 234 H C -0.392 174.943 175.328 0.011 0.000 1.008 234 H CA -0.596 55.422 56.048 -0.049 0.000 1.317 234 H CB 1.198 30.941 29.762 -0.031 0.000 1.670 234 H HN 0.054 nan 8.280 nan 0.000 0.516 235 Q N 2.056 121.926 119.800 0.116 0.000 2.354 235 Q HA 0.450 4.789 4.340 -0.001 0.000 0.244 235 Q C -0.972 175.156 176.000 0.213 0.000 0.969 235 Q CA -0.423 55.468 55.803 0.147 0.000 0.885 235 Q CB 0.759 29.562 28.738 0.107 0.000 1.241 235 Q HN 0.588 nan 8.270 nan 0.000 0.461 236 L N 3.339 124.677 121.223 0.191 0.000 2.322 236 L HA 0.452 4.791 4.340 -0.001 0.000 0.281 236 L C -0.968 175.882 176.870 -0.034 0.000 1.014 236 L CA -1.152 53.743 54.840 0.091 0.000 0.815 236 L CB 1.263 43.352 42.059 0.049 0.000 1.247 236 L HN 0.477 nan 8.230 nan 0.000 0.421 237 L N 4.442 125.547 121.223 -0.196 0.000 2.262 237 L HA 0.402 4.741 4.340 -0.001 0.000 0.288 237 L C -0.311 176.296 176.870 -0.438 0.000 1.035 237 L CA -0.176 54.366 54.840 -0.497 0.000 0.820 237 L CB 1.461 43.168 42.059 -0.587 0.000 1.204 237 L HN 0.276 nan 8.230 nan 0.000 0.424 238 V N 6.529 126.093 119.914 -0.583 0.000 2.470 238 V HA 0.154 4.273 4.120 -0.001 0.000 0.276 238 V C 0.949 176.819 176.094 -0.373 0.000 1.040 238 V CA 0.436 62.426 62.300 -0.516 0.000 1.008 238 V CB 1.035 32.320 31.823 -0.897 0.000 0.990 238 V HN 0.741 nan 8.190 nan 0.000 0.477 239 V N 1.045 120.789 119.914 -0.283 0.000 3.497 239 V HA 0.494 4.614 4.120 -0.001 0.000 0.272 239 V C 0.350 176.430 176.094 -0.023 0.000 1.474 239 V CA 0.234 62.375 62.300 -0.264 0.000 1.025 239 V CB 0.499 31.854 31.823 -0.780 0.000 0.820 239 V HN 0.767 nan 8.190 nan 0.000 0.437 240 E N 0.677 120.880 120.200 0.005 0.000 2.383 240 E HA 0.761 5.111 4.350 -0.001 0.000 0.275 240 E C -1.675 174.940 176.600 0.025 0.000 0.918 240 E CA -0.242 56.182 56.400 0.039 0.000 0.764 240 E CB 2.615 32.315 29.700 0.001 0.000 1.252 240 E HN 0.494 nan 8.360 nan 0.000 0.449 241 A N 3.039 125.816 122.820 -0.072 0.000 2.456 241 A HA 0.480 4.800 4.320 -0.001 0.000 0.288 241 A C -1.097 176.337 177.584 -0.250 0.000 1.042 241 A CA -0.426 51.480 52.037 -0.219 0.000 0.738 241 A CB 0.776 19.740 19.000 -0.061 0.000 1.266 241 A HN 0.718 nan 8.150 nan 0.000 0.407 242 D N 1.760 121.968 120.400 -0.321 0.000 2.689 242 D HA -0.144 4.495 4.640 -0.001 0.000 0.237 242 D C 1.286 177.473 176.300 -0.188 0.000 1.148 242 D CA 3.055 56.922 54.000 -0.221 0.000 0.656 242 D CB -1.207 39.490 40.800 -0.171 0.000 1.050 242 D HN 2.160 nan 8.370 nan 0.000 0.426 243 G N -1.136 107.450 108.800 -0.356 0.000 2.189 243 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.267 243 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.267 243 G C 0.347 175.081 174.900 -0.277 0.000 0.975 243 G CA 0.520 45.414 45.100 -0.342 0.000 0.644 243 G HN 0.552 nan 8.290 nan 0.000 0.537 244 N N -0.856 117.681 118.700 -0.271 0.000 2.457 244 N HA 0.633 5.372 4.740 -0.001 0.000 0.290 244 N C -1.004 174.355 175.510 -0.253 0.000 1.232 244 N CA -0.466 52.427 53.050 -0.261 0.000 0.852 244 N CB 1.040 39.462 38.487 -0.108 0.000 1.313 244 N HN 0.085 nan 8.380 nan 0.000 0.522 245 Y N -0.110 120.240 120.300 0.083 0.000 2.361 245 Y HA 0.383 4.932 4.550 -0.001 0.000 0.332 245 Y C 0.753 176.724 175.900 0.117 0.000 1.101 245 Y CA -0.831 57.344 58.100 0.124 0.000 1.137 245 Y CB 1.098 39.660 38.460 0.170 0.000 1.207 245 Y HN 0.144 nan 8.280 nan 0.000 0.463 246 V N -0.208 119.876 119.914 0.284 0.000 3.096 246 V HA 0.474 4.594 4.120 -0.001 0.000 0.319 246 V C -0.371 175.853 176.094 0.217 0.000 1.103 246 V CA -1.438 61.002 62.300 0.232 0.000 1.016 246 V CB 1.674 33.641 31.823 0.240 0.000 1.090 246 V HN 0.797 nan 8.190 nan 0.000 0.449 247 Q N 1.826 121.753 119.800 0.211 0.000 2.281 247 Q HA 0.308 4.647 4.340 -0.001 0.000 0.267 247 Q C -2.378 173.755 176.000 0.222 0.000 1.053 247 Q CA -1.467 54.447 55.803 0.185 0.000 0.905 247 Q CB 0.825 29.660 28.738 0.162 0.000 1.195 247 Q HN 0.639 nan 8.270 nan 0.000 0.398 248 P HA 0.057 nan 4.420 nan 0.000 0.268 248 P C -1.225 176.159 177.300 0.140 0.000 1.205 248 P CA 0.295 63.417 63.100 0.037 0.000 0.771 248 P CB 0.223 31.888 31.700 -0.059 0.000 0.858 249 F N 0.058 119.949 119.950 -0.097 0.000 2.686 249 F HA 0.612 5.138 4.527 -0.001 0.000 0.311 249 F C -1.727 174.020 175.800 -0.089 0.000 1.128 249 F CA -1.412 56.563 58.000 -0.042 0.000 0.946 249 F CB 0.767 39.792 39.000 0.042 0.000 1.336 249 F HN 0.125 nan 8.300 nan 0.000 0.457 250 Y N 0.306 120.759 120.300 0.255 0.000 2.387 250 Y HA 0.690 5.240 4.550 -0.001 0.000 0.330 250 Y C 0.426 176.462 175.900 0.226 0.000 1.133 250 Y CA -0.391 57.783 58.100 0.124 0.000 1.152 250 Y CB 2.112 40.633 38.460 0.101 0.000 1.215 250 Y HN 0.930 nan 8.280 nan 0.000 0.466 251 T N -0.395 114.344 114.554 0.307 0.000 2.853 251 T HA 0.257 4.607 4.350 -0.001 0.000 0.311 251 T C 0.252 175.045 174.700 0.155 0.000 1.307 251 T CA -0.228 62.026 62.100 0.258 0.000 1.019 251 T CB 0.777 69.835 68.868 0.317 0.000 1.264 251 T HN 0.612 nan 8.240 nan 0.000 0.497 252 S N 1.284 117.046 115.700 0.104 0.000 2.528 252 S HA 0.303 4.772 4.470 -0.001 0.000 0.219 252 S C 0.056 174.665 174.600 0.016 0.000 0.985 252 S CA 0.530 58.763 58.200 0.055 0.000 0.914 252 S CB -0.582 62.636 63.200 0.029 0.000 0.776 252 S HN 0.894 nan 8.310 nan 0.000 0.526 253 D N -0.092 120.303 120.400 -0.009 0.000 2.720 253 D HA 0.474 5.113 4.640 -0.001 0.000 0.239 253 D C -0.865 175.310 176.300 -0.208 0.000 1.218 253 D CA -0.949 53.008 54.000 -0.071 0.000 0.748 253 D CB 0.557 41.294 40.800 -0.104 0.000 1.387 253 D HN 0.326 nan 8.370 nan 0.000 0.438 254 I N -2.291 118.114 120.570 -0.275 0.000 2.740 254 I HA 0.712 4.881 4.170 -0.001 0.000 0.303 254 I C -1.158 174.595 176.117 -0.606 0.000 1.044 254 I CA -0.917 59.956 61.300 -0.713 0.000 1.064 254 I CB 2.075 39.701 38.000 -0.624 0.000 1.249 254 I HN 0.171 nan 8.210 nan 0.000 0.433 255 D N 4.671 124.557 120.400 -0.856 0.000 2.175 255 D HA 0.597 5.236 4.640 -0.001 0.000 0.248 255 D C -0.840 175.278 176.300 -0.303 0.000 1.047 255 D CA 0.048 53.779 54.000 -0.448 0.000 0.883 255 D CB 2.920 43.572 40.800 -0.246 0.000 1.180 255 D HN 0.612 nan 8.370 nan 0.000 0.438 256 I N 1.860 122.236 120.570 -0.323 0.000 2.610 256 I HA 0.254 4.424 4.170 -0.001 0.000 0.289 256 I C -1.580 174.373 176.117 -0.273 0.000 1.163 256 I CA -0.636 60.609 61.300 -0.092 0.000 1.044 256 I CB 1.072 39.078 38.000 0.010 0.000 1.251 256 I HN 0.215 nan 8.210 nan 0.000 0.424 257 Y N 3.915 124.284 120.300 0.114 0.000 2.488 257 Y HA 0.371 4.920 4.550 -0.001 0.000 0.325 257 Y C 0.922 176.820 175.900 -0.004 0.000 1.204 257 Y CA -0.362 57.773 58.100 0.058 0.000 1.229 257 Y CB 1.485 39.995 38.460 0.083 0.000 1.274 257 Y HN 0.469 nan 8.280 nan 0.000 0.493 258 S N 0.728 116.508 115.700 0.133 0.000 2.575 258 S HA 0.305 4.774 4.470 -0.001 0.000 0.295 258 S C 1.012 175.522 174.600 -0.150 0.000 1.267 258 S CA 1.153 59.366 58.200 0.023 0.000 1.074 258 S CB -0.648 62.642 63.200 0.150 0.000 0.829 258 S HN 1.160 nan 8.310 nan 0.000 0.497 259 G N 3.590 112.170 108.800 -0.366 0.000 2.176 259 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.232 259 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.232 259 G C -0.152 174.673 174.900 -0.125 0.000 0.986 259 G CA 0.195 44.949 45.100 -0.577 0.000 0.643 259 G HN 0.674 nan 8.290 nan 0.000 0.522 260 E N 0.468 120.636 120.200 -0.054 0.000 2.283 260 E HA 0.640 4.989 4.350 -0.001 0.000 0.267 260 E C 0.170 176.714 176.600 -0.093 0.000 1.045 260 E CA 0.082 56.461 56.400 -0.034 0.000 0.884 260 E CB 1.453 31.171 29.700 0.031 0.000 1.106 260 E HN 0.517 nan 8.360 nan 0.000 0.408 261 S N 0.662 116.226 115.700 -0.226 0.000 2.569 261 S HA 0.662 5.132 4.470 -0.001 0.000 0.280 261 S C -1.346 172.986 174.600 -0.446 0.000 1.111 261 S CA -0.829 57.237 58.200 -0.223 0.000 0.887 261 S CB 0.914 64.040 63.200 -0.124 0.000 1.095 261 S HN 0.452 nan 8.310 nan 0.000 0.476 262 Y N -0.462 119.760 120.300 -0.130 0.000 2.625 262 Y HA 0.732 5.282 4.550 -0.001 0.000 0.338 262 Y C -0.094 175.690 175.900 -0.193 0.000 1.123 262 Y CA -0.722 57.300 58.100 -0.130 0.000 1.046 262 Y CB 2.621 41.017 38.460 -0.107 0.000 1.299 262 Y HN 0.807 nan 8.280 nan 0.000 0.464 263 S N 0.797 116.498 115.700 0.002 0.000 2.538 263 S HA 0.768 5.237 4.470 -0.001 0.000 0.288 263 S C -1.622 172.881 174.600 -0.161 0.000 1.108 263 S CA -0.645 57.481 58.200 -0.123 0.000 0.971 263 S CB 1.899 65.025 63.200 -0.124 0.000 1.041 263 S HN 0.370 nan 8.310 nan 0.000 0.483 264 V N 3.705 123.490 119.914 -0.215 0.000 2.876 264 V HA 0.636 4.755 4.120 -0.001 0.000 0.312 264 V C -1.437 174.532 176.094 -0.209 0.000 1.085 264 V CA -0.653 61.515 62.300 -0.220 0.000 0.945 264 V CB 2.020 33.725 31.823 -0.195 0.000 1.017 264 V HN 0.711 nan 8.190 nan 0.000 0.428 265 L N 5.452 126.560 121.223 -0.193 0.000 2.334 265 L HA 0.727 5.066 4.340 -0.001 0.000 0.273 265 L C -0.359 176.508 176.870 -0.005 0.000 1.013 265 L CA -0.118 54.653 54.840 -0.115 0.000 0.816 265 L CB 1.798 43.779 42.059 -0.130 0.000 1.278 265 L HN 0.634 nan 8.230 nan 0.000 0.431 266 I N -2.072 118.546 120.570 0.081 0.000 2.934 266 I HA 0.795 4.964 4.170 -0.001 0.000 0.306 266 I C -0.784 175.453 176.117 0.200 0.000 1.110 266 I CA -0.472 60.926 61.300 0.164 0.000 1.019 266 I CB 2.530 40.646 38.000 0.194 0.000 1.227 266 I HN 0.399 nan 8.210 nan 0.000 0.434 267 T N 1.174 115.857 114.554 0.216 0.000 2.824 267 T HA 0.353 4.702 4.350 -0.001 0.000 0.282 267 T C 0.200 175.037 174.700 0.228 0.000 0.993 267 T CA -0.564 61.648 62.100 0.185 0.000 0.967 267 T CB 1.391 70.338 68.868 0.132 0.000 0.960 267 T HN 0.790 nan 8.240 nan 0.000 0.441 268 T N 0.393 115.076 114.554 0.215 0.000 4.475 268 T HA 0.112 4.461 4.350 -0.001 0.000 0.254 268 T C 0.662 175.503 174.700 0.236 0.000 1.160 268 T CA -0.544 61.693 62.100 0.229 0.000 1.091 268 T CB -0.324 68.500 68.868 -0.073 0.000 1.377 268 T HN 0.512 nan 8.240 nan 0.000 1.057 269 D N 0.579 121.071 120.400 0.153 0.000 2.162 269 D HA -0.052 4.588 4.640 -0.001 0.000 0.203 269 D C 1.053 177.399 176.300 0.076 0.000 0.967 269 D CA 0.496 54.544 54.000 0.080 0.000 0.840 269 D CB 0.195 40.991 40.800 -0.007 0.000 0.972 269 D HN 0.484 nan 8.370 nan 0.000 0.482 270 Q N 1.532 121.324 119.800 -0.012 0.000 2.540 270 Q HA -0.014 4.326 4.340 -0.001 0.000 0.256 270 Q C 0.497 176.527 176.000 0.050 0.000 1.084 270 Q CA -0.158 55.585 55.803 -0.100 0.000 0.956 270 Q CB 0.082 28.545 28.738 -0.458 0.000 1.303 270 Q HN 0.116 nan 8.270 nan 0.000 0.509 271 N N 2.127 120.846 118.700 0.032 0.000 2.223 271 N HA -0.101 4.638 4.740 -0.001 0.000 0.271 271 N C -1.987 173.531 175.510 0.014 0.000 1.315 271 N CA -0.510 52.569 53.050 0.048 0.000 0.835 271 N CB 0.507 39.019 38.487 0.041 0.000 1.066 271 N HN 0.196 nan 8.380 nan 0.000 0.486 272 P HA 0.091 nan 4.420 nan 0.000 0.245 272 P C 0.391 177.738 177.300 0.079 0.000 1.206 272 P CA 0.463 63.675 63.100 0.187 0.000 0.781 272 P CB 0.285 32.127 31.700 0.237 0.000 0.994 273 S N -0.421 115.280 115.700 0.002 0.000 2.603 273 S HA 0.031 4.500 4.470 -0.001 0.000 0.220 273 S C 0.635 175.173 174.600 -0.104 0.000 0.967 273 S CA 0.156 58.340 58.200 -0.027 0.000 0.920 273 S CB -0.629 62.558 63.200 -0.022 0.000 0.773 273 S HN 0.402 nan 8.310 nan 0.000 0.529 274 E N 0.245 120.315 120.200 -0.216 0.000 2.449 274 E HA 0.423 4.772 4.350 -0.001 0.000 0.278 274 E C -1.593 174.641 176.600 -0.611 0.000 0.992 274 E CA -1.140 55.034 56.400 -0.376 0.000 0.807 274 E CB 0.797 30.243 29.700 -0.423 0.000 1.350 274 E HN -0.117 nan 8.360 nan 0.000 0.462 275 N N -0.043 118.268 118.700 -0.648 0.000 2.472 275 N HA 0.413 5.153 4.740 -0.001 0.000 0.289 275 N C -1.361 173.534 175.510 -1.025 0.000 1.156 275 N CA -0.259 52.415 53.050 -0.626 0.000 0.940 275 N CB 0.868 39.111 38.487 -0.408 0.000 1.200 275 N HN 0.375 nan 8.380 nan 0.000 0.511 276 Y N -0.896 119.243 120.300 -0.269 0.000 2.499 276 Y HA 0.362 4.912 4.550 -0.001 0.000 0.347 276 Y C -0.371 175.350 175.900 -0.299 0.000 0.987 276 Y CA -0.851 57.102 58.100 -0.245 0.000 1.044 276 Y CB 1.178 39.592 38.460 -0.077 0.000 1.245 276 Y HN 0.417 nan 8.280 nan 0.000 0.461 277 W N 1.712 123.022 121.300 0.017 0.000 2.218 277 W HA 0.567 5.226 4.660 -0.002 0.000 0.326 277 W C -0.807 175.639 176.519 -0.122 0.000 1.276 277 W CA -0.542 56.757 57.345 -0.076 0.000 1.210 277 W CB 0.770 30.164 29.460 -0.111 0.000 1.143 277 W HN 0.079 nan 8.180 nan 0.000 0.563 278 V N 3.238 123.222 119.914 0.116 0.000 2.417 278 V HA 0.439 4.559 4.120 -0.001 0.000 0.291 278 V C -0.239 175.781 176.094 -0.123 0.000 1.024 278 V CA -0.706 61.516 62.300 -0.130 0.000 0.861 278 V CB 1.371 33.062 31.823 -0.219 0.000 0.985 278 V HN 0.495 nan 8.190 nan 0.000 0.436 279 S N 3.913 119.469 115.700 -0.240 0.000 2.557 279 S HA 0.745 5.214 4.470 -0.001 0.000 0.291 279 S C -1.101 173.356 174.600 -0.238 0.000 1.116 279 S CA -0.455 57.620 58.200 -0.209 0.000 0.992 279 S CB 1.755 64.835 63.200 -0.201 0.000 1.028 279 S HN 0.440 nan 8.310 nan 0.000 0.484 280 V N 4.570 124.395 119.914 -0.148 0.000 2.340 280 V HA 0.649 4.768 4.120 -0.001 0.000 0.277 280 V C 0.724 176.761 176.094 -0.096 0.000 1.017 280 V CA -0.310 61.940 62.300 -0.083 0.000 0.820 280 V CB 0.926 32.743 31.823 -0.009 0.000 1.028 280 V HN 0.939 nan 8.190 nan 0.000 0.436 281 G N 2.372 111.110 108.800 -0.103 0.000 2.441 281 G HA2 0.572 4.531 3.960 -0.001 0.000 0.334 281 G HA3 0.572 4.531 3.960 -0.001 0.000 0.334 281 G C -0.235 174.613 174.900 -0.086 0.000 1.161 281 G CA -0.479 44.562 45.100 -0.100 0.000 0.935 281 G HN 0.457 nan 8.290 nan 0.000 0.488 282 T N 1.668 116.174 114.554 -0.081 0.000 2.901 282 T HA 0.436 4.785 4.350 -0.001 0.000 0.301 282 T C 0.336 175.029 174.700 -0.013 0.000 1.012 282 T CA 0.138 62.200 62.100 -0.064 0.000 1.135 282 T CB 0.605 69.418 68.868 -0.091 0.000 0.936 282 T HN 0.394 nan 8.240 nan 0.000 0.539 283 R N 0.869 121.381 120.500 0.019 0.000 2.885 283 R HA 0.670 5.009 4.340 -0.001 0.000 0.260 283 R C 0.611 177.029 176.300 0.197 0.000 1.107 283 R CA -0.439 55.726 56.100 0.110 0.000 0.978 283 R CB 1.154 31.473 30.300 0.033 0.000 1.227 283 R HN 0.683 nan 8.270 nan 0.000 0.473 284 A N 0.183 123.199 122.820 0.326 0.000 3.930 284 A HA -0.267 4.052 4.320 -0.001 0.000 0.267 284 A C 0.106 178.040 177.584 0.583 0.000 0.971 284 A CA 1.957 54.295 52.037 0.502 0.000 1.197 284 A CB -0.914 18.377 19.000 0.485 0.000 1.073 284 A HN 0.634 nan 8.150 nan 0.000 0.871 285 R N -1.284 119.414 120.500 0.331 0.000 2.771 285 R HA 0.458 4.797 4.340 -0.001 0.000 0.274 285 R C -0.246 175.669 176.300 -0.641 0.000 0.987 285 R CA -0.576 55.498 56.100 -0.044 0.000 0.908 285 R CB 1.088 31.392 30.300 0.005 0.000 1.213 285 R HN 0.549 nan 8.270 nan 0.000 0.468 286 H N 3.792 122.060 119.070 -1.336 0.000 3.091 286 H HA 0.117 4.672 4.556 -0.001 0.000 0.289 286 H C -2.174 172.779 175.328 -0.624 0.000 0.995 286 H CA -1.265 53.898 56.048 -1.474 0.000 1.461 286 H CB 0.730 29.904 29.762 -0.981 0.000 1.510 286 H HN 0.178 nan 8.280 nan 0.000 0.546 287 P HA 0.091 nan 4.420 nan 0.000 0.275 287 P C -0.346 176.657 177.300 -0.494 0.000 1.227 287 P CA -0.219 62.618 63.100 -0.437 0.000 0.781 287 P CB 0.612 32.158 31.700 -0.256 0.000 0.906 288 N N 0.177 118.688 118.700 -0.316 0.000 2.527 288 N HA 0.128 4.867 4.740 -0.001 0.000 0.279 288 N C -1.516 173.888 175.510 -0.176 0.000 1.571 288 N CA -0.115 52.790 53.050 -0.242 0.000 0.858 288 N CB 0.434 38.794 38.487 -0.211 0.000 1.422 288 N HN 0.149 nan 8.380 nan 0.000 0.491 289 T N 0.775 115.225 114.554 -0.174 0.000 2.928 289 T HA 0.504 4.853 4.350 -0.001 0.000 0.296 289 T C -2.727 171.892 174.700 -0.135 0.000 1.000 289 T CA -0.897 61.112 62.100 -0.152 0.000 0.989 289 T CB 2.160 70.923 68.868 -0.176 0.000 1.005 289 T HN -0.044 nan 8.240 nan 0.000 0.442 290 P HA 0.279 nan 4.420 nan 0.000 0.272 290 P C -2.373 174.859 177.300 -0.112 0.000 1.230 290 P CA -1.185 61.844 63.100 -0.117 0.000 0.788 290 P CB -0.230 31.401 31.700 -0.114 0.000 0.949 291 P HA 0.079 nan 4.420 nan 0.000 0.272 291 P C -0.062 177.174 177.300 -0.106 0.000 1.223 291 P CA 0.014 63.040 63.100 -0.123 0.000 0.784 291 P CB 0.519 32.128 31.700 -0.151 0.000 0.923 292 G N 2.514 111.260 108.800 -0.089 0.000 2.355 292 G HA2 0.500 4.459 3.960 -0.001 0.000 0.276 292 G HA3 0.500 4.459 3.960 -0.001 0.000 0.276 292 G C -0.570 174.280 174.900 -0.084 0.000 1.198 292 G CA -0.488 44.572 45.100 -0.066 0.000 0.876 292 G HN 0.408 nan 8.290 nan 0.000 0.478 293 L N 1.461 122.641 121.223 -0.072 0.000 2.354 293 L HA 0.801 5.140 4.340 -0.001 0.000 0.269 293 L C 0.295 177.164 176.870 -0.002 0.000 1.005 293 L CA -0.700 54.106 54.840 -0.056 0.000 0.819 293 L CB 2.754 44.747 42.059 -0.110 0.000 1.311 293 L HN 0.637 nan 8.230 nan 0.000 0.423 294 T N 1.279 115.843 114.554 0.017 0.000 2.665 294 T HA 0.608 4.957 4.350 -0.001 0.000 0.303 294 T C -1.753 172.919 174.700 -0.048 0.000 1.334 294 T CA -0.440 61.626 62.100 -0.058 0.000 1.011 294 T CB 1.261 69.954 68.868 -0.291 0.000 1.573 294 T HN 0.345 nan 8.240 nan 0.000 0.492 295 L N 1.981 123.089 121.223 -0.191 0.000 2.334 295 L HA 0.672 5.011 4.340 -0.001 0.000 0.273 295 L C -0.896 175.858 176.870 -0.192 0.000 1.013 295 L CA -1.132 53.570 54.840 -0.229 0.000 0.816 295 L CB 1.788 43.682 42.059 -0.276 0.000 1.278 295 L HN 0.477 nan 8.230 nan 0.000 0.431 296 L N 3.922 125.097 121.223 -0.080 0.000 2.272 296 L HA 0.303 4.642 4.340 -0.001 0.000 0.284 296 L C -0.044 176.884 176.870 0.096 0.000 1.045 296 L CA 0.195 55.075 54.840 0.066 0.000 0.842 296 L CB 0.385 42.513 42.059 0.115 0.000 1.224 296 L HN 0.536 nan 8.230 nan 0.000 0.430 297 N N 4.052 122.771 118.700 0.032 0.000 2.439 297 N HA 0.078 4.817 4.740 -0.001 0.000 0.249 297 N C -1.317 174.310 175.510 0.195 0.000 1.003 297 N CA -0.491 52.600 53.050 0.068 0.000 0.942 297 N CB 0.511 38.972 38.487 -0.043 0.000 1.115 297 N HN 0.404 nan 8.380 nan 0.000 0.505 298 Y N 3.693 124.018 120.300 0.043 0.000 2.486 298 Y HA 0.211 4.760 4.550 -0.000 0.000 0.348 298 Y C 0.543 176.486 175.900 0.072 0.000 1.000 298 Y CA -0.295 57.858 58.100 0.089 0.000 1.253 298 Y CB 0.592 39.129 38.460 0.128 0.000 1.140 298 Y HN 0.337 nan 8.280 nan 0.000 0.526 299 L N 7.129 128.454 121.223 0.170 0.000 2.426 299 L HA 0.214 4.553 4.340 -0.001 0.000 0.271 299 L C -1.387 175.554 176.870 0.118 0.000 1.169 299 L CA -1.443 53.472 54.840 0.124 0.000 0.836 299 L CB 0.628 42.739 42.059 0.087 0.000 1.112 299 L HN 0.500 nan 8.230 nan 0.000 0.465 300 P HA 0.129 nan 4.420 nan 0.000 0.257 300 P C -0.660 176.672 177.300 0.053 0.000 1.737 300 P CA -0.352 62.785 63.100 0.061 0.000 1.130 300 P CB 0.166 31.891 31.700 0.041 0.000 1.572 301 N N 0.485 119.224 118.700 0.065 0.000 2.479 301 N HA 0.022 4.761 4.740 -0.001 0.000 0.257 301 N C 0.263 175.784 175.510 0.019 0.000 1.232 301 N CA 0.304 53.371 53.050 0.029 0.000 0.920 301 N CB 0.609 39.102 38.487 0.010 0.000 1.105 301 N HN 0.040 nan 8.380 nan 0.000 0.444 302 S N 0.310 116.007 115.700 -0.004 0.000 2.549 302 S HA 0.013 4.482 4.470 -0.001 0.000 0.283 302 S C 1.455 176.041 174.600 -0.024 0.000 1.320 302 S CA -0.524 57.671 58.200 -0.007 0.000 1.058 302 S CB 0.672 63.861 63.200 -0.018 0.000 0.882 302 S HN 0.377 nan 8.310 nan 0.000 0.498 303 V N 4.706 124.616 119.914 -0.007 0.000 2.913 303 V HA -0.068 4.052 4.120 -0.001 0.000 0.260 303 V C 1.971 178.027 176.094 -0.062 0.000 1.098 303 V CA 2.196 64.476 62.300 -0.033 0.000 1.121 303 V CB -0.517 31.313 31.823 0.011 0.000 0.714 303 V HN 0.997 nan 8.190 nan 0.000 0.487 304 S N -1.134 114.539 115.700 -0.045 0.000 2.562 304 S HA 0.004 4.474 4.470 -0.001 0.000 0.221 304 S C 1.084 175.644 174.600 -0.067 0.000 0.975 304 S CA 0.135 58.307 58.200 -0.047 0.000 0.918 304 S CB -0.247 62.935 63.200 -0.029 0.000 0.772 304 S HN 0.594 nan 8.310 nan 0.000 0.531 305 K N 2.421 122.767 120.400 -0.090 0.000 2.262 305 K HA 0.193 4.512 4.320 -0.001 0.000 0.288 305 K C -0.641 175.859 176.600 -0.165 0.000 1.090 305 K CA -0.584 55.640 56.287 -0.106 0.000 0.918 305 K CB 0.126 32.564 32.500 -0.102 0.000 1.139 305 K HN 0.122 nan 8.250 nan 0.000 0.462 306 L N 5.621 126.767 121.223 -0.129 0.000 2.461 306 L HA 0.185 4.524 4.340 -0.001 0.000 0.272 306 L C -1.794 174.967 176.870 -0.181 0.000 1.197 306 L CA -1.791 52.962 54.840 -0.145 0.000 0.836 306 L CB -0.223 41.864 42.059 0.045 0.000 1.105 306 L HN 0.568 nan 8.230 nan 0.000 0.477 307 P HA 0.025 nan 4.420 nan 0.000 0.269 307 P C 0.683 177.998 177.300 0.026 0.000 1.211 307 P CA 0.215 63.139 63.100 -0.293 0.000 0.781 307 P CB 0.401 31.781 31.700 -0.533 0.000 0.877 308 T N -1.984 112.560 114.554 -0.017 0.000 3.023 308 T HA 0.017 4.367 4.350 -0.001 0.000 0.266 308 T C 0.692 175.478 174.700 0.144 0.000 1.093 308 T CA 0.713 62.860 62.100 0.078 0.000 1.129 308 T CB -0.105 68.770 68.868 0.011 0.000 0.899 308 T HN 0.298 nan 8.240 nan 0.000 0.491 309 S N 2.102 117.849 115.700 0.078 0.000 2.608 309 S HA 0.480 4.949 4.470 -0.001 0.000 0.291 309 S C -2.532 171.901 174.600 -0.279 0.000 1.146 309 S CA -1.379 56.811 58.200 -0.017 0.000 1.043 309 S CB 1.342 64.554 63.200 0.020 0.000 1.037 309 S HN 0.060 nan 8.310 nan 0.000 0.520 310 P HA 0.138 nan 4.420 nan 0.000 0.270 310 P C -2.511 174.446 177.300 -0.573 0.000 1.221 310 P CA -0.819 61.660 63.100 -1.036 0.000 0.788 310 P CB -0.652 30.694 31.700 -0.591 0.000 0.904 311 P HA -0.005 nan 4.420 nan 0.000 0.266 311 P C -2.139 174.998 177.300 -0.271 0.000 1.186 311 P CA -0.337 62.416 63.100 -0.578 0.000 0.767 311 P CB -1.116 30.139 31.700 -0.742 0.000 0.820 312 P HA 0.009 nan 4.420 nan 0.000 0.267 312 P C -0.469 176.746 177.300 -0.142 0.000 1.205 312 P CA 0.241 63.269 63.100 -0.119 0.000 0.765 312 P CB 0.476 32.123 31.700 -0.088 0.000 0.828 313 Q N 1.820 121.549 119.800 -0.118 0.000 2.296 313 Q HA 0.123 4.462 4.340 -0.001 0.000 0.262 313 Q C 0.194 176.138 176.000 -0.093 0.000 0.981 313 Q CA 0.336 56.075 55.803 -0.107 0.000 0.905 313 Q CB 0.349 29.037 28.738 -0.084 0.000 1.186 313 Q HN 0.423 nan 8.270 nan 0.000 0.399 314 T N 5.311 119.809 114.554 -0.093 0.000 2.934 314 T HA 0.096 4.446 4.350 -0.001 0.000 0.306 314 T C -2.021 172.643 174.700 -0.059 0.000 1.042 314 T CA -0.787 61.265 62.100 -0.080 0.000 1.145 314 T CB -0.066 68.758 68.868 -0.073 0.000 0.982 314 T HN 0.343 nan 8.240 nan 0.000 0.544 315 P HA 0.218 nan 4.420 nan 0.000 0.268 315 P C -0.565 176.705 177.300 -0.050 0.000 1.208 315 P CA -0.371 62.691 63.100 -0.062 0.000 0.777 315 P CB 0.278 31.934 31.700 -0.073 0.000 0.875 316 A N 4.136 126.914 122.820 -0.071 0.000 2.566 316 A HA -0.048 4.271 4.320 -0.001 0.000 0.245 316 A C 1.549 179.052 177.584 -0.135 0.000 1.056 316 A CA -0.282 51.704 52.037 -0.085 0.000 0.757 316 A CB -0.563 18.334 19.000 -0.172 0.000 0.979 316 A HN 0.892 nan 8.150 nan 0.000 0.508 317 W N 3.340 124.574 121.300 -0.109 0.000 2.325 317 W HA -0.220 4.439 4.660 -0.002 0.000 0.299 317 W C 0.081 176.413 176.519 -0.312 0.000 1.215 317 W CA 1.568 58.831 57.345 -0.136 0.000 1.244 317 W CB -0.611 28.825 29.460 -0.041 0.000 1.140 317 W HN 0.763 nan 8.180 nan 0.000 0.523 318 D N 0.078 119.740 120.400 -1.230 0.000 2.388 318 D HA -0.025 4.614 4.640 -0.001 0.000 0.221 318 D C -0.235 175.436 176.300 -1.049 0.000 1.133 318 D CA -0.161 52.943 54.000 -1.493 0.000 0.831 318 D CB -0.858 38.876 40.800 -1.776 0.000 0.962 318 D HN -0.067 nan 8.370 nan 0.000 0.502 319 D N 0.279 120.253 120.400 -0.710 0.000 2.558 319 D HA 0.035 4.675 4.640 -0.001 0.000 0.221 319 D C 0.230 176.318 176.300 -0.354 0.000 1.143 319 D CA -0.617 53.139 54.000 -0.406 0.000 1.010 319 D CB -0.550 40.096 40.800 -0.257 0.000 1.068 319 D HN -0.050 nan 8.370 nan 0.000 0.511 320 F N 0.511 120.413 119.950 -0.079 0.000 2.365 320 F HA -0.079 4.448 4.527 -0.001 0.000 0.300 320 F C 1.997 177.674 175.800 -0.205 0.000 1.090 320 F CA 0.486 58.450 58.000 -0.061 0.000 1.408 320 F CB -0.036 38.962 39.000 -0.003 0.000 1.060 320 F HN 0.224 nan 8.300 nan 0.000 0.534 321 D N -0.132 120.237 120.400 -0.051 0.000 2.117 321 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 321 D C 2.379 178.577 176.300 -0.169 0.000 0.987 321 D CA 0.909 54.821 54.000 -0.147 0.000 0.829 321 D CB -0.333 40.406 40.800 -0.101 0.000 0.961 321 D HN 0.209 nan 8.370 nan 0.000 0.460 322 R N 0.603 121.035 120.500 -0.113 0.000 2.075 322 R HA -0.072 4.267 4.340 -0.001 0.000 0.232 322 R C 2.210 178.492 176.300 -0.029 0.000 1.126 322 R CA 1.249 57.304 56.100 -0.074 0.000 0.963 322 R CB 0.058 30.317 30.300 -0.068 0.000 0.858 322 R HN 0.019 nan 8.270 nan 0.000 0.435 323 S N 0.980 116.679 115.700 -0.002 0.000 2.359 323 S HA -0.146 4.323 4.470 -0.001 0.000 0.224 323 S C 1.716 176.327 174.600 0.018 0.000 1.035 323 S CA 1.520 59.817 58.200 0.162 0.000 1.018 323 S CB -0.152 63.278 63.200 0.382 0.000 0.876 323 S HN 0.382 nan 8.310 nan 0.000 0.448 324 K N 1.281 121.406 120.400 -0.458 0.000 2.097 324 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 324 K C 2.098 178.261 176.600 -0.728 0.000 1.049 324 K CA 1.349 57.038 56.287 -0.996 0.000 0.933 324 K CB -0.301 31.348 32.500 -1.419 0.000 0.717 324 K HN 0.342 nan 8.250 nan 0.000 0.442 325 N N 0.535 118.994 118.700 -0.401 0.000 2.061 325 N HA -0.239 4.501 4.740 -0.001 0.000 0.193 325 N C 1.662 177.125 175.510 -0.078 0.000 1.030 325 N CA 1.392 54.317 53.050 -0.207 0.000 0.856 325 N CB -0.154 38.270 38.487 -0.105 0.000 1.023 325 N HN 0.163 nan 8.380 nan 0.000 0.424 326 F N 0.757 120.664 119.950 -0.071 0.000 2.084 326 F HA -0.032 4.494 4.527 -0.001 0.000 0.296 326 F C 2.297 178.147 175.800 0.084 0.000 1.111 326 F CA 1.590 59.610 58.000 0.033 0.000 1.224 326 F CB -1.034 38.023 39.000 0.096 0.000 0.991 326 F HN -0.030 nan 8.300 nan 0.000 0.471 327 T N -0.159 114.354 114.554 -0.067 0.000 2.759 327 T HA -0.219 4.131 4.350 -0.001 0.000 0.269 327 T C 1.594 176.319 174.700 0.043 0.000 1.042 327 T CA 1.639 63.733 62.100 -0.011 0.000 1.140 327 T CB -0.563 68.517 68.868 0.352 0.000 0.864 327 T HN 0.273 nan 8.240 nan 0.000 0.455 328 Y N 1.454 121.622 120.300 -0.221 0.000 2.616 328 Y HA 0.161 4.711 4.550 -0.001 0.000 0.296 328 Y C 2.287 178.107 175.900 -0.133 0.000 1.154 328 Y CA -0.446 57.574 58.100 -0.133 0.000 1.325 328 Y CB -0.509 37.867 38.460 -0.141 0.000 1.007 328 Y HN 0.178 nan 8.280 nan 0.000 0.542 329 R N -0.089 120.324 120.500 -0.146 0.000 2.153 329 R HA 0.050 4.389 4.340 -0.001 0.000 0.218 329 R C 0.387 176.531 176.300 -0.260 0.000 1.072 329 R CA 0.270 56.176 56.100 -0.323 0.000 0.990 329 R CB -0.225 29.615 30.300 -0.766 0.000 0.889 329 R HN 0.205 nan 8.270 nan 0.000 0.452 330 I N 2.527 123.017 120.570 -0.134 0.000 2.662 330 I HA -0.064 4.105 4.170 -0.001 0.000 0.285 330 I C 0.357 176.545 176.117 0.118 0.000 1.161 330 I CA 0.706 62.053 61.300 0.079 0.000 1.415 330 I CB 0.559 38.661 38.000 0.170 0.000 1.385 330 I HN 0.120 nan 8.210 nan 0.000 0.552 331 T N 2.917 117.555 114.554 0.140 0.000 2.896 331 T HA 0.772 5.121 4.350 -0.001 0.000 0.297 331 T C -0.282 174.519 174.700 0.169 0.000 1.108 331 T CA -1.056 61.128 62.100 0.139 0.000 1.004 331 T CB 1.671 70.599 68.868 0.100 0.000 1.159 331 T HN 0.591 nan 8.240 nan 0.000 0.499 332 A N 1.105 124.029 122.820 0.172 0.000 2.386 332 A HA 0.734 5.054 4.320 -0.001 0.000 0.248 332 A C 0.831 178.519 177.584 0.173 0.000 1.082 332 A CA -0.320 51.828 52.037 0.185 0.000 0.789 332 A CB -0.503 18.622 19.000 0.209 0.000 1.025 332 A HN 1.481 nan 8.150 nan 0.000 0.490 333 A N 2.089 125.023 122.820 0.190 0.000 2.445 333 A HA 0.491 4.810 4.320 -0.001 0.000 0.242 333 A C 0.678 178.343 177.584 0.135 0.000 1.075 333 A CA 0.120 52.258 52.037 0.169 0.000 0.777 333 A CB -0.333 18.784 19.000 0.195 0.000 1.013 333 A HN 1.420 nan 8.150 nan 0.000 0.493 334 M N 1.790 121.452 119.600 0.104 0.000 2.239 334 M HA 0.498 4.977 4.480 -0.001 0.000 0.348 334 M C 0.779 177.126 176.300 0.079 0.000 1.239 334 M CA 1.223 56.575 55.300 0.086 0.000 1.114 334 M CB 0.286 32.926 32.600 0.067 0.000 1.641 334 M HN 1.709 nan 8.290 nan 0.000 0.453 335 G N 1.949 110.798 108.800 0.081 0.000 2.253 335 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.209 335 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.209 335 G C 0.126 175.088 174.900 0.103 0.000 0.997 335 G CA 0.033 45.178 45.100 0.075 0.000 0.640 335 G HN 0.828 nan 8.290 nan 0.000 0.496 336 S N 2.278 118.058 115.700 0.133 0.000 2.573 336 S HA 0.464 4.933 4.470 -0.001 0.000 0.277 336 S C -1.862 172.847 174.600 0.181 0.000 1.346 336 S CA -0.323 57.979 58.200 0.169 0.000 1.034 336 S CB 0.765 64.084 63.200 0.198 0.000 0.879 336 S HN 0.314 nan 8.310 nan 0.000 0.528 337 P HA 0.107 nan 4.420 nan 0.000 0.262 337 P C -0.470 177.037 177.300 0.344 0.000 1.182 337 P CA 0.241 63.515 63.100 0.289 0.000 0.761 337 P CB 0.324 32.253 31.700 0.382 0.000 0.795 338 K N 4.819 125.278 120.400 0.098 0.000 2.118 338 K HA 0.335 4.654 4.320 -0.001 0.000 0.267 338 K C -2.050 174.225 176.600 -0.543 0.000 0.991 338 K CA -1.839 54.364 56.287 -0.140 0.000 0.916 338 K CB 0.378 32.817 32.500 -0.102 0.000 1.041 338 K HN 0.401 nan 8.250 nan 0.000 0.455 339 P HA 0.070 nan 4.420 nan 0.000 0.269 339 P C -2.569 174.354 177.300 -0.628 0.000 1.215 339 P CA -1.043 61.212 63.100 -1.408 0.000 0.780 339 P CB -0.469 30.575 31.700 -1.094 0.000 0.898 340 P HA -0.080 nan 4.420 nan 0.000 0.261 340 P C 1.124 178.303 177.300 -0.201 0.000 1.173 340 P CA 0.318 63.276 63.100 -0.237 0.000 0.760 340 P CB 0.119 31.722 31.700 -0.161 0.000 0.783 341 V N 2.836 122.663 119.914 -0.144 0.000 2.667 341 V HA -0.097 4.023 4.120 -0.001 0.000 0.252 341 V C 1.172 177.218 176.094 -0.081 0.000 1.065 341 V CA 1.484 63.720 62.300 -0.107 0.000 1.083 341 V CB -0.712 31.058 31.823 -0.088 0.000 0.692 341 V HN 0.500 nan 8.190 nan 0.000 0.468 342 K N 0.441 120.780 120.400 -0.101 0.000 2.259 342 K HA 0.499 4.818 4.320 -0.001 0.000 0.249 342 K C -0.956 175.576 176.600 -0.113 0.000 0.942 342 K CA -0.773 55.424 56.287 -0.150 0.000 0.816 342 K CB 1.901 34.288 32.500 -0.188 0.000 1.155 342 K HN 0.194 nan 8.250 nan 0.000 0.428 343 F N 1.020 120.897 119.950 -0.122 0.000 2.483 343 F HA 0.459 4.986 4.527 -0.001 0.000 0.329 343 F C 0.161 175.882 175.800 -0.131 0.000 1.064 343 F CA -0.755 57.153 58.000 -0.154 0.000 0.986 343 F CB 0.925 39.814 39.000 -0.184 0.000 1.218 343 F HN 0.552 nan 8.300 nan 0.000 0.484 344 N N -0.483 118.256 118.700 0.065 0.000 2.294 344 N HA 0.169 4.909 4.740 -0.001 0.000 0.186 344 N C -0.591 174.998 175.510 0.133 0.000 1.107 344 N CA -0.308 52.743 53.050 0.003 0.000 0.884 344 N CB 0.444 38.908 38.487 -0.037 0.000 1.030 344 N HN 0.534 nan 8.380 nan 0.000 0.482 345 R N 0.854 121.483 120.500 0.216 0.000 2.584 345 R HA 0.409 4.749 4.340 -0.001 0.000 0.276 345 R C -1.909 174.298 176.300 -0.154 0.000 1.046 345 R CA -0.725 55.413 56.100 0.063 0.000 0.906 345 R CB 1.316 31.581 30.300 -0.058 0.000 1.215 345 R HN -0.053 nan 8.270 nan 0.000 0.449 346 R N 5.103 125.437 120.500 -0.276 0.000 2.532 346 R HA 0.560 4.899 4.340 -0.001 0.000 0.297 346 R C -1.188 174.803 176.300 -0.515 0.000 0.984 346 R CA -0.532 55.181 56.100 -0.645 0.000 0.884 346 R CB 1.151 30.894 30.300 -0.928 0.000 1.182 346 R HN 0.651 nan 8.270 nan 0.000 0.442 347 I N 4.198 124.416 120.570 -0.588 0.000 2.569 347 I HA 0.425 4.594 4.170 -0.001 0.000 0.296 347 I C -0.982 174.777 176.117 -0.596 0.000 1.028 347 I CA -0.975 60.098 61.300 -0.379 0.000 1.082 347 I CB 1.937 39.806 38.000 -0.218 0.000 1.264 347 I HN 0.503 nan 8.210 nan 0.000 0.429 348 F N 5.562 125.485 119.950 -0.046 0.000 2.426 348 F HA 0.517 5.044 4.527 -0.001 0.000 0.348 348 F C -0.307 175.585 175.800 0.153 0.000 1.124 348 F CA -0.518 57.502 58.000 0.033 0.000 1.008 348 F CB 1.317 40.331 39.000 0.024 0.000 1.139 348 F HN 0.076 nan 8.300 nan 0.000 0.452 349 L N 5.394 126.724 121.223 0.178 0.000 2.318 349 L HA 0.403 4.742 4.340 -0.001 0.000 0.277 349 L C -0.872 175.952 176.870 -0.077 0.000 1.008 349 L CA -0.881 53.990 54.840 0.051 0.000 0.846 349 L CB 1.511 43.483 42.059 -0.144 0.000 1.220 349 L HN 0.449 nan 8.230 nan 0.000 0.423 350 L N 4.638 125.764 121.223 -0.161 0.000 2.313 350 L HA 0.263 4.603 4.340 -0.001 0.000 0.282 350 L C 0.057 176.804 176.870 -0.206 0.000 1.092 350 L CA 0.401 54.967 54.840 -0.457 0.000 0.831 350 L CB 0.419 41.973 42.059 -0.841 0.000 1.159 350 L HN 0.488 nan 8.230 nan 0.000 0.442 351 N N 3.979 122.594 118.700 -0.142 0.000 2.462 351 N HA 0.333 5.073 4.740 -0.001 0.000 0.242 351 N C -0.850 174.704 175.510 0.074 0.000 1.010 351 N CA -0.219 52.846 53.050 0.025 0.000 0.939 351 N CB 0.892 39.407 38.487 0.046 0.000 1.127 351 N HN 0.702 nan 8.380 nan 0.000 0.509 352 T N -0.921 113.696 114.554 0.104 0.000 2.908 352 T HA 0.283 4.632 4.350 -0.001 0.000 0.290 352 T C -0.438 174.158 174.700 -0.173 0.000 1.034 352 T CA -0.904 61.208 62.100 0.020 0.000 1.010 352 T CB 2.599 71.447 68.868 -0.033 0.000 1.068 352 T HN 0.310 nan 8.240 nan 0.000 0.481 353 Q N 1.267 120.737 119.800 -0.550 0.000 2.290 353 Q HA 0.471 4.811 4.340 -0.001 0.000 0.259 353 Q C -1.143 174.562 176.000 -0.492 0.000 0.941 353 Q CA -0.510 54.641 55.803 -1.087 0.000 0.912 353 Q CB 0.709 28.631 28.738 -1.360 0.000 1.244 353 Q HN 0.751 nan 8.270 nan 0.000 0.441 354 N N 0.978 119.453 118.700 -0.376 0.000 2.629 354 N HA 0.546 5.285 4.740 -0.001 0.000 0.279 354 N C -1.773 173.660 175.510 -0.128 0.000 1.344 354 N CA -0.630 52.315 53.050 -0.174 0.000 0.789 354 N CB 2.194 40.630 38.487 -0.084 0.000 1.508 354 N HN 0.216 nan 8.380 nan 0.000 0.516 355 V N 1.592 121.469 119.914 -0.062 0.000 2.349 355 V HA 0.444 4.563 4.120 -0.001 0.000 0.284 355 V C -0.802 175.300 176.094 0.013 0.000 1.014 355 V CA -0.429 61.854 62.300 -0.028 0.000 0.826 355 V CB 0.406 32.205 31.823 -0.040 0.000 1.009 355 V HN 0.500 nan 8.190 nan 0.000 0.431 356 I N 4.388 124.996 120.570 0.062 0.000 2.354 356 I HA 0.378 4.547 4.170 -0.001 0.000 0.286 356 I C 0.811 177.025 176.117 0.160 0.000 1.007 356 I CA -0.376 60.978 61.300 0.089 0.000 1.167 356 I CB 0.972 39.024 38.000 0.087 0.000 1.320 356 I HN 0.855 nan 8.210 nan 0.000 0.458 357 N N 5.204 123.967 118.700 0.104 0.000 2.738 357 N HA -0.219 4.520 4.740 -0.001 0.000 0.249 357 N C 0.992 176.492 175.510 -0.016 0.000 1.047 357 N CA 0.456 53.566 53.050 0.101 0.000 0.707 357 N CB -0.411 38.195 38.487 0.200 0.000 0.937 357 N HN 1.171 nan 8.380 nan 0.000 0.545 358 G N -1.286 107.460 108.800 -0.089 0.000 2.220 358 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.269 358 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.269 358 G C -0.179 174.518 174.900 -0.338 0.000 0.977 358 G CA 0.857 45.815 45.100 -0.237 0.000 0.634 358 G HN 0.552 nan 8.290 nan 0.000 0.539 359 Y N 0.048 120.350 120.300 0.003 0.000 2.320 359 Y HA 0.518 5.067 4.550 -0.001 0.000 0.334 359 Y C 0.812 176.706 175.900 -0.010 0.000 1.055 359 Y CA -0.852 57.253 58.100 0.009 0.000 1.143 359 Y CB 1.763 40.235 38.460 0.020 0.000 1.193 359 Y HN 0.032 nan 8.280 nan 0.000 0.477 360 V N 5.899 125.890 119.914 0.129 0.000 2.415 360 V HA 0.159 4.278 4.120 -0.001 0.000 0.267 360 V C 0.115 176.232 176.094 0.039 0.000 1.042 360 V CA -0.365 61.948 62.300 0.022 0.000 1.000 360 V CB -0.205 31.616 31.823 -0.004 0.000 1.015 360 V HN 0.605 nan 8.190 nan 0.000 0.478 361 K N 3.250 123.629 120.400 -0.035 0.000 2.313 361 K HA 0.548 4.867 4.320 -0.001 0.000 0.235 361 K C -1.090 175.413 176.600 -0.163 0.000 1.035 361 K CA -0.674 55.611 56.287 -0.003 0.000 0.868 361 K CB 2.167 34.693 32.500 0.043 0.000 1.232 361 K HN 0.541 nan 8.250 nan 0.000 0.459 362 W N -0.216 121.085 121.300 0.001 0.000 2.689 362 W HA 0.622 5.282 4.660 -0.001 0.000 0.340 362 W C -0.487 176.029 176.519 -0.005 0.000 1.060 362 W CA -0.362 56.962 57.345 -0.035 0.000 1.218 362 W CB 2.074 31.487 29.460 -0.078 0.000 1.410 362 W HN 0.621 nan 8.180 nan 0.000 0.528 363 A N 3.348 126.303 122.820 0.223 0.000 2.539 363 A HA 0.833 5.152 4.320 -0.001 0.000 0.296 363 A C -1.810 175.871 177.584 0.162 0.000 1.073 363 A CA -0.657 51.473 52.037 0.156 0.000 0.700 363 A CB 1.313 20.363 19.000 0.084 0.000 1.296 363 A HN 0.423 nan 8.150 nan 0.000 0.405 364 I N 2.341 123.005 120.570 0.156 0.000 2.411 364 I HA 0.299 4.468 4.170 -0.001 0.000 0.284 364 I C -0.343 175.855 176.117 0.136 0.000 1.012 364 I CA -0.352 61.038 61.300 0.149 0.000 1.119 364 I CB 0.762 38.894 38.000 0.221 0.000 1.261 364 I HN 0.745 nan 8.210 nan 0.000 0.448 365 N N 4.733 123.483 118.700 0.082 0.000 2.725 365 N HA -0.221 4.519 4.740 -0.001 0.000 0.251 365 N C 0.273 175.844 175.510 0.101 0.000 1.031 365 N CA 1.090 54.204 53.050 0.107 0.000 0.720 365 N CB -0.817 37.791 38.487 0.202 0.000 0.930 365 N HN 0.665 nan 8.380 nan 0.000 0.543 366 D N -2.975 117.466 120.400 0.067 0.000 3.059 366 D HA -0.175 4.464 4.640 -0.001 0.000 0.213 366 D C -0.560 175.787 176.300 0.079 0.000 1.144 366 D CA 1.215 55.257 54.000 0.070 0.000 0.975 366 D CB -0.860 39.985 40.800 0.075 0.000 1.125 366 D HN 0.346 nan 8.370 nan 0.000 0.412 367 V N 0.581 120.553 119.914 0.096 0.000 2.398 367 V HA 0.456 4.575 4.120 -0.001 0.000 0.286 367 V C 0.400 176.558 176.094 0.107 0.000 1.026 367 V CA -0.565 61.791 62.300 0.094 0.000 0.868 367 V CB 1.944 33.823 31.823 0.093 0.000 0.982 367 V HN 0.127 nan 8.190 nan 0.000 0.443 368 S N 5.253 121.008 115.700 0.091 0.000 2.422 368 S HA 0.499 4.968 4.470 -0.001 0.000 0.298 368 S C -0.560 174.089 174.600 0.082 0.000 1.118 368 S CA -0.567 57.691 58.200 0.095 0.000 1.083 368 S CB 0.518 63.764 63.200 0.077 0.000 0.971 368 S HN 0.588 nan 8.310 nan 0.000 0.478 369 L N 5.553 126.830 121.223 0.090 0.000 2.455 369 L HA 0.534 4.873 4.340 -0.001 0.000 0.272 369 L C 0.066 176.961 176.870 0.042 0.000 1.174 369 L CA 0.573 55.461 54.840 0.080 0.000 0.869 369 L CB 0.529 42.641 42.059 0.090 0.000 1.130 369 L HN 0.762 nan 8.230 nan 0.000 0.474 370 A N 6.623 129.466 122.820 0.039 0.000 2.332 370 A HA 0.577 4.897 4.320 -0.001 0.000 0.300 370 A C -0.778 176.816 177.584 0.016 0.000 1.153 370 A CA -0.654 51.383 52.037 -0.001 0.000 0.764 370 A CB 0.506 19.499 19.000 -0.013 0.000 1.174 370 A HN 0.680 nan 8.150 nan 0.000 0.467 371 L N 4.332 125.552 121.223 -0.005 0.000 2.397 371 L HA 0.326 4.666 4.340 -0.001 0.000 0.271 371 L C -1.440 175.378 176.870 -0.086 0.000 1.148 371 L CA -1.430 53.398 54.840 -0.020 0.000 0.825 371 L CB 0.714 42.758 42.059 -0.026 0.000 1.117 371 L HN 0.571 nan 8.230 nan 0.000 0.456 372 P HA 0.145 nan 4.420 nan 0.000 0.272 372 P C -2.264 174.944 177.300 -0.153 0.000 1.240 372 P CA -1.322 61.684 63.100 -0.158 0.000 0.791 372 P CB 0.226 31.802 31.700 -0.206 0.000 0.978 373 P HA -0.019 nan 4.420 nan 0.000 0.233 373 P C 0.083 177.335 177.300 -0.079 0.000 1.167 373 P CA 0.774 63.830 63.100 -0.074 0.000 0.770 373 P CB 0.050 31.725 31.700 -0.041 0.000 0.837 374 T N 3.796 118.290 114.554 -0.100 0.000 2.799 374 T HA 0.302 4.652 4.350 -0.001 0.000 0.286 374 T C -2.509 172.095 174.700 -0.160 0.000 0.973 374 T CA -1.641 60.411 62.100 -0.081 0.000 1.035 374 T CB 1.023 69.878 68.868 -0.022 0.000 0.932 374 T HN 0.053 nan 8.240 nan 0.000 0.469 375 P HA 0.028 nan 4.420 nan 0.000 0.267 375 P C 0.144 177.393 177.300 -0.085 0.000 1.209 375 P CA -0.120 62.921 63.100 -0.097 0.000 0.763 375 P CB 0.532 32.227 31.700 -0.008 0.000 0.816 376 Y N 2.929 123.148 120.300 -0.135 0.000 2.151 376 Y HA -0.231 4.318 4.550 -0.001 0.000 0.284 376 Y C 2.436 178.250 175.900 -0.142 0.000 1.166 376 Y CA 1.559 59.507 58.100 -0.253 0.000 1.163 376 Y CB -1.145 37.101 38.460 -0.357 0.000 0.974 376 Y HN 0.233 nan 8.280 nan 0.000 0.511 377 L N -0.147 121.114 121.223 0.062 0.000 2.017 377 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 377 L C 2.486 179.409 176.870 0.089 0.000 1.073 377 L CA 2.244 57.104 54.840 0.034 0.000 0.745 377 L CB -1.197 40.872 42.059 0.017 0.000 0.894 377 L HN 0.206 nan 8.230 nan 0.000 0.432 378 G N -1.271 107.608 108.800 0.133 0.000 2.418 378 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.217 378 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.217 378 G C 1.603 176.668 174.900 0.275 0.000 1.158 378 G CA 0.789 46.031 45.100 0.236 0.000 0.771 378 G HN 0.627 nan 8.290 nan 0.000 0.545 379 A N 0.444 123.385 122.820 0.202 0.000 1.902 379 A HA 0.057 4.376 4.320 -0.001 0.000 0.217 379 A C 2.447 180.197 177.584 0.277 0.000 1.181 379 A CA 1.782 53.972 52.037 0.255 0.000 0.623 379 A CB -0.316 18.872 19.000 0.313 0.000 0.818 379 A HN 0.390 nan 8.150 nan 0.000 0.443 380 M N -1.297 118.443 119.600 0.233 0.000 2.288 380 M HA -0.058 4.421 4.480 -0.001 0.000 0.266 380 M C 2.239 178.571 176.300 0.053 0.000 1.072 380 M CA 1.491 56.901 55.300 0.184 0.000 1.132 380 M CB -0.153 32.533 32.600 0.143 0.000 1.386 380 M HN 0.464 nan 8.290 nan 0.000 0.432 381 K N 0.098 120.481 120.400 -0.028 0.000 2.057 381 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 381 K C 1.051 177.414 176.600 -0.395 0.000 1.050 381 K CA 1.468 57.607 56.287 -0.247 0.000 0.935 381 K CB 0.056 32.315 32.500 -0.403 0.000 0.715 381 K HN 0.245 nan 8.250 nan 0.000 0.439 382 Y N 0.738 121.068 120.300 0.050 0.000 2.471 382 Y HA 0.101 4.650 4.550 -0.001 0.000 0.286 382 Y C 0.187 176.101 175.900 0.022 0.000 1.188 382 Y CA 0.231 58.350 58.100 0.033 0.000 1.286 382 Y CB -0.505 37.973 38.460 0.029 0.000 1.072 382 Y HN 0.253 nan 8.280 nan 0.000 0.517 383 N N 0.554 119.307 118.700 0.088 0.000 2.725 383 N HA -0.214 4.526 4.740 -0.001 0.000 0.251 383 N C -1.321 174.194 175.510 0.009 0.000 1.031 383 N CA 0.058 53.134 53.050 0.044 0.000 0.720 383 N CB -1.048 37.447 38.487 0.014 0.000 0.930 383 N HN 0.285 nan 8.380 nan 0.000 0.543 384 L N 1.214 122.464 121.223 0.046 0.000 2.334 384 L HA 0.163 4.502 4.340 -0.001 0.000 0.286 384 L C 1.473 178.250 176.870 -0.154 0.000 1.108 384 L CA -0.447 54.372 54.840 -0.035 0.000 0.875 384 L CB 0.383 42.479 42.059 0.061 0.000 1.246 384 L HN 0.327 nan 8.230 nan 0.000 0.439 385 L N 2.409 123.426 121.223 -0.344 0.000 2.465 385 L HA -0.077 4.262 4.340 -0.001 0.000 0.224 385 L C 1.589 178.214 176.870 -0.409 0.000 1.145 385 L CA 0.449 55.037 54.840 -0.420 0.000 0.834 385 L CB -0.457 41.376 42.059 -0.377 0.000 0.944 385 L HN 0.700 nan 8.230 nan 0.000 0.451 386 H N -0.849 118.159 119.070 -0.103 0.000 2.529 386 H HA 0.304 4.859 4.556 -0.001 0.000 0.277 386 H C 1.900 177.195 175.328 -0.054 0.000 1.004 386 H CA 0.473 56.472 56.048 -0.082 0.000 1.167 386 H CB 0.306 30.045 29.762 -0.039 0.000 1.445 386 H HN 0.231 nan 8.280 nan 0.000 0.554 387 A N 0.602 123.430 122.820 0.013 0.000 2.123 387 A HA 0.219 4.538 4.320 -0.001 0.000 0.214 387 A C 0.416 178.160 177.584 0.266 0.000 1.152 387 A CA 0.479 52.607 52.037 0.152 0.000 0.728 387 A CB -0.252 18.901 19.000 0.255 0.000 0.814 387 A HN 0.279 nan 8.150 nan 0.000 0.464 388 F N -3.594 116.387 119.950 0.052 0.000 2.985 388 F HA 0.607 5.133 4.527 -0.001 0.000 0.322 388 F C -1.249 174.598 175.800 0.079 0.000 1.187 388 F CA -2.078 55.968 58.000 0.076 0.000 0.910 388 F CB 0.191 39.295 39.000 0.174 0.000 1.411 388 F HN -0.201 nan 8.300 nan 0.000 0.492 389 D N 0.912 121.434 120.400 0.203 0.000 2.312 389 D HA 0.205 4.844 4.640 -0.001 0.000 0.252 389 D C 0.262 176.558 176.300 -0.007 0.000 1.150 389 D CA 0.020 54.055 54.000 0.057 0.000 0.870 389 D CB 1.337 42.199 40.800 0.102 0.000 1.153 389 D HN 0.508 nan 8.370 nan 0.000 0.457 390 Q N 2.033 121.753 119.800 -0.132 0.000 2.403 390 Q HA 0.070 4.410 4.340 -0.001 0.000 0.203 390 Q C -0.265 175.710 176.000 -0.043 0.000 0.932 390 Q CA 0.084 55.805 55.803 -0.136 0.000 0.945 390 Q CB -0.031 28.594 28.738 -0.188 0.000 1.045 390 Q HN 0.411 nan 8.270 nan 0.000 0.511 391 N N 3.426 122.113 118.700 -0.021 0.000 2.497 391 N HA 0.117 4.856 4.740 -0.001 0.000 0.268 391 N C -2.327 173.167 175.510 -0.027 0.000 1.171 391 N CA -1.075 51.965 53.050 -0.016 0.000 0.948 391 N CB 0.421 38.904 38.487 -0.006 0.000 1.069 391 N HN 0.054 nan 8.380 nan 0.000 0.460 392 P HA 0.058 nan 4.420 nan 0.000 0.262 392 P C -2.416 174.814 177.300 -0.117 0.000 1.182 392 P CA -0.622 62.430 63.100 -0.080 0.000 0.761 392 P CB -0.191 31.485 31.700 -0.038 0.000 0.795 393 P HA 0.194 nan 4.420 nan 0.000 0.274 393 P C -2.328 174.916 177.300 -0.094 0.000 1.237 393 P CA -1.847 61.080 63.100 -0.287 0.000 0.793 393 P CB -0.880 30.439 31.700 -0.635 0.000 0.977 394 P HA 0.032 nan 4.420 nan 0.000 0.260 394 P C 0.227 177.714 177.300 0.312 0.000 1.185 394 P CA 0.580 63.777 63.100 0.163 0.000 0.763 394 P CB 0.623 32.414 31.700 0.152 0.000 0.776 395 E N 1.156 121.526 120.200 0.283 0.000 2.474 395 E HA 0.102 4.451 4.350 -0.001 0.000 0.195 395 E C 0.621 177.386 176.600 0.275 0.000 1.039 395 E CA 0.131 56.719 56.400 0.313 0.000 0.881 395 E CB 0.543 30.394 29.700 0.251 0.000 0.970 395 E HN 0.408 nan 8.360 nan 0.000 0.486 396 V N -1.935 118.119 119.914 0.233 0.000 3.159 396 V HA 0.594 4.713 4.120 -0.001 0.000 0.308 396 V C -0.726 175.461 176.094 0.156 0.000 1.190 396 V CA -1.355 61.044 62.300 0.164 0.000 1.037 396 V CB 1.217 33.033 31.823 -0.012 0.000 1.060 396 V HN 0.051 nan 8.190 nan 0.000 0.437 397 F N -0.563 119.412 119.950 0.042 0.000 2.613 397 F HA 1.022 5.548 4.527 -0.001 0.000 0.342 397 F C -2.537 173.266 175.800 0.006 0.000 1.066 397 F CA -2.843 55.164 58.000 0.011 0.000 1.002 397 F CB 0.352 39.325 39.000 -0.045 0.000 1.319 397 F HN 0.447 nan 8.300 nan 0.000 0.495 398 P HA 0.075 nan 4.420 nan 0.000 0.271 398 P C 0.255 177.628 177.300 0.122 0.000 1.226 398 P CA -0.063 63.109 63.100 0.119 0.000 0.765 398 P CB 1.173 32.987 31.700 0.190 0.000 0.835 399 E N 3.003 123.166 120.200 -0.062 0.000 2.333 399 E HA -0.212 4.137 4.350 -0.001 0.000 0.198 399 E C 0.278 176.926 176.600 0.081 0.000 1.007 399 E CA 1.432 57.801 56.400 -0.051 0.000 0.845 399 E CB -0.871 28.748 29.700 -0.134 0.000 0.766 399 E HN 0.573 nan 8.360 nan 0.000 0.507 400 D N -0.890 119.572 120.400 0.102 0.000 2.328 400 D HA -0.064 4.575 4.640 -0.001 0.000 0.226 400 D C 0.021 176.413 176.300 0.154 0.000 1.066 400 D CA -0.434 53.625 54.000 0.099 0.000 0.861 400 D CB -0.722 40.114 40.800 0.060 0.000 0.912 400 D HN 0.168 nan 8.370 nan 0.000 0.521 401 Y N 1.505 121.889 120.300 0.140 0.000 2.377 401 Y HA 0.212 4.761 4.550 -0.001 0.000 0.330 401 Y C -0.189 175.784 175.900 0.121 0.000 1.108 401 Y CA -0.760 57.426 58.100 0.144 0.000 1.308 401 Y CB 0.740 39.326 38.460 0.210 0.000 1.216 401 Y HN -0.169 nan 8.280 nan 0.000 0.518 402 D N 6.537 126.798 120.400 -0.232 0.000 2.380 402 D HA 0.066 4.705 4.640 -0.001 0.000 0.230 402 D C 0.856 177.143 176.300 -0.022 0.000 1.154 402 D CA -0.251 53.699 54.000 -0.084 0.000 0.859 402 D CB 0.191 40.913 40.800 -0.130 0.000 1.045 402 D HN 0.671 nan 8.370 nan 0.000 0.495 403 I N -0.110 120.617 120.570 0.262 0.000 3.444 403 I HA 0.116 4.285 4.170 -0.001 0.000 0.287 403 I C 0.043 176.337 176.117 0.295 0.000 1.302 403 I CA 0.481 62.005 61.300 0.373 0.000 1.368 403 I CB 0.071 38.281 38.000 0.351 0.000 1.048 403 I HN 0.021 nan 8.210 nan 0.000 0.487 404 D N 0.675 121.163 120.400 0.147 0.000 2.369 404 D HA 0.117 4.756 4.640 -0.001 0.000 0.211 404 D C 0.111 176.462 176.300 0.085 0.000 1.077 404 D CA 0.388 54.443 54.000 0.092 0.000 0.842 404 D CB 0.596 41.372 40.800 -0.040 0.000 0.947 404 D HN 0.260 nan 8.370 nan 0.000 0.509 405 T N 1.195 115.781 114.554 0.053 0.000 2.885 405 T HA 0.397 4.746 4.350 -0.001 0.000 0.285 405 T C -2.594 172.123 174.700 0.028 0.000 1.019 405 T CA -1.803 60.302 62.100 0.008 0.000 1.010 405 T CB 1.996 70.823 68.868 -0.067 0.000 1.022 405 T HN -0.263 nan 8.240 nan 0.000 0.466 406 P HA 0.108 nan 4.420 nan 0.000 0.264 406 P C -2.440 174.864 177.300 0.007 0.000 1.179 406 P CA -0.788 62.324 63.100 0.021 0.000 0.763 406 P CB -0.453 31.248 31.700 0.002 0.000 0.806 407 P HA -0.043 nan 4.420 nan 0.000 0.267 407 P C 1.044 178.356 177.300 0.019 0.000 1.200 407 P CA 0.297 63.440 63.100 0.073 0.000 0.772 407 P CB 0.156 31.916 31.700 0.100 0.000 0.855 408 T N -2.099 112.470 114.554 0.024 0.000 2.978 408 T HA -0.077 4.272 4.350 -0.001 0.000 0.262 408 T C 0.759 175.472 174.700 0.022 0.000 1.063 408 T CA 0.647 62.755 62.100 0.012 0.000 1.140 408 T CB -0.662 68.212 68.868 0.011 0.000 0.886 408 T HN 0.450 nan 8.240 nan 0.000 0.470 409 N N 0.568 119.294 118.700 0.043 0.000 2.909 409 N HA -0.204 4.535 4.740 -0.001 0.000 0.242 409 N C 0.811 176.345 175.510 0.040 0.000 0.975 409 N CA 1.133 54.205 53.050 0.036 0.000 0.921 409 N CB -1.426 37.069 38.487 0.014 0.000 1.112 409 N HN 0.754 nan 8.380 nan 0.000 0.581 410 E N 0.962 121.188 120.200 0.043 0.000 2.086 410 E HA -0.190 4.160 4.350 -0.001 0.000 0.205 410 E C 0.729 177.356 176.600 0.045 0.000 1.027 410 E CA 1.634 58.058 56.400 0.040 0.000 0.830 410 E CB 0.028 29.754 29.700 0.043 0.000 0.751 410 E HN 0.461 nan 8.360 nan 0.000 0.456 411 K N 0.021 120.455 120.400 0.057 0.000 2.414 411 K HA 0.136 4.456 4.320 -0.001 0.000 0.204 411 K C -0.408 176.227 176.600 0.058 0.000 1.026 411 K CA -0.080 56.241 56.287 0.057 0.000 1.108 411 K CB 1.227 33.765 32.500 0.064 0.000 0.855 411 K HN -0.018 nan 8.250 nan 0.000 0.517 412 T N 3.705 118.293 114.554 0.056 0.000 2.834 412 T HA 0.099 4.449 4.350 -0.001 0.000 0.298 412 T C 0.318 175.049 174.700 0.051 0.000 0.966 412 T CA -0.160 61.972 62.100 0.054 0.000 1.141 412 T CB 0.506 69.402 68.868 0.045 0.000 0.905 412 T HN 0.270 nan 8.240 nan 0.000 0.535 413 R N 2.680 123.213 120.500 0.054 0.000 2.905 413 R HA 0.611 4.950 4.340 -0.001 0.000 0.260 413 R C -1.180 175.151 176.300 0.052 0.000 1.086 413 R CA -1.017 55.114 56.100 0.051 0.000 0.978 413 R CB 1.210 31.539 30.300 0.048 0.000 1.215 413 R HN 0.493 nan 8.270 nan 0.000 0.480 414 I N -0.002 120.595 120.570 0.046 0.000 2.437 414 I HA 0.597 4.766 4.170 -0.001 0.000 0.298 414 I C 0.269 176.415 176.117 0.049 0.000 0.984 414 I CA -0.470 60.855 61.300 0.043 0.000 1.214 414 I CB 1.967 39.980 38.000 0.023 0.000 1.365 414 I HN 0.926 nan 8.210 nan 0.000 0.469 415 G N 3.387 112.223 108.800 0.061 0.000 2.600 415 G HA2 0.302 4.261 3.960 -0.001 0.000 0.293 415 G HA3 0.302 4.261 3.960 -0.001 0.000 0.293 415 G C -1.055 173.903 174.900 0.097 0.000 1.408 415 G CA -0.623 44.521 45.100 0.072 0.000 0.782 415 G HN 0.754 nan 8.290 nan 0.000 0.482 416 N N -0.433 118.345 118.700 0.131 0.000 2.471 416 N HA 0.198 4.937 4.740 -0.001 0.000 0.270 416 N C 0.509 176.181 175.510 0.269 0.000 1.490 416 N CA -0.378 52.797 53.050 0.209 0.000 0.850 416 N CB 1.355 39.978 38.487 0.227 0.000 1.411 416 N HN 0.765 nan 8.380 nan 0.000 0.488 417 G N 0.583 109.474 108.800 0.153 0.000 2.599 417 G HA2 0.459 4.419 3.960 -0.001 0.000 0.264 417 G HA3 0.459 4.419 3.960 -0.001 0.000 0.264 417 G C -0.532 174.354 174.900 -0.024 0.000 1.200 417 G CA -0.170 45.008 45.100 0.130 0.000 0.896 417 G HN 0.064 nan 8.290 nan 0.000 0.536 418 V N 0.088 119.965 119.914 -0.061 0.000 2.735 418 V HA 0.322 4.441 4.120 -0.001 0.000 0.310 418 V C -1.227 174.762 176.094 -0.175 0.000 1.061 418 V CA -0.759 61.444 62.300 -0.162 0.000 0.913 418 V CB 1.806 33.474 31.823 -0.259 0.000 1.005 418 V HN 0.615 nan 8.190 nan 0.000 0.428 419 Y N 3.007 123.279 120.300 -0.048 0.000 2.336 419 Y HA 0.498 5.047 4.550 -0.001 0.000 0.335 419 Y C 0.539 176.072 175.900 -0.612 0.000 1.046 419 Y CA -0.089 57.850 58.100 -0.268 0.000 1.198 419 Y CB 0.803 39.136 38.460 -0.211 0.000 1.182 419 Y HN 0.553 nan 8.280 nan 0.000 0.502 420 Q N 3.040 122.531 119.800 -0.514 0.000 2.337 420 Q HA 0.562 4.902 4.340 -0.001 0.000 0.266 420 Q C -1.447 174.146 176.000 -0.678 0.000 1.023 420 Q CA -0.712 54.803 55.803 -0.479 0.000 0.829 420 Q CB 1.858 30.495 28.738 -0.168 0.000 1.306 420 Q HN 0.489 nan 8.270 nan 0.000 0.449 421 F N 0.432 120.395 119.950 0.022 0.000 2.575 421 F HA 0.491 5.018 4.527 -0.001 0.000 0.330 421 F C 0.199 176.014 175.800 0.024 0.000 1.056 421 F CA -1.045 56.948 58.000 -0.011 0.000 0.964 421 F CB 1.232 40.203 39.000 -0.048 0.000 1.258 421 F HN 0.197 nan 8.300 nan 0.000 0.484 422 K N 1.462 121.992 120.400 0.217 0.000 2.156 422 K HA 0.384 4.703 4.320 -0.001 0.000 0.271 422 K C -0.533 176.145 176.600 0.129 0.000 0.995 422 K CA -0.916 55.449 56.287 0.129 0.000 0.890 422 K CB 1.281 33.831 32.500 0.084 0.000 1.073 422 K HN 0.629 nan 8.250 nan 0.000 0.454 423 I N 4.120 124.761 120.570 0.118 0.000 3.051 423 I HA -0.055 4.114 4.170 -0.001 0.000 0.290 423 I C 0.821 176.986 176.117 0.081 0.000 1.166 423 I CA 1.584 62.953 61.300 0.116 0.000 1.479 423 I CB -0.460 37.603 38.000 0.105 0.000 1.505 423 I HN 0.954 nan 8.210 nan 0.000 0.654 424 G N 4.456 113.300 108.800 0.072 0.000 2.227 424 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.168 424 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.168 424 G C 0.148 175.046 174.900 -0.003 0.000 1.006 424 G CA -0.345 44.779 45.100 0.039 0.000 0.684 424 G HN 0.539 nan 8.290 nan 0.000 0.489 425 E N 0.601 120.788 120.200 -0.022 0.000 2.414 425 E HA 0.326 4.675 4.350 -0.001 0.000 0.263 425 E C 0.157 176.643 176.600 -0.190 0.000 1.000 425 E CA 0.016 56.364 56.400 -0.086 0.000 0.914 425 E CB 1.729 31.376 29.700 -0.088 0.000 0.948 425 E HN 0.101 nan 8.360 nan 0.000 0.444 426 V N 4.643 124.454 119.914 -0.171 0.000 2.389 426 V HA 0.076 4.196 4.120 -0.001 0.000 0.264 426 V C 0.117 176.004 176.094 -0.346 0.000 1.049 426 V CA -0.372 61.796 62.300 -0.220 0.000 0.932 426 V CB 0.940 32.702 31.823 -0.101 0.000 1.011 426 V HN 0.352 nan 8.190 nan 0.000 0.475 427 V N 4.491 123.971 119.914 -0.724 0.000 2.472 427 V HA 0.439 4.558 4.120 -0.001 0.000 0.290 427 V C -0.069 175.568 176.094 -0.762 0.000 1.037 427 V CA -0.631 61.129 62.300 -0.900 0.000 0.908 427 V CB 1.861 32.712 31.823 -1.620 0.000 0.985 427 V HN 0.774 nan 8.190 nan 0.000 0.454 428 D N 2.461 122.491 120.400 -0.617 0.000 2.256 428 D HA 0.589 5.229 4.640 -0.001 0.000 0.246 428 D C -1.250 174.710 176.300 -0.566 0.000 1.042 428 D CA -0.076 53.570 54.000 -0.589 0.000 0.841 428 D CB 2.477 42.772 40.800 -0.841 0.000 1.223 428 D HN 0.299 nan 8.370 nan 0.000 0.470 429 V N 4.012 123.658 119.914 -0.446 0.000 2.531 429 V HA 0.390 4.509 4.120 -0.001 0.000 0.301 429 V C -0.266 175.577 176.094 -0.420 0.000 1.034 429 V CA -0.746 61.322 62.300 -0.387 0.000 0.865 429 V CB 1.828 33.541 31.823 -0.183 0.000 0.995 429 V HN 0.388 nan 8.190 nan 0.000 0.424 430 I N 5.476 125.749 120.570 -0.496 0.000 2.355 430 I HA 0.432 4.601 4.170 -0.001 0.000 0.288 430 I C -0.271 175.738 176.117 -0.180 0.000 0.999 430 I CA -0.014 61.058 61.300 -0.379 0.000 1.163 430 I CB 1.526 39.155 38.000 -0.618 0.000 1.316 430 I HN 0.417 nan 8.210 nan 0.000 0.454 431 L N 6.186 127.326 121.223 -0.139 0.000 2.264 431 L HA 0.492 4.831 4.340 -0.001 0.000 0.289 431 L C -0.203 176.662 176.870 -0.008 0.000 1.044 431 L CA -0.593 54.120 54.840 -0.212 0.000 0.807 431 L CB 1.083 42.882 42.059 -0.433 0.000 1.192 431 L HN 0.488 nan 8.230 nan 0.000 0.425 432 Q N 3.356 123.148 119.800 -0.013 0.000 2.333 432 Q HA 0.316 4.655 4.340 -0.001 0.000 0.265 432 Q C -0.675 175.324 176.000 -0.003 0.000 0.989 432 Q CA -0.320 55.521 55.803 0.063 0.000 0.842 432 Q CB 1.276 29.997 28.738 -0.029 0.000 1.262 432 Q HN 0.458 nan 8.270 nan 0.000 0.451 433 N N 1.906 120.667 118.700 0.103 0.000 2.463 433 N HA 0.811 5.551 4.740 -0.001 0.000 0.270 433 N C -1.429 174.144 175.510 0.105 0.000 1.205 433 N CA 0.264 53.378 53.050 0.106 0.000 0.974 433 N CB 1.327 39.897 38.487 0.138 0.000 1.197 433 N HN 0.714 nan 8.380 nan 0.000 0.504 434 A N 0.858 123.740 122.820 0.103 0.000 2.515 434 A HA 0.407 4.726 4.320 -0.001 0.000 0.299 434 A C -0.912 176.750 177.584 0.130 0.000 1.179 434 A CA -0.742 51.398 52.037 0.173 0.000 0.656 434 A CB 0.363 19.451 19.000 0.147 0.000 1.306 434 A HN 0.733 nan 8.150 nan 0.000 0.459 435 N N -0.221 118.627 118.700 0.245 0.000 2.525 435 N HA 0.518 5.258 4.740 -0.001 0.000 0.271 435 N C 0.388 175.962 175.510 0.106 0.000 1.194 435 N CA -0.013 53.159 53.050 0.204 0.000 0.964 435 N CB 0.332 38.993 38.487 0.291 0.000 1.126 435 N HN 0.592 nan 8.380 nan 0.000 0.452 436 M N 1.646 121.274 119.600 0.048 0.000 2.066 436 M HA 0.185 4.664 4.480 -0.001 0.000 0.203 436 M C 1.345 177.611 176.300 -0.057 0.000 1.145 436 M CA -0.622 54.652 55.300 -0.044 0.000 1.084 436 M CB 0.235 32.815 32.600 -0.034 0.000 1.177 436 M HN 0.534 nan 8.290 nan 0.000 0.588 437 M N 0.296 119.822 119.600 -0.122 0.000 2.200 437 M HA 0.007 4.486 4.480 -0.001 0.000 0.265 437 M C 0.701 176.975 176.300 -0.043 0.000 1.066 437 M CA 1.275 56.522 55.300 -0.088 0.000 1.127 437 M CB -0.958 31.569 32.600 -0.121 0.000 1.379 437 M HN 0.396 nan 8.290 nan 0.000 0.420 438 K N 2.038 122.416 120.400 -0.037 0.000 2.350 438 K HA 0.047 4.366 4.320 -0.001 0.000 0.279 438 K C -0.466 176.151 176.600 0.029 0.000 1.027 438 K CA 0.029 56.313 56.287 -0.006 0.000 0.969 438 K CB 0.641 33.138 32.500 -0.005 0.000 0.954 438 K HN 0.173 nan 8.250 nan 0.000 0.474 439 E N 2.760 122.981 120.200 0.035 0.000 2.414 439 E HA -0.099 4.251 4.350 -0.001 0.000 0.263 439 E C -0.469 176.185 176.600 0.091 0.000 1.000 439 E CA 0.484 56.918 56.400 0.057 0.000 0.914 439 E CB 0.106 29.830 29.700 0.041 0.000 0.948 439 E HN 0.658 nan 8.360 nan 0.000 0.444 440 N N 0.988 119.770 118.700 0.137 0.000 2.756 440 N HA -0.220 4.519 4.740 -0.001 0.000 0.248 440 N C -1.485 174.167 175.510 0.236 0.000 1.062 440 N CA 0.107 53.278 53.050 0.202 0.000 0.696 440 N CB -0.721 37.846 38.487 0.133 0.000 0.946 440 N HN 0.184 nan 8.380 nan 0.000 0.548 441 L N -0.229 121.119 121.223 0.209 0.000 2.436 441 L HA 0.787 5.126 4.340 -0.001 0.000 0.268 441 L C -0.896 175.963 176.870 -0.019 0.000 0.974 441 L CA -0.467 54.444 54.840 0.119 0.000 0.826 441 L CB 2.282 44.392 42.059 0.085 0.000 1.291 441 L HN 0.015 nan 8.230 nan 0.000 0.406 442 S N 3.141 118.718 115.700 -0.205 0.000 2.540 442 S HA 0.717 5.186 4.470 -0.001 0.000 0.275 442 S C -1.132 173.363 174.600 -0.175 0.000 1.123 442 S CA -0.561 57.433 58.200 -0.343 0.000 0.907 442 S CB 1.323 63.862 63.200 -1.101 0.000 1.081 442 S HN 0.755 nan 8.310 nan 0.000 0.476 443 E N 0.911 121.077 120.200 -0.056 0.000 2.316 443 E HA 0.495 4.844 4.350 -0.001 0.000 0.258 443 E C -0.571 175.881 176.600 -0.247 0.000 0.952 443 E CA -1.012 55.332 56.400 -0.094 0.000 0.818 443 E CB 1.501 31.165 29.700 -0.061 0.000 1.260 443 E HN 0.705 nan 8.360 nan 0.000 0.416 444 T N -0.913 113.513 114.554 -0.214 0.000 2.897 444 T HA 0.279 4.628 4.350 -0.001 0.000 0.294 444 T C -0.365 174.083 174.700 -0.419 0.000 1.004 444 T CA -0.556 61.400 62.100 -0.240 0.000 1.106 444 T CB 0.491 69.310 68.868 -0.082 0.000 0.949 444 T HN 0.339 nan 8.240 nan 0.000 0.520 445 H N 3.195 122.233 119.070 -0.054 0.000 2.744 445 H HA 0.343 4.899 4.556 -0.001 0.000 0.339 445 H C -2.726 172.598 175.328 -0.007 0.000 1.004 445 H CA -1.910 54.125 56.048 -0.022 0.000 1.257 445 H CB 2.267 32.046 29.762 0.028 0.000 1.552 445 H HN 0.530 nan 8.280 nan 0.000 0.522 446 P HA 0.024 nan 4.420 nan 0.000 0.280 446 P C -0.589 176.749 177.300 0.064 0.000 1.300 446 P CA -0.223 62.920 63.100 0.070 0.000 0.785 446 P CB 0.370 32.126 31.700 0.093 0.000 0.874 447 W N 3.087 124.418 121.300 0.052 0.000 2.417 447 W HA 0.327 4.986 4.660 -0.001 0.000 0.317 447 W C 0.595 177.235 176.519 0.200 0.000 1.121 447 W CA 0.343 57.683 57.345 -0.008 0.000 1.208 447 W CB 0.931 30.305 29.460 -0.142 0.000 1.253 447 W HN 0.436 nan 8.180 nan 0.000 0.533 448 H N 3.452 122.623 119.070 0.168 0.000 2.529 448 H HA 0.527 5.082 4.556 -0.001 0.000 0.348 448 H C -1.554 174.021 175.328 0.413 0.000 1.079 448 H CA -0.796 55.404 56.048 0.253 0.000 1.198 448 H CB 1.137 30.999 29.762 0.166 0.000 1.521 448 H HN 0.447 nan 8.280 nan 0.000 0.514 449 L N 5.964 127.102 121.223 -0.141 0.000 2.296 449 L HA 0.349 4.689 4.340 -0.001 0.000 0.286 449 L C -0.253 176.337 176.870 -0.465 0.000 1.023 449 L CA -0.677 54.073 54.840 -0.150 0.000 0.812 449 L CB 0.674 42.625 42.059 -0.179 0.000 1.223 449 L HN 0.760 nan 8.230 nan 0.000 0.421 450 H N 2.969 121.844 119.070 -0.324 0.000 2.562 450 H HA 0.148 4.703 4.556 -0.001 0.000 0.352 450 H C 0.890 175.984 175.328 -0.389 0.000 1.125 450 H CA 0.522 56.457 56.048 -0.189 0.000 1.379 450 H CB 1.522 31.357 29.762 0.123 0.000 1.464 450 H HN 0.930 nan 8.280 nan 0.000 0.563 451 G N 1.994 110.427 108.800 -0.612 0.000 2.155 451 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.257 451 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.257 451 G C -0.354 173.761 174.900 -1.308 0.000 0.983 451 G CA 0.719 44.925 45.100 -1.490 0.000 0.676 451 G HN 0.856 nan 8.290 nan 0.000 0.528 452 H N -1.245 117.444 119.070 -0.635 0.000 3.014 452 H HA 0.626 5.181 4.556 -0.001 0.000 0.337 452 H C -1.351 173.693 175.328 -0.474 0.000 1.320 452 H CA -0.826 54.922 56.048 -0.501 0.000 1.128 452 H CB 1.281 30.744 29.762 -0.498 0.000 1.862 452 H HN 0.092 nan 8.280 nan 0.000 0.536 453 D N 0.535 120.748 120.400 -0.312 0.000 2.433 453 D HA 0.394 5.033 4.640 -0.001 0.000 0.236 453 D C -0.798 175.229 176.300 -0.454 0.000 1.026 453 D CA -0.404 53.293 54.000 -0.504 0.000 0.884 453 D CB 2.050 42.573 40.800 -0.462 0.000 1.384 453 D HN 0.277 nan 8.370 nan 0.000 0.477 454 F N -1.736 118.023 119.950 -0.318 0.000 2.640 454 F HA 0.648 5.175 4.527 -0.001 0.000 0.324 454 F C -0.807 174.831 175.800 -0.270 0.000 1.077 454 F CA -1.468 56.385 58.000 -0.246 0.000 0.965 454 F CB 0.946 39.899 39.000 -0.079 0.000 1.351 454 F HN 0.152 nan 8.300 nan 0.000 0.487 455 W N 1.497 122.981 121.300 0.306 0.000 2.390 455 W HA 0.547 5.206 4.660 -0.001 0.000 0.312 455 W C -1.037 175.609 176.519 0.212 0.000 1.123 455 W CA -1.034 56.427 57.345 0.193 0.000 1.202 455 W CB 1.986 31.508 29.460 0.103 0.000 1.251 455 W HN 0.199 nan 8.180 nan 0.000 0.511 456 V N 5.894 126.025 119.914 0.362 0.000 2.370 456 V HA -0.091 4.028 4.120 -0.001 0.000 0.257 456 V C 1.043 177.186 176.094 0.081 0.000 1.064 456 V CA -0.104 62.296 62.300 0.167 0.000 0.975 456 V CB 0.367 32.274 31.823 0.139 0.000 1.067 456 V HN 0.428 nan 8.190 nan 0.000 0.485 457 L N 4.222 125.465 121.223 0.034 0.000 2.141 457 L HA 0.307 4.646 4.340 -0.001 0.000 0.209 457 L C 1.234 178.098 176.870 -0.009 0.000 1.094 457 L CA 1.749 56.606 54.840 0.029 0.000 0.763 457 L CB -0.779 41.295 42.059 0.025 0.000 0.908 457 L HN 0.846 nan 8.230 nan 0.000 0.437 458 G N -3.504 105.211 108.800 -0.142 0.000 2.322 458 G HA2 0.370 4.329 3.960 -0.001 0.000 0.295 458 G HA3 0.370 4.329 3.960 -0.001 0.000 0.295 458 G C -2.082 172.474 174.900 -0.572 0.000 1.369 458 G CA -0.690 44.282 45.100 -0.212 0.000 0.821 458 G HN -0.189 nan 8.290 nan 0.000 0.536 459 Y N -1.046 118.918 120.300 -0.560 0.000 2.534 459 Y HA 0.794 5.343 4.550 -0.001 0.000 0.345 459 Y C 0.640 175.876 175.900 -1.107 0.000 1.031 459 Y CA -0.169 57.426 58.100 -0.841 0.000 1.022 459 Y CB 2.581 40.712 38.460 -0.550 0.000 1.292 459 Y HN 1.084 nan 8.280 nan 0.000 0.459 460 G N 0.452 108.419 108.800 -1.387 0.000 2.682 460 G HA2 0.556 4.515 3.960 -0.001 0.000 0.290 460 G HA3 0.556 4.515 3.960 -0.001 0.000 0.290 460 G C -2.028 172.641 174.900 -0.384 0.000 1.425 460 G CA -0.939 43.705 45.100 -0.761 0.000 0.807 460 G HN 0.484 nan 8.290 nan 0.000 0.482 461 D N -0.667 119.775 120.400 0.070 0.000 2.181 461 D HA 0.598 5.237 4.640 -0.001 0.000 0.248 461 D C 0.880 177.371 176.300 0.318 0.000 1.020 461 D CA 1.108 55.211 54.000 0.171 0.000 0.891 461 D CB 1.661 42.546 40.800 0.142 0.000 1.187 461 D HN 0.992 nan 8.370 nan 0.000 0.443 462 G N 1.035 110.024 108.800 0.316 0.000 2.598 462 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 462 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 462 G C -0.309 174.870 174.900 0.466 0.000 1.302 462 G CA -0.504 44.792 45.100 0.326 0.000 0.903 462 G HN 0.628 nan 8.290 nan 0.000 0.575 463 K N -0.534 120.079 120.400 0.355 0.000 2.218 463 K HA 0.534 4.853 4.320 -0.001 0.000 0.276 463 K C 0.196 176.942 176.600 0.243 0.000 1.022 463 K CA -0.605 55.886 56.287 0.339 0.000 0.946 463 K CB 0.456 33.108 32.500 0.253 0.000 1.000 463 K HN 0.507 nan 8.250 nan 0.000 0.468 464 F N 2.808 122.714 119.950 -0.073 0.000 2.471 464 F HA 0.147 4.673 4.527 -0.001 0.000 0.353 464 F C -0.110 175.536 175.800 -0.256 0.000 1.113 464 F CA 0.374 58.051 58.000 -0.537 0.000 1.262 464 F CB 0.666 39.225 39.000 -0.736 0.000 1.146 464 F HN 0.534 nan 8.300 nan 0.000 0.578 465 S N 3.930 119.012 115.700 -1.030 0.000 2.599 465 S HA 0.705 5.175 4.470 -0.001 0.000 0.287 465 S C 0.320 174.345 174.600 -0.959 0.000 1.105 465 S CA -0.464 57.329 58.200 -0.678 0.000 0.899 465 S CB 1.350 64.344 63.200 -0.343 0.000 1.100 465 S HN 1.019 nan 8.310 nan 0.000 0.482 466 A N 0.873 123.412 122.820 -0.470 0.000 2.024 466 A HA -0.052 4.267 4.320 -0.001 0.000 0.220 466 A C 1.670 179.110 177.584 -0.240 0.000 1.164 466 A CA 1.287 53.163 52.037 -0.268 0.000 0.643 466 A CB -0.745 18.207 19.000 -0.080 0.000 0.806 466 A HN 0.814 nan 8.150 nan 0.000 0.451 467 E N -0.139 119.918 120.200 -0.238 0.000 2.515 467 E HA -0.121 4.228 4.350 -0.001 0.000 0.201 467 E C 1.205 177.712 176.600 -0.155 0.000 1.071 467 E CA 0.756 57.066 56.400 -0.150 0.000 0.880 467 E CB -0.134 29.499 29.700 -0.112 0.000 0.828 467 E HN 0.730 nan 8.360 nan 0.000 0.540 468 E N 0.541 120.564 120.200 -0.295 0.000 2.481 468 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 468 E C 1.515 178.111 176.600 -0.007 0.000 1.047 468 E CA 0.140 56.426 56.400 -0.190 0.000 0.867 468 E CB 0.165 29.570 29.700 -0.492 0.000 0.858 468 E HN 0.052 nan 8.360 nan 0.000 0.513 469 E N -0.093 120.105 120.200 -0.003 0.000 2.070 469 E HA -0.198 4.151 4.350 -0.001 0.000 0.197 469 E C 1.630 178.282 176.600 0.086 0.000 1.004 469 E CA 1.760 58.212 56.400 0.086 0.000 0.805 469 E CB -0.206 29.538 29.700 0.074 0.000 0.744 469 E HN 0.273 nan 8.360 nan 0.000 0.451 470 S N -0.573 115.163 115.700 0.059 0.000 2.493 470 S HA -0.160 4.309 4.470 -0.001 0.000 0.243 470 S C 1.860 176.506 174.600 0.076 0.000 0.991 470 S CA 0.997 59.231 58.200 0.057 0.000 0.957 470 S CB -0.405 62.818 63.200 0.039 0.000 0.756 470 S HN 0.325 nan 8.310 nan 0.000 0.521 471 S N 1.015 116.782 115.700 0.111 0.000 2.503 471 S HA 0.277 4.746 4.470 -0.001 0.000 0.217 471 S C 0.569 175.245 174.600 0.126 0.000 0.999 471 S CA -0.425 57.849 58.200 0.124 0.000 0.914 471 S CB -0.583 62.718 63.200 0.169 0.000 0.782 471 S HN 0.435 nan 8.310 nan 0.000 0.520 472 L N 3.392 124.700 121.223 0.142 0.000 2.477 472 L HA 0.213 4.553 4.340 -0.001 0.000 0.272 472 L C 0.425 177.338 176.870 0.072 0.000 1.157 472 L CA -0.318 54.596 54.840 0.123 0.000 0.889 472 L CB -0.158 41.978 42.059 0.127 0.000 1.158 472 L HN 0.179 nan 8.230 nan 0.000 0.473 473 N N 4.441 123.177 118.700 0.061 0.000 2.549 473 N HA 0.089 4.828 4.740 -0.001 0.000 0.267 473 N C 0.487 176.010 175.510 0.021 0.000 1.182 473 N CA 0.117 53.194 53.050 0.045 0.000 1.019 473 N CB 0.378 38.898 38.487 0.054 0.000 1.380 473 N HN 0.565 nan 8.380 nan 0.000 0.505 474 L N 1.585 122.807 121.223 -0.001 0.000 2.591 474 L HA 0.110 4.449 4.340 -0.001 0.000 0.228 474 L C 1.838 178.672 176.870 -0.059 0.000 1.133 474 L CA 0.185 54.995 54.840 -0.051 0.000 0.880 474 L CB -0.034 41.994 42.059 -0.052 0.000 1.033 474 L HN 0.346 nan 8.230 nan 0.000 0.450 475 K N 0.571 120.962 120.400 -0.015 0.000 2.190 475 K HA 0.022 4.342 4.320 -0.001 0.000 0.202 475 K C 1.272 177.885 176.600 0.022 0.000 1.045 475 K CA 1.062 57.348 56.287 -0.001 0.000 0.976 475 K CB 0.267 32.776 32.500 0.014 0.000 0.849 475 K HN -0.037 nan 8.250 nan 0.000 0.468 476 N N 0.569 119.298 118.700 0.049 0.000 2.377 476 N HA 0.249 4.988 4.740 -0.001 0.000 0.259 476 N C -2.849 172.741 175.510 0.133 0.000 1.332 476 N CA -1.728 51.374 53.050 0.088 0.000 0.877 476 N CB 0.886 39.420 38.487 0.079 0.000 1.299 476 N HN 0.114 nan 8.380 nan 0.000 0.501 477 P HA 0.212 nan 4.420 nan 0.000 0.271 477 P C -2.769 174.720 177.300 0.317 0.000 1.220 477 P CA -0.864 62.368 63.100 0.220 0.000 0.768 477 P CB 0.655 32.484 31.700 0.216 0.000 0.848 478 P HA 0.144 nan 4.420 nan 0.000 0.272 478 P C -0.433 176.955 177.300 0.148 0.000 1.223 478 P CA 0.021 63.242 63.100 0.201 0.000 0.784 478 P CB 0.746 32.554 31.700 0.180 0.000 0.923 479 L N 3.306 124.534 121.223 0.009 0.000 2.264 479 L HA 0.428 4.767 4.340 -0.001 0.000 0.289 479 L C 1.166 177.899 176.870 -0.227 0.000 1.044 479 L CA -0.093 54.613 54.840 -0.224 0.000 0.807 479 L CB 0.584 42.467 42.059 -0.294 0.000 1.192 479 L HN 0.336 nan 8.230 nan 0.000 0.425 480 R N 1.478 121.746 120.500 -0.387 0.000 2.831 480 R HA 0.362 4.701 4.340 -0.001 0.000 0.266 480 R C -0.228 175.528 176.300 -0.908 0.000 1.051 480 R CA -0.756 55.080 56.100 -0.441 0.000 0.943 480 R CB 1.628 31.820 30.300 -0.180 0.000 1.228 480 R HN 0.685 nan 8.270 nan 0.000 0.467 481 N N -1.871 116.478 118.700 -0.585 0.000 2.193 481 N HA 0.062 4.801 4.740 -0.001 0.000 0.210 481 N C -0.772 174.726 175.510 -0.020 0.000 1.215 481 N CA -0.070 52.657 53.050 -0.538 0.000 0.901 481 N CB 1.135 39.497 38.487 -0.209 0.000 1.060 481 N HN 0.247 nan 8.380 nan 0.000 0.508 482 T N 0.221 114.862 114.554 0.144 0.000 2.893 482 T HA 0.617 4.966 4.350 -0.001 0.000 0.293 482 T C -1.629 173.311 174.700 0.398 0.000 1.027 482 T CA -0.697 61.626 62.100 0.371 0.000 0.988 482 T CB 2.523 71.536 68.868 0.241 0.000 1.043 482 T HN -0.050 nan 8.240 nan 0.000 0.461 483 V N 3.295 123.473 119.914 0.440 0.000 2.851 483 V HA 0.705 4.825 4.120 -0.001 0.000 0.307 483 V C -0.934 175.291 176.094 0.219 0.000 1.129 483 V CA -0.756 61.757 62.300 0.356 0.000 0.932 483 V CB 2.071 34.122 31.823 0.380 0.000 1.024 483 V HN 0.865 nan 8.190 nan 0.000 0.426 484 V N 5.293 125.250 119.914 0.072 0.000 2.743 484 V HA 0.664 4.784 4.120 -0.001 0.000 0.301 484 V C 0.097 176.149 176.094 -0.070 0.000 1.057 484 V CA -0.642 61.554 62.300 -0.173 0.000 1.006 484 V CB 1.422 32.754 31.823 -0.818 0.000 1.024 484 V HN 0.839 nan 8.190 nan 0.000 0.473 485 I N -0.025 120.512 120.570 -0.055 0.000 2.377 485 I HA 0.614 4.783 4.170 -0.001 0.000 0.293 485 I C -0.628 175.401 176.117 -0.146 0.000 0.987 485 I CA -0.385 60.930 61.300 0.025 0.000 1.185 485 I CB 1.113 39.188 38.000 0.125 0.000 1.341 485 I HN 0.438 nan 8.210 nan 0.000 0.455 486 F N 4.801 124.784 119.950 0.055 0.000 2.370 486 F HA 0.476 5.002 4.527 -0.001 0.000 0.319 486 F C -1.951 173.782 175.800 -0.113 0.000 1.129 486 F CA -2.180 55.793 58.000 -0.047 0.000 1.109 486 F CB 0.215 39.202 39.000 -0.022 0.000 1.262 486 F HN 0.268 nan 8.300 nan 0.000 0.534 487 P HA -0.059 nan 4.420 nan 0.000 0.261 487 P C -1.102 176.174 177.300 -0.039 0.000 1.183 487 P CA 0.749 63.691 63.100 -0.264 0.000 0.761 487 P CB -0.153 31.253 31.700 -0.491 0.000 0.785 488 Y N 0.019 120.366 120.300 0.078 0.000 4.177 488 Y HA -0.194 4.355 4.550 -0.001 0.000 0.227 488 Y C 1.154 177.147 175.900 0.155 0.000 1.154 488 Y CA 1.311 59.479 58.100 0.113 0.000 1.887 488 Y CB -2.152 36.357 38.460 0.083 0.000 1.594 488 Y HN 0.514 nan 8.280 nan 0.000 0.668 489 G N -1.249 107.705 108.800 0.258 0.000 2.818 489 G HA2 0.689 4.649 3.960 -0.001 0.000 0.286 489 G HA3 0.689 4.649 3.960 -0.001 0.000 0.286 489 G C -0.783 174.291 174.900 0.290 0.000 1.364 489 G CA -0.509 44.740 45.100 0.248 0.000 0.938 489 G HN 0.413 nan 8.290 nan 0.000 0.490 490 W N -0.727 120.718 121.300 0.242 0.000 2.820 490 W HA 0.801 5.460 4.660 -0.001 0.000 0.350 490 W C -1.495 175.123 176.519 0.164 0.000 1.116 490 W CA -1.161 56.289 57.345 0.176 0.000 1.146 490 W CB 1.026 30.619 29.460 0.222 0.000 1.433 490 W HN 0.547 nan 8.180 nan 0.000 0.561 491 T N 1.444 116.142 114.554 0.240 0.000 2.952 491 T HA 0.596 4.945 4.350 -0.001 0.000 0.305 491 T C -1.008 173.729 174.700 0.062 0.000 1.064 491 T CA -0.367 61.712 62.100 -0.035 0.000 1.008 491 T CB 1.715 70.516 68.868 -0.112 0.000 1.078 491 T HN 0.647 nan 8.240 nan 0.000 0.459 492 A N 3.202 126.030 122.820 0.012 0.000 2.331 492 A HA 0.930 5.249 4.320 -0.001 0.000 0.320 492 A C -0.417 177.064 177.584 -0.171 0.000 1.138 492 A CA -0.829 51.162 52.037 -0.077 0.000 0.790 492 A CB 0.325 19.328 19.000 0.005 0.000 1.206 492 A HN 0.930 nan 8.150 nan 0.000 0.470 493 I N -0.766 119.663 120.570 -0.234 0.000 2.934 493 I HA 0.886 5.055 4.170 -0.001 0.000 0.306 493 I C -0.508 175.539 176.117 -0.117 0.000 1.110 493 I CA -1.098 60.075 61.300 -0.211 0.000 1.019 493 I CB 2.217 39.855 38.000 -0.603 0.000 1.227 493 I HN 0.695 nan 8.210 nan 0.000 0.434 494 R N 3.461 124.017 120.500 0.093 0.000 2.621 494 R HA 0.724 5.063 4.340 -0.001 0.000 0.284 494 R C -1.968 174.580 176.300 0.413 0.000 0.998 494 R CA -0.449 55.717 56.100 0.111 0.000 0.895 494 R CB 1.955 32.300 30.300 0.075 0.000 1.195 494 R HN 0.798 nan 8.270 nan 0.000 0.450 495 F N 0.508 120.501 119.950 0.073 0.000 2.754 495 F HA 0.714 5.240 4.527 -0.001 0.000 0.320 495 F C -1.793 174.014 175.800 0.010 0.000 1.156 495 F CA -1.169 56.877 58.000 0.076 0.000 0.950 495 F CB 0.930 39.852 39.000 -0.131 0.000 1.388 495 F HN 0.067 nan 8.300 nan 0.000 0.485 496 V N 1.306 121.305 119.914 0.141 0.000 2.555 496 V HA 0.702 4.821 4.120 -0.001 0.000 0.302 496 V C 0.075 176.227 176.094 0.097 0.000 1.038 496 V CA -0.713 61.584 62.300 -0.006 0.000 0.887 496 V CB 1.436 33.328 31.823 0.115 0.000 0.991 496 V HN 1.115 nan 8.190 nan 0.000 0.434 497 A N 2.837 125.632 122.820 -0.042 0.000 3.037 497 A HA 0.369 4.688 4.320 -0.001 0.000 0.272 497 A C 0.549 178.264 177.584 0.219 0.000 1.723 497 A CA -0.099 52.026 52.037 0.147 0.000 1.413 497 A CB -0.701 18.316 19.000 0.027 0.000 1.112 497 A HN 0.917 nan 8.150 nan 0.000 0.606 498 D N -0.416 120.139 120.400 0.259 0.000 2.501 498 D HA 0.065 4.705 4.640 -0.001 0.000 0.224 498 D C -0.214 176.172 176.300 0.143 0.000 1.202 498 D CA -0.248 53.852 54.000 0.167 0.000 0.829 498 D CB -0.027 40.843 40.800 0.117 0.000 1.023 498 D HN 0.240 nan 8.370 nan 0.000 0.499 499 N N 1.097 119.913 118.700 0.194 0.000 2.609 499 N HA 0.298 5.038 4.740 -0.001 0.000 0.268 499 N C -3.029 172.703 175.510 0.369 0.000 1.106 499 N CA -1.870 51.267 53.050 0.144 0.000 0.823 499 N CB 1.719 40.108 38.487 -0.164 0.000 1.263 499 N HN -0.240 nan 8.380 nan 0.000 0.533 500 P HA 0.250 nan 4.420 nan 0.000 0.260 500 P C 0.127 177.568 177.300 0.235 0.000 1.185 500 P CA 0.497 63.745 63.100 0.247 0.000 0.763 500 P CB 0.536 32.327 31.700 0.152 0.000 0.776 501 G N 1.154 110.004 108.800 0.084 0.000 2.323 501 G HA2 0.345 4.304 3.960 -0.001 0.000 0.291 501 G HA3 0.345 4.304 3.960 -0.001 0.000 0.291 501 G C -1.960 172.598 174.900 -0.570 0.000 1.278 501 G CA -0.555 44.304 45.100 -0.401 0.000 0.860 501 G HN 0.293 nan 8.290 nan 0.000 0.504 502 V N 0.143 119.487 119.914 -0.950 0.000 2.443 502 V HA 0.679 4.798 4.120 -0.001 0.000 0.293 502 V C -1.220 174.415 176.094 -0.766 0.000 1.021 502 V CA -0.316 61.634 62.300 -0.584 0.000 0.848 502 V CB 1.236 32.866 31.823 -0.322 0.000 0.998 502 V HN 0.665 nan 8.190 nan 0.000 0.424 503 W N 2.604 123.957 121.300 0.089 0.000 2.702 503 W HA 0.803 5.462 4.660 -0.001 0.000 0.331 503 W C 0.115 176.604 176.519 -0.050 0.000 1.049 503 W CA -0.740 56.636 57.345 0.050 0.000 1.230 503 W CB 1.995 31.569 29.460 0.190 0.000 1.408 503 W HN 0.651 nan 8.180 nan 0.000 0.492 504 A N 2.961 125.764 122.820 -0.029 0.000 2.327 504 A HA 0.710 5.030 4.320 -0.001 0.000 0.283 504 A C -1.674 175.965 177.584 0.093 0.000 1.127 504 A CA -0.250 51.727 52.037 -0.100 0.000 0.810 504 A CB 0.475 19.268 19.000 -0.345 0.000 1.066 504 A HN 0.553 nan 8.150 nan 0.000 0.492 505 F N 3.452 123.346 119.950 -0.094 0.000 2.659 505 F HA 0.566 5.093 4.527 -0.001 0.000 0.342 505 F C -0.534 175.319 175.800 0.090 0.000 1.168 505 F CA -0.943 56.985 58.000 -0.120 0.000 1.003 505 F CB 0.938 39.602 39.000 -0.560 0.000 1.267 505 F HN 0.880 nan 8.300 nan 0.000 0.463 506 H N 1.830 120.787 119.070 -0.189 0.000 2.990 506 H HA 0.507 5.062 4.556 -0.001 0.000 0.343 506 H C -1.208 173.468 175.328 -1.088 0.000 1.270 506 H CA -1.395 54.261 56.048 -0.653 0.000 1.118 506 H CB 0.989 30.589 29.762 -0.270 0.000 1.861 506 H HN 0.594 nan 8.280 nan 0.000 0.544 507 C N 2.271 120.753 119.300 -1.363 0.000 2.629 507 C HA 0.071 4.530 4.460 -0.001 0.000 0.410 507 C C 1.650 176.466 174.990 -0.290 0.000 1.339 507 C CA -0.130 58.243 59.018 -1.074 0.000 1.810 507 C CB -1.296 25.920 27.740 -0.873 0.000 2.549 507 C HN 1.033 nan 8.230 nan 0.000 0.589 508 H N 3.938 122.868 119.070 -0.234 0.000 2.567 508 H HA 0.119 4.674 4.556 -0.001 0.000 0.276 508 H C 0.587 175.877 175.328 -0.064 0.000 1.016 508 H CA 0.766 56.813 56.048 -0.002 0.000 1.186 508 H CB 0.130 29.912 29.762 0.034 0.000 1.351 508 H HN 0.664 nan 8.280 nan 0.000 0.605 509 I N 2.029 122.527 120.570 -0.121 0.000 2.379 509 I HA -0.086 4.083 4.170 -0.001 0.000 0.290 509 I C 1.605 177.577 176.117 -0.240 0.000 1.063 509 I CA -0.112 61.052 61.300 -0.225 0.000 1.351 509 I CB 1.385 39.100 38.000 -0.475 0.000 1.410 509 I HN 0.117 nan 8.210 nan 0.000 0.505 510 E N 9.081 129.146 120.200 -0.225 0.000 2.065 510 E HA -0.201 4.148 4.350 -0.001 0.000 0.201 510 E C -0.806 175.708 176.600 -0.142 0.000 1.016 510 E CA 2.241 58.511 56.400 -0.218 0.000 0.818 510 E CB -0.871 28.691 29.700 -0.230 0.000 0.749 510 E HN 0.486 nan 8.360 nan 0.000 0.453 511 P HA -0.183 nan 4.420 nan 0.000 0.215 511 P C 0.901 178.356 177.300 0.258 0.000 1.153 511 P CA 1.827 64.949 63.100 0.035 0.000 0.853 511 P CB -0.309 31.422 31.700 0.052 0.000 0.788 512 H N -0.933 118.147 119.070 0.017 0.000 2.353 512 H HA -0.093 4.462 4.556 -0.001 0.000 0.300 512 H C 2.163 177.433 175.328 -0.096 0.000 1.090 512 H CA 0.499 56.457 56.048 -0.150 0.000 1.327 512 H CB -0.383 29.087 29.762 -0.486 0.000 1.383 512 H HN 0.014 nan 8.280 nan 0.000 0.508 513 L N 0.718 121.941 121.223 -0.001 0.000 2.046 513 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 513 L C 2.301 179.174 176.870 0.005 0.000 1.077 513 L CA 1.936 56.739 54.840 -0.061 0.000 0.747 513 L CB -0.803 41.149 42.059 -0.178 0.000 0.896 513 L HN 0.256 nan 8.230 nan 0.000 0.432 514 H N -0.894 118.150 119.070 -0.042 0.000 2.422 514 H HA -0.113 4.443 4.556 -0.001 0.000 0.298 514 H C 1.644 176.998 175.328 0.044 0.000 1.098 514 H CA 2.014 58.050 56.048 -0.020 0.000 1.315 514 H CB -0.044 29.695 29.762 -0.037 0.000 1.382 514 H HN 0.391 nan 8.280 nan 0.000 0.523 515 M N -0.690 119.041 119.600 0.219 0.000 2.530 515 M HA 0.186 4.666 4.480 -0.001 0.000 0.231 515 M C 1.142 177.553 176.300 0.185 0.000 1.180 515 M CA 0.654 56.096 55.300 0.236 0.000 0.985 515 M CB 1.128 33.995 32.600 0.445 0.000 1.623 515 M HN 0.554 nan 8.290 nan 0.000 0.475 516 G N 0.843 109.703 108.800 0.100 0.000 2.179 516 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 516 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 516 G C 0.263 175.229 174.900 0.110 0.000 0.990 516 G CA -0.359 44.796 45.100 0.091 0.000 0.646 516 G HN 0.472 nan 8.290 nan 0.000 0.517 517 M N 1.658 121.311 119.600 0.088 0.000 3.042 517 M HA 0.485 4.964 4.480 -0.001 0.000 0.283 517 M C 0.650 176.873 176.300 -0.128 0.000 1.473 517 M CA 1.198 56.499 55.300 0.002 0.000 1.583 517 M CB -0.695 31.787 32.600 -0.196 0.000 1.221 517 M HN 0.714 nan 8.290 nan 0.000 0.518 518 G N 1.697 110.510 108.800 0.022 0.000 2.466 518 G HA2 0.524 4.483 3.960 -0.001 0.000 0.291 518 G HA3 0.524 4.483 3.960 -0.001 0.000 0.291 518 G C -1.697 173.308 174.900 0.175 0.000 1.460 518 G CA -0.476 44.641 45.100 0.029 0.000 0.791 518 G HN 0.586 nan 8.290 nan 0.000 0.505 519 V N -2.882 117.150 119.914 0.197 0.000 3.158 519 V HA 0.946 5.066 4.120 -0.001 0.000 0.311 519 V C -0.635 175.543 176.094 0.141 0.000 1.181 519 V CA -1.191 61.258 62.300 0.248 0.000 1.054 519 V CB 1.577 33.652 31.823 0.420 0.000 1.085 519 V HN 1.008 nan 8.190 nan 0.000 0.446 520 V N 1.369 121.391 119.914 0.180 0.000 2.588 520 V HA 0.611 4.731 4.120 -0.001 0.000 0.304 520 V C -1.172 175.143 176.094 0.369 0.000 1.042 520 V CA -0.200 62.137 62.300 0.062 0.000 0.877 520 V CB 1.497 33.149 31.823 -0.284 0.000 0.996 520 V HN 0.715 nan 8.190 nan 0.000 0.425 521 F N 2.718 122.777 119.950 0.181 0.000 2.458 521 F HA 0.855 5.382 4.527 -0.001 0.000 0.336 521 F C 0.423 176.308 175.800 0.141 0.000 1.114 521 F CA -1.494 56.666 58.000 0.266 0.000 0.987 521 F CB 1.874 41.182 39.000 0.513 0.000 1.130 521 F HN 0.583 nan 8.300 nan 0.000 0.458 522 A N 3.747 126.683 122.820 0.193 0.000 2.371 522 A HA 0.766 5.085 4.320 -0.001 0.000 0.311 522 A C -0.875 176.812 177.584 0.172 0.000 1.068 522 A CA -0.559 51.534 52.037 0.094 0.000 0.744 522 A CB 1.569 20.546 19.000 -0.039 0.000 1.239 522 A HN 0.762 nan 8.150 nan 0.000 0.435 523 E N 0.975 121.322 120.200 0.246 0.000 2.343 523 E HA 0.514 4.863 4.350 -0.001 0.000 0.278 523 E C 0.353 177.077 176.600 0.206 0.000 0.910 523 E CA -0.568 55.999 56.400 0.278 0.000 0.757 523 E CB 1.282 31.249 29.700 0.444 0.000 1.218 523 E HN 1.971 nan 8.360 nan 0.000 0.435 524 G N 1.857 110.750 108.800 0.155 0.000 2.337 524 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.290 524 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.290 524 G C 0.799 175.751 174.900 0.087 0.000 1.003 524 G CA 0.617 45.788 45.100 0.118 0.000 0.825 524 G HN 0.422 nan 8.290 nan 0.000 0.509 525 V N 0.943 120.896 119.914 0.064 0.000 2.453 525 V HA -0.207 3.912 4.120 -0.001 0.000 0.252 525 V C 2.643 178.747 176.094 0.017 0.000 1.068 525 V CA 2.495 64.813 62.300 0.031 0.000 1.070 525 V CB -0.202 31.631 31.823 0.017 0.000 0.664 525 V HN 0.817 nan 8.190 nan 0.000 0.461 526 E N 0.130 120.342 120.200 0.019 0.000 2.516 526 E HA -0.169 4.181 4.350 -0.001 0.000 0.199 526 E C 1.359 177.968 176.600 0.015 0.000 1.069 526 E CA 0.703 57.105 56.400 0.004 0.000 0.876 526 E CB -0.178 29.526 29.700 0.007 0.000 0.843 526 E HN 0.434 nan 8.360 nan 0.000 0.530 527 K N 0.665 121.086 120.400 0.035 0.000 2.358 527 K HA 0.216 4.535 4.320 -0.001 0.000 0.200 527 K C 0.090 176.724 176.600 0.057 0.000 1.030 527 K CA -0.217 56.098 56.287 0.046 0.000 1.097 527 K CB 1.139 33.676 32.500 0.062 0.000 0.862 527 K HN -0.000 nan 8.250 nan 0.000 0.534 528 V N 1.368 121.313 119.914 0.052 0.000 2.614 528 V HA 0.131 4.251 4.120 -0.001 0.000 0.291 528 V C 1.422 177.559 176.094 0.073 0.000 1.049 528 V CA -0.073 62.274 62.300 0.079 0.000 1.038 528 V CB 1.070 32.932 31.823 0.065 0.000 0.980 528 V HN 0.309 nan 8.190 nan 0.000 0.481 529 G N 4.243 113.114 108.800 0.117 0.000 2.580 529 G HA2 0.149 4.108 3.960 -0.001 0.000 0.225 529 G HA3 0.149 4.108 3.960 -0.001 0.000 0.225 529 G C 0.200 175.138 174.900 0.065 0.000 1.521 529 G CA -0.515 44.638 45.100 0.089 0.000 1.068 529 G HN 0.666 nan 8.290 nan 0.000 0.564 530 R N -0.300 120.218 120.500 0.031 0.000 2.347 530 R HA 0.265 4.604 4.340 -0.001 0.000 0.304 530 R C -0.227 175.999 176.300 -0.124 0.000 1.072 530 R CA -0.226 55.859 56.100 -0.025 0.000 0.980 530 R CB 0.009 30.276 30.300 -0.056 0.000 0.986 530 R HN 0.298 nan 8.270 nan 0.000 0.448 531 I N 7.193 127.717 120.570 -0.076 0.000 2.428 531 I HA 0.222 4.391 4.170 -0.001 0.000 0.289 531 I C -1.734 174.231 176.117 -0.254 0.000 1.019 531 I CA -2.382 58.821 61.300 -0.161 0.000 1.351 531 I CB 1.268 39.319 38.000 0.086 0.000 1.412 531 I HN 0.475 nan 8.210 nan 0.000 0.513 532 P HA -0.080 nan 4.420 nan 0.000 0.263 532 P C 0.610 177.858 177.300 -0.085 0.000 1.162 532 P CA 0.495 63.407 63.100 -0.313 0.000 0.758 532 P CB 0.382 31.848 31.700 -0.390 0.000 0.773 533 T N 2.081 116.591 114.554 -0.074 0.000 2.867 533 T HA -0.123 4.226 4.350 -0.001 0.000 0.268 533 T C 1.451 176.178 174.700 0.044 0.000 1.057 533 T CA 1.189 63.279 62.100 -0.017 0.000 1.136 533 T CB -0.198 68.649 68.868 -0.035 0.000 0.874 533 T HN 0.447 nan 8.240 nan 0.000 0.466 534 K N 0.987 121.449 120.400 0.103 0.000 2.283 534 K HA 0.118 4.438 4.320 -0.001 0.000 0.202 534 K C 2.377 179.101 176.600 0.205 0.000 1.048 534 K CA 0.859 57.258 56.287 0.186 0.000 0.948 534 K CB -0.102 32.596 32.500 0.331 0.000 0.742 534 K HN 0.277 nan 8.250 nan 0.000 0.458 535 A N 0.160 123.142 122.820 0.271 0.000 2.119 535 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 535 A C 1.666 179.321 177.584 0.119 0.000 1.152 535 A CA 0.901 53.066 52.037 0.212 0.000 0.708 535 A CB 0.051 19.250 19.000 0.331 0.000 0.805 535 A HN 0.091 nan 8.150 nan 0.000 0.460 536 L N -1.456 119.822 121.223 0.091 0.000 2.515 536 L HA 0.313 4.652 4.340 -0.001 0.000 0.223 536 L C 2.102 178.981 176.870 0.015 0.000 1.079 536 L CA 0.948 55.820 54.840 0.053 0.000 0.857 536 L CB -0.520 41.558 42.059 0.031 0.000 1.050 536 L HN 0.288 nan 8.230 nan 0.000 0.476 537 A N -0.322 122.510 122.820 0.020 0.000 2.253 537 A HA 0.208 4.528 4.320 -0.001 0.000 0.225 537 A C 0.536 178.122 177.584 0.003 0.000 1.521 537 A CA 0.460 52.501 52.037 0.007 0.000 1.494 537 A CB -1.833 17.180 19.000 0.022 0.000 0.804 537 A HN 0.511 nan 8.150 nan 0.000 0.614 538 c N -5.013 113.585 118.600 -0.003 0.000 3.321 538 c HA 0.878 5.447 4.570 -0.001 0.000 0.329 538 c C 1.087 175.171 174.090 -0.009 0.000 1.394 538 c CA -0.288 56.037 56.329 -0.006 0.000 1.291 538 c CB 0.879 43.384 42.510 -0.008 0.000 1.606 538 c HN 2.109 nan 8.230 nan 0.000 0.463 539 G N 1.067 109.861 108.800 -0.010 0.000 2.594 539 G HA2 0.148 4.108 3.960 -0.001 0.000 0.297 539 G HA3 0.148 4.108 3.960 -0.001 0.000 0.297 539 G C 1.056 175.955 174.900 -0.001 0.000 1.273 539 G CA 1.067 46.163 45.100 -0.008 0.000 0.974 539 G HN 2.460 nan 8.290 nan 0.000 0.552 540 G N -1.012 107.794 108.800 0.010 0.000 2.442 540 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.219 540 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.219 540 G C 2.035 176.939 174.900 0.006 0.000 1.141 540 G CA 2.828 47.942 45.100 0.022 0.000 0.763 540 G HN 1.818 nan 8.290 nan 0.000 0.554 541 T N 0.135 114.689 114.554 0.000 0.000 2.821 541 T HA 0.172 4.522 4.350 -0.001 0.000 0.267 541 T C 2.615 177.266 174.700 -0.082 0.000 1.046 541 T CA 1.564 63.638 62.100 -0.043 0.000 1.139 541 T CB -0.354 68.509 68.868 -0.008 0.000 0.871 541 T HN 0.344 nan 8.240 nan 0.000 0.454 542 A N 2.549 125.341 122.820 -0.047 0.000 1.841 542 A HA -0.040 4.279 4.320 -0.001 0.000 0.214 542 A C 2.311 179.868 177.584 -0.045 0.000 1.195 542 A CA 2.094 54.103 52.037 -0.046 0.000 0.611 542 A CB -0.780 18.205 19.000 -0.024 0.000 0.835 542 A HN 0.459 nan 8.150 nan 0.000 0.443 543 K N 0.595 120.978 120.400 -0.027 0.000 2.074 543 K HA -0.109 4.210 4.320 -0.001 0.000 0.209 543 K C 1.783 178.367 176.600 -0.026 0.000 1.048 543 K CA 2.388 58.664 56.287 -0.019 0.000 0.926 543 K CB -0.540 31.958 32.500 -0.004 0.000 0.713 543 K HN 0.369 nan 8.250 nan 0.000 0.444 544 S N -0.530 115.146 115.700 -0.039 0.000 2.528 544 S HA 0.123 4.593 4.470 -0.001 0.000 0.219 544 S C 1.140 175.685 174.600 -0.091 0.000 0.985 544 S CA 0.289 58.460 58.200 -0.048 0.000 0.914 544 S CB 0.095 63.274 63.200 -0.034 0.000 0.776 544 S HN 0.137 nan 8.310 nan 0.000 0.526 545 L N 0.568 121.717 121.223 -0.123 0.000 2.575 545 L HA 0.419 4.758 4.340 -0.001 0.000 0.228 545 L C 0.207 177.024 176.870 -0.089 0.000 1.075 545 L CA 0.523 55.273 54.840 -0.149 0.000 0.867 545 L CB -0.002 41.915 42.059 -0.237 0.000 1.097 545 L HN 0.203 nan 8.230 nan 0.000 0.485 546 I N 1.232 121.764 120.570 -0.065 0.000 2.363 546 I HA -0.012 4.157 4.170 -0.001 0.000 0.292 546 I C 0.520 176.617 176.117 -0.033 0.000 1.075 546 I CA 0.142 61.416 61.300 -0.043 0.000 1.333 546 I CB 0.097 38.078 38.000 -0.032 0.000 1.415 546 I HN 0.215 nan 8.210 nan 0.000 0.502 547 N N 6.449 125.132 118.700 -0.029 0.000 2.399 547 N HA 0.007 4.746 4.740 -0.001 0.000 0.259 547 N C -0.532 174.969 175.510 -0.015 0.000 1.160 547 N CA 0.107 53.145 53.050 -0.020 0.000 0.946 547 N CB 0.339 38.815 38.487 -0.018 0.000 1.156 547 N HN 0.545 nan 8.380 nan 0.000 0.489 548 N N 4.893 123.586 118.700 -0.012 0.000 2.716 548 N HA 0.276 5.015 4.740 -0.001 0.000 0.245 548 N C -2.601 172.905 175.510 -0.006 0.000 1.495 548 N CA -1.100 51.945 53.050 -0.009 0.000 0.759 548 N CB 0.785 39.267 38.487 -0.009 0.000 1.261 548 N HN 0.437 nan 8.380 nan 0.000 0.515 549 P HA 0.357 nan 4.420 nan 0.000 0.277 549 P C -1.040 176.259 177.300 -0.003 0.000 1.276 549 P CA -0.146 62.952 63.100 -0.003 0.000 0.788 549 P CB 0.840 32.539 31.700 -0.003 0.000 1.114 550 K N 0.585 120.984 120.400 -0.002 0.000 2.378 550 K HA 0.262 4.581 4.320 -0.001 0.000 0.252 550 K C 0.001 176.600 176.600 -0.001 0.000 0.931 550 K CA -0.564 55.722 56.287 -0.002 0.000 0.794 550 K CB 1.387 33.886 32.500 -0.001 0.000 1.181 550 K HN 0.778 nan 8.250 nan 0.000 0.425 551 N N -0.821 117.878 118.700 -0.001 0.000 2.948 551 N HA -0.154 4.585 4.740 -0.001 0.000 0.239 551 N C -2.072 173.437 175.510 -0.001 0.000 0.954 551 N CA 0.839 53.889 53.050 -0.001 0.000 0.941 551 N CB -2.365 36.122 38.487 -0.001 0.000 1.101 551 N HN 0.736 nan 8.380 nan 0.000 0.579 552 P HA 0.000 nan 4.420 nan 0.000 0.216 552 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 552 P CB 0.000 31.699 31.700 -0.002 0.000 0.726