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 3poc_1_A DATA FIRST_RESID 0 DATA SEQUENCE AMIRKYRYGA PFDTEALTEK IETAEEAFPY GEISQKEGFA FTYIMDEDDI DATA SEQUENCE VYGLGESNRG INKRGYCYIS NCTDDPIHTE DKRSLYGAHN FIIVSGKTTF DATA SEQUENCE GLFFDYPSKL TFDIGYTRMD TLKVSCENAD LDIYVIEGEN AYDIVKQFRR DATA SEQUENCE VIGRSYIPPK FAFGFGQSRW GYTTKEDFRA VAKGYRENHI PIDMIYMDID DATA SEQUENCE YMQDFKDFTV NEKNFPDFPE FVKEMKDQEL RLIPIIDAGV KVEKGYEVYE DATA SEQUENCE EGVKNNYFCK REDGSDFVAA VWPGDTHFPD MLNPEARKWF GDKYRFLIDQ DATA SEQUENCE GIEGFWNAMN EPAIFYSSEG LAEAKEFAGE FAKDTEGKIH PWAMQAKMKD DATA SEQUENCE IVNSPEDYKR FYHNVNGKKI RHDKVHNLFG YNMTRAAGEA FERIDPEKRF DATA SEQUENCE LMFSRSSYIG MHRYGGIWMG DNKSWWSHIL LNLKMLPSLN MCGFMYTGAD DATA SEQUENCE LGGFGDDTTR DLLLRFLALG VFTPLMRDHA AEGTREQECY QFENIEDFRS DATA SEQUENCE VINARYRLVP YLYSEYMKAA LNDDMYFKPL GFVYPDDKMA IRVEDQLMLG DATA SEQUENCE NEIMIAPVYE QNARGRYVYL PEEMKFIKFM PDGSISEEVL EKGVHYVDVA DATA SEQUENCE LNEVPLFIRS GKCIPVAEAA ECVKDIDTEN MQLIGYEGSS YTLYEDDGIH DATA SEQUENCE KDYDKKENYR VLTK 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.595 177.584 0.018 0.000 1.274 0 A CA 0.000 52.040 52.037 0.006 0.000 0.836 0 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 1 M N 0.038 119.655 119.600 0.028 0.000 2.371 1 M HA 0.400 4.881 4.480 0.002 0.000 0.246 1 M C 0.145 176.492 176.300 0.078 0.000 1.103 1 M CA 0.603 55.931 55.300 0.046 0.000 1.010 1 M CB 0.051 32.671 32.600 0.035 0.000 1.457 1 M HN 0.683 nan 8.290 nan 0.000 0.486 2 I N -0.454 120.164 120.570 0.081 0.000 2.619 2 I HA 0.549 4.720 4.170 0.002 0.000 0.292 2 I C -1.190 174.994 176.117 0.112 0.000 1.100 2 I CA -0.486 60.893 61.300 0.132 0.000 1.043 2 I CB 2.036 40.133 38.000 0.161 0.000 1.239 2 I HN -0.006 nan 8.210 nan 0.000 0.420 3 R N 4.371 124.941 120.500 0.118 0.000 2.854 3 R HA 0.628 4.969 4.340 0.002 0.000 0.271 3 R C -1.170 175.070 176.300 -0.100 0.000 0.994 3 R CA -1.134 54.941 56.100 -0.041 0.000 0.945 3 R CB 1.927 32.130 30.300 -0.162 0.000 1.194 3 R HN 0.557 nan 8.270 nan 0.000 0.476 4 K N 2.213 122.397 120.400 -0.360 0.000 2.413 4 K HA 0.287 4.609 4.320 0.002 0.000 0.257 4 K C -1.497 174.760 176.600 -0.572 0.000 0.946 4 K CA -0.471 55.508 56.287 -0.513 0.000 0.823 4 K CB 1.024 33.206 32.500 -0.529 0.000 1.109 4 K HN 0.561 nan 8.250 nan 0.000 0.427 5 Y N 3.191 123.385 120.300 -0.177 0.000 2.369 5 Y HA 0.306 4.857 4.550 0.002 0.000 0.337 5 Y C 0.489 176.263 175.900 -0.209 0.000 0.961 5 Y CA -0.719 57.312 58.100 -0.114 0.000 1.186 5 Y CB 1.176 39.738 38.460 0.170 0.000 1.139 5 Y HN 0.430 nan 8.280 nan 0.000 0.494 6 R N 2.748 123.121 120.500 -0.212 0.000 2.357 6 R HA 0.439 4.780 4.340 0.002 0.000 0.296 6 R C -1.843 174.230 176.300 -0.378 0.000 1.052 6 R CA -0.376 55.611 56.100 -0.188 0.000 0.988 6 R CB 0.586 30.805 30.300 -0.134 0.000 1.025 6 R HN 0.625 nan 8.270 nan 0.000 0.469 7 Y N 3.188 123.486 120.300 -0.003 0.000 2.391 7 Y HA 0.411 4.963 4.550 0.002 0.000 0.341 7 Y C 0.981 176.883 175.900 0.003 0.000 0.965 7 Y CA 0.383 58.485 58.100 0.003 0.000 1.067 7 Y CB 2.237 40.661 38.460 -0.060 0.000 1.199 7 Y HN 1.036 nan 8.280 nan 0.000 0.450 8 G N 1.917 110.811 108.800 0.156 0.000 2.582 8 G HA2 -0.073 3.888 3.960 0.002 0.000 0.288 8 G HA3 -0.073 3.888 3.960 0.002 0.000 0.288 8 G C -0.351 174.596 174.900 0.078 0.000 1.247 8 G CA -0.048 45.119 45.100 0.112 0.000 0.972 8 G HN 1.357 nan 8.290 nan 0.000 0.557 9 A N 1.596 124.466 122.820 0.084 0.000 2.802 9 A HA 0.727 5.048 4.320 0.002 0.000 0.344 9 A C -1.857 175.785 177.584 0.096 0.000 1.215 9 A CA -0.475 51.604 52.037 0.071 0.000 0.821 9 A CB 0.947 19.983 19.000 0.061 0.000 1.099 9 A HN 0.706 nan 8.150 nan 0.000 0.479 10 P HA 0.102 nan 4.420 nan 0.000 0.271 10 P C -0.239 177.151 177.300 0.148 0.000 1.220 10 P CA 0.017 63.205 63.100 0.147 0.000 0.768 10 P CB 0.399 32.180 31.700 0.135 0.000 0.848 11 F N 2.962 122.935 119.950 0.038 0.000 2.607 11 F HA -0.026 4.502 4.527 0.002 0.000 0.374 11 F C 0.877 176.701 175.800 0.041 0.000 1.104 11 F CA 0.292 58.301 58.000 0.015 0.000 1.296 11 F CB 0.220 39.199 39.000 -0.036 0.000 1.085 11 F HN 0.250 nan 8.300 nan 0.000 0.584 12 D N 4.041 124.200 120.400 -0.401 0.000 2.352 12 D HA 0.058 4.699 4.640 0.002 0.000 0.245 12 D C 1.031 177.347 176.300 0.027 0.000 1.224 12 D CA 0.230 54.147 54.000 -0.138 0.000 0.879 12 D CB 0.916 41.605 40.800 -0.184 0.000 1.057 12 D HN 0.636 nan 8.370 nan 0.000 0.491 13 T N 0.497 115.222 114.554 0.284 0.000 3.067 13 T HA 0.005 4.356 4.350 0.002 0.000 0.257 13 T C 0.658 175.603 174.700 0.408 0.000 1.105 13 T CA 0.208 62.542 62.100 0.391 0.000 1.104 13 T CB -0.339 68.805 68.868 0.460 0.000 0.925 13 T HN 0.635 nan 8.240 nan 0.000 0.498 14 E N 0.062 120.451 120.200 0.314 0.000 2.791 14 E HA -0.276 4.075 4.350 0.002 0.000 0.271 14 E C 1.263 178.094 176.600 0.386 0.000 1.044 14 E CA 0.180 56.756 56.400 0.292 0.000 0.814 14 E CB -1.835 28.003 29.700 0.230 0.000 1.400 14 E HN 0.713 nan 8.360 nan 0.000 0.423 15 A N 0.118 123.206 122.820 0.446 0.000 1.858 15 A HA -0.039 4.282 4.320 0.002 0.000 0.216 15 A C 1.094 178.747 177.584 0.115 0.000 1.190 15 A CA 1.026 53.270 52.037 0.346 0.000 0.617 15 A CB 0.020 19.335 19.000 0.526 0.000 0.827 15 A HN 0.171 nan 8.150 nan 0.000 0.443 16 L N -0.703 120.575 121.223 0.091 0.000 2.380 16 L HA 0.231 4.572 4.340 0.002 0.000 0.273 16 L C 1.597 178.457 176.870 -0.016 0.000 1.138 16 L CA 0.508 55.307 54.840 -0.068 0.000 0.832 16 L CB 1.185 43.175 42.059 -0.114 0.000 1.124 16 L HN 0.217 nan 8.230 nan 0.000 0.454 17 T N 0.931 115.438 114.554 -0.078 0.000 3.035 17 T HA 0.019 4.371 4.350 0.002 0.000 0.259 17 T C 0.505 175.180 174.700 -0.042 0.000 1.078 17 T CA 0.445 62.516 62.100 -0.049 0.000 1.132 17 T CB 0.065 68.882 68.868 -0.085 0.000 0.900 17 T HN 0.570 nan 8.240 nan 0.000 0.480 18 E N 1.612 121.772 120.200 -0.066 0.000 2.175 18 E HA 0.339 4.691 4.350 0.002 0.000 0.278 18 E C -0.722 175.880 176.600 0.004 0.000 0.969 18 E CA -0.727 55.649 56.400 -0.041 0.000 0.796 18 E CB 0.784 30.444 29.700 -0.068 0.000 1.104 18 E HN -0.104 nan 8.360 nan 0.000 0.395 19 K N 5.380 125.793 120.400 0.023 0.000 2.349 19 K HA 0.179 4.500 4.320 0.002 0.000 0.289 19 K C -0.922 175.716 176.600 0.063 0.000 1.064 19 K CA -0.170 56.149 56.287 0.053 0.000 0.947 19 K CB 0.308 32.828 32.500 0.034 0.000 1.007 19 K HN 0.402 nan 8.250 nan 0.000 0.478 20 I N 3.519 124.161 120.570 0.120 0.000 2.412 20 I HA 0.251 4.422 4.170 0.002 0.000 0.296 20 I C 0.512 176.657 176.117 0.047 0.000 0.987 20 I CA -0.717 60.649 61.300 0.111 0.000 1.180 20 I CB 1.548 39.693 38.000 0.241 0.000 1.340 20 I HN 0.779 nan 8.210 nan 0.000 0.455 21 E N 3.187 123.384 120.200 -0.005 0.000 2.374 21 E HA 0.188 4.540 4.350 0.002 0.000 0.260 21 E C -0.559 175.977 176.600 -0.107 0.000 1.101 21 E CA -0.383 55.990 56.400 -0.045 0.000 0.907 21 E CB 0.996 30.669 29.700 -0.046 0.000 1.014 21 E HN 0.500 nan 8.360 nan 0.000 0.427 22 T N 2.196 116.676 114.554 -0.124 0.000 2.834 22 T HA 0.314 4.665 4.350 0.002 0.000 0.298 22 T C -0.020 174.540 174.700 -0.233 0.000 0.966 22 T CA -0.375 61.610 62.100 -0.192 0.000 1.141 22 T CB 1.086 69.867 68.868 -0.145 0.000 0.905 22 T HN 0.531 nan 8.240 nan 0.000 0.535 23 A N 2.815 125.397 122.820 -0.398 0.000 2.296 23 A HA 0.461 4.782 4.320 0.002 0.000 0.264 23 A C 1.045 178.500 177.584 -0.216 0.000 1.097 23 A CA -0.416 51.378 52.037 -0.405 0.000 0.811 23 A CB 0.335 18.819 19.000 -0.860 0.000 1.072 23 A HN 0.823 nan 8.150 nan 0.000 0.495 24 E N -0.217 119.924 120.200 -0.098 0.000 2.367 24 E HA 0.068 4.419 4.350 0.002 0.000 0.204 24 E C -0.056 176.579 176.600 0.057 0.000 0.840 24 E CA 0.291 56.681 56.400 -0.018 0.000 1.051 24 E CB -0.387 29.298 29.700 -0.025 0.000 1.051 24 E HN 0.843 nan 8.360 nan 0.000 0.509 25 E N 1.852 122.098 120.200 0.078 0.000 2.442 25 E HA 0.246 4.597 4.350 0.002 0.000 0.260 25 E C 0.232 176.933 176.600 0.168 0.000 1.148 25 E CA 0.157 56.616 56.400 0.100 0.000 0.976 25 E CB 0.267 30.010 29.700 0.071 0.000 0.967 25 E HN 0.146 nan 8.360 nan 0.000 0.454 26 A N 1.306 124.184 122.820 0.098 0.000 2.475 26 A HA 0.110 4.431 4.320 0.002 0.000 0.239 26 A C -0.345 177.264 177.584 0.041 0.000 1.087 26 A CA -0.319 51.779 52.037 0.101 0.000 0.779 26 A CB -0.118 18.921 19.000 0.065 0.000 1.036 26 A HN 0.550 nan 8.150 nan 0.000 0.506 27 F N 1.826 121.702 119.950 -0.123 0.000 2.538 27 F HA 0.303 4.831 4.527 0.002 0.000 0.371 27 F C -1.262 174.364 175.800 -0.291 0.000 1.087 27 F CA -1.213 56.562 58.000 -0.376 0.000 1.250 27 F CB 0.778 39.657 39.000 -0.202 0.000 1.110 27 F HN 0.400 nan 8.300 nan 0.000 0.570 28 P HA -0.108 nan 4.420 nan 0.000 0.217 28 P C -1.150 175.677 177.300 -0.788 0.000 1.150 28 P CA 1.535 64.150 63.100 -0.809 0.000 0.832 28 P CB 0.067 31.158 31.700 -1.015 0.000 0.787 29 Y N -1.709 118.445 120.300 -0.244 0.000 2.499 29 Y HA 0.535 5.087 4.550 0.002 0.000 0.347 29 Y C 1.384 177.598 175.900 0.524 0.000 0.987 29 Y CA -0.402 57.709 58.100 0.017 0.000 1.044 29 Y CB 1.300 39.447 38.460 -0.523 0.000 1.245 29 Y HN 0.080 nan 8.280 nan 0.000 0.461 30 G N 1.945 111.151 108.800 0.677 0.000 2.601 30 G HA2 -0.221 3.740 3.960 0.002 0.000 0.261 30 G HA3 -0.221 3.740 3.960 0.002 0.000 0.261 30 G C -0.760 174.328 174.900 0.312 0.000 1.289 30 G CA -0.246 45.164 45.100 0.518 0.000 0.920 30 G HN 0.645 nan 8.290 nan 0.000 0.571 31 E N -0.655 119.627 120.200 0.137 0.000 2.266 31 E HA 0.551 4.902 4.350 0.002 0.000 0.268 31 E C -0.357 176.226 176.600 -0.028 0.000 0.879 31 E CA -0.995 55.439 56.400 0.056 0.000 0.762 31 E CB 1.790 31.477 29.700 -0.022 0.000 1.199 31 E HN 0.382 nan 8.360 nan 0.000 0.422 32 I N 1.455 121.977 120.570 -0.079 0.000 2.437 32 I HA 0.370 4.541 4.170 0.002 0.000 0.298 32 I C 0.131 176.079 176.117 -0.281 0.000 0.984 32 I CA -0.334 60.793 61.300 -0.289 0.000 1.214 32 I CB 1.472 39.285 38.000 -0.312 0.000 1.365 32 I HN 0.357 nan 8.210 nan 0.000 0.469 33 S N 3.674 119.108 115.700 -0.443 0.000 2.549 33 S HA 0.476 4.947 4.470 0.002 0.000 0.280 33 S C -0.090 174.327 174.600 -0.305 0.000 1.109 33 S CA -0.453 57.572 58.200 -0.291 0.000 0.905 33 S CB 1.708 64.766 63.200 -0.236 0.000 1.081 33 S HN 0.636 nan 8.310 nan 0.000 0.477 34 Q N 2.088 121.808 119.800 -0.134 0.000 2.164 34 Q HA 0.186 4.527 4.340 0.002 0.000 0.226 34 Q C 1.303 177.284 176.000 -0.032 0.000 0.813 34 Q CA -0.340 55.434 55.803 -0.050 0.000 0.978 34 Q CB 0.391 29.150 28.738 0.034 0.000 1.149 34 Q HN 0.718 nan 8.270 nan 0.000 0.489 35 K N 1.848 122.216 120.400 -0.053 0.000 2.020 35 K HA -0.143 4.178 4.320 0.002 0.000 0.212 35 K C 0.359 176.940 176.600 -0.033 0.000 1.050 35 K CA 1.285 57.550 56.287 -0.037 0.000 0.929 35 K CB 0.321 32.793 32.500 -0.047 0.000 0.714 35 K HN -0.002 nan 8.250 nan 0.000 0.443 36 E N 0.373 120.542 120.200 -0.052 0.000 2.884 36 E HA 0.175 4.526 4.350 0.002 0.000 0.221 36 E C 0.395 176.972 176.600 -0.038 0.000 1.137 36 E CA 0.337 56.712 56.400 -0.042 0.000 1.160 36 E CB 0.698 30.366 29.700 -0.053 0.000 1.385 36 E HN 0.606 nan 8.360 nan 0.000 0.442 37 G N 2.250 111.044 108.800 -0.009 0.000 2.652 37 G HA2 -0.320 3.641 3.960 0.002 0.000 0.278 37 G HA3 -0.320 3.641 3.960 0.002 0.000 0.278 37 G C -0.413 174.520 174.900 0.055 0.000 1.263 37 G CA 0.169 45.281 45.100 0.020 0.000 0.966 37 G HN 0.414 nan 8.290 nan 0.000 0.544 38 F N 1.581 121.439 119.950 -0.153 0.000 2.591 38 F HA 0.746 5.274 4.527 0.002 0.000 0.309 38 F C -0.266 175.413 175.800 -0.203 0.000 1.098 38 F CA 0.233 58.111 58.000 -0.203 0.000 0.937 38 F CB 2.039 40.880 39.000 -0.266 0.000 1.250 38 F HN 1.482 nan 8.300 nan 0.000 0.447 39 A N 5.375 127.558 122.820 -1.061 0.000 2.491 39 A HA 0.585 4.906 4.320 0.002 0.000 0.293 39 A C -2.361 174.783 177.584 -0.733 0.000 1.047 39 A CA -0.439 51.190 52.037 -0.680 0.000 0.735 39 A CB 0.560 19.343 19.000 -0.363 0.000 1.281 39 A HN 0.843 nan 8.150 nan 0.000 0.398 40 F N 2.560 122.177 119.950 -0.555 0.000 2.415 40 F HA 0.756 5.285 4.527 0.002 0.000 0.348 40 F C -0.283 175.455 175.800 -0.103 0.000 1.119 40 F CA -0.048 57.769 58.000 -0.305 0.000 1.069 40 F CB 1.773 40.746 39.000 -0.043 0.000 1.124 40 F HN 0.404 nan 8.300 nan 0.000 0.472 41 T N 6.841 120.932 114.554 -0.772 0.000 2.812 41 T HA 0.351 4.702 4.350 0.002 0.000 0.282 41 T C -1.980 172.368 174.700 -0.586 0.000 0.990 41 T CA -0.411 61.328 62.100 -0.601 0.000 0.960 41 T CB 0.877 69.567 68.868 -0.296 0.000 0.948 41 T HN 0.594 nan 8.240 nan 0.000 0.438 42 Y N 3.645 123.612 120.300 -0.554 0.000 2.386 42 Y HA 0.518 5.069 4.550 0.002 0.000 0.334 42 Y C -1.236 174.626 175.900 -0.062 0.000 1.002 42 Y CA -1.375 56.587 58.100 -0.231 0.000 1.068 42 Y CB 0.919 39.352 38.460 -0.045 0.000 1.203 42 Y HN 0.438 nan 8.280 nan 0.000 0.443 43 I N 7.412 127.625 120.570 -0.594 0.000 2.322 43 I HA 0.189 4.360 4.170 0.002 0.000 0.292 43 I C 0.059 175.837 176.117 -0.565 0.000 1.060 43 I CA -0.020 61.024 61.300 -0.428 0.000 1.309 43 I CB 0.345 38.172 38.000 -0.287 0.000 1.415 43 I HN 0.727 nan 8.210 nan 0.000 0.492 44 M N 4.403 123.888 119.600 -0.192 0.000 2.233 44 M HA 0.090 4.572 4.480 0.002 0.000 0.350 44 M C 0.373 176.663 176.300 -0.016 0.000 1.176 44 M CA -0.178 55.126 55.300 0.006 0.000 1.150 44 M CB 0.468 33.140 32.600 0.120 0.000 1.530 44 M HN 0.445 nan 8.290 nan 0.000 0.459 45 D N 1.385 121.809 120.400 0.039 0.000 2.362 45 D HA -0.026 4.616 4.640 0.002 0.000 0.242 45 D C 1.074 177.390 176.300 0.027 0.000 1.132 45 D CA -0.065 53.953 54.000 0.029 0.000 0.907 45 D CB 0.867 41.702 40.800 0.058 0.000 1.195 45 D HN 0.719 nan 8.370 nan 0.000 0.429 46 E N 1.321 121.528 120.200 0.013 0.000 2.160 46 E HA -0.249 4.102 4.350 0.002 0.000 0.195 46 E C 0.471 177.076 176.600 0.008 0.000 0.991 46 E CA 1.195 57.599 56.400 0.007 0.000 0.810 46 E CB -0.086 29.614 29.700 0.000 0.000 0.742 46 E HN 0.467 nan 8.360 nan 0.000 0.466 47 D N 1.096 121.505 120.400 0.015 0.000 2.350 47 D HA 0.015 4.656 4.640 0.002 0.000 0.213 47 D C -0.291 176.016 176.300 0.011 0.000 1.031 47 D CA 0.181 54.188 54.000 0.012 0.000 0.861 47 D CB -0.092 40.718 40.800 0.018 0.000 0.926 47 D HN 0.123 nan 8.370 nan 0.000 0.520 48 D N 0.828 121.243 120.400 0.024 0.000 2.525 48 D HA 0.067 4.708 4.640 0.002 0.000 0.235 48 D C 0.572 176.852 176.300 -0.034 0.000 1.137 48 D CA 0.542 54.554 54.000 0.020 0.000 0.868 48 D CB 1.235 42.075 40.800 0.066 0.000 1.180 48 D HN 0.095 nan 8.370 nan 0.000 0.465 49 I N 1.354 121.869 120.570 -0.091 0.000 2.562 49 I HA 0.259 4.431 4.170 0.002 0.000 0.301 49 I C -0.339 175.598 176.117 -0.299 0.000 1.003 49 I CA -1.013 60.153 61.300 -0.225 0.000 1.127 49 I CB 2.025 39.819 38.000 -0.344 0.000 1.304 49 I HN -0.069 nan 8.210 nan 0.000 0.446 50 V N 6.084 125.799 119.914 -0.332 0.000 2.376 50 V HA 0.345 4.466 4.120 0.002 0.000 0.287 50 V C -0.850 175.039 176.094 -0.341 0.000 1.015 50 V CA -0.611 61.526 62.300 -0.272 0.000 0.834 50 V CB 1.014 32.763 31.823 -0.123 0.000 1.001 50 V HN 0.403 nan 8.190 nan 0.000 0.428 51 Y N 2.619 122.832 120.300 -0.144 0.000 2.403 51 Y HA 0.879 5.430 4.550 0.002 0.000 0.323 51 Y C 0.980 176.717 175.900 -0.272 0.000 1.226 51 Y CA 0.703 58.704 58.100 -0.165 0.000 1.235 51 Y CB 1.857 40.271 38.460 -0.076 0.000 1.248 51 Y HN 0.915 nan 8.280 nan 0.000 0.489 52 G N -0.350 108.405 108.800 -0.076 0.000 2.306 52 G HA2 -0.019 3.943 3.960 0.002 0.000 0.262 52 G HA3 -0.019 3.943 3.960 0.002 0.000 0.262 52 G C -0.422 174.359 174.900 -0.199 0.000 1.263 52 G CA -0.474 44.506 45.100 -0.199 0.000 1.088 52 G HN 0.890 nan 8.290 nan 0.000 0.489 53 L N -0.093 121.016 121.223 -0.190 0.000 4.759 53 L HA -0.192 4.149 4.340 0.002 0.000 0.419 53 L C 2.324 179.179 176.870 -0.024 0.000 1.093 53 L CA 1.438 56.151 54.840 -0.212 0.000 1.037 53 L CB -1.601 40.172 42.059 -0.476 0.000 2.095 53 L HN 2.922 nan 8.230 nan 0.000 0.739 54 G N 0.684 109.528 108.800 0.072 0.000 2.698 54 G HA2 -0.429 3.532 3.960 0.002 0.000 0.337 54 G HA3 -0.429 3.532 3.960 0.002 0.000 0.337 54 G C 0.183 175.170 174.900 0.145 0.000 1.286 54 G CA 0.819 46.029 45.100 0.183 0.000 1.000 54 G HN 0.614 nan 8.290 nan 0.000 0.547 55 E N 1.545 121.905 120.200 0.266 0.000 1.791 55 E HA 0.442 4.793 4.350 0.002 0.000 0.263 55 E C 0.409 176.980 176.600 -0.049 0.000 1.213 55 E CA 0.397 56.825 56.400 0.047 0.000 0.991 55 E CB -0.465 29.245 29.700 0.017 0.000 1.068 55 E HN 0.742 nan 8.360 nan 0.000 0.417 56 S N 3.076 118.751 115.700 -0.042 0.000 2.697 56 S HA 0.382 4.853 4.470 0.002 0.000 0.289 56 S C -0.303 174.318 174.600 0.036 0.000 1.149 56 S CA -1.158 57.030 58.200 -0.021 0.000 0.850 56 S CB 1.308 64.478 63.200 -0.051 0.000 1.151 56 S HN 0.368 nan 8.310 nan 0.000 0.491 57 N N 0.819 119.611 118.700 0.153 0.000 2.399 57 N HA 0.441 5.183 4.740 0.002 0.000 0.250 57 N C 0.597 176.257 175.510 0.249 0.000 1.272 57 N CA 0.274 53.428 53.050 0.173 0.000 0.928 57 N CB -0.197 38.404 38.487 0.189 0.000 1.158 57 N HN 0.803 nan 8.380 nan 0.000 0.463 58 R N -1.515 119.085 120.500 0.167 0.000 4.105 58 R HA -0.146 4.195 4.340 0.002 0.000 0.295 58 R C 0.386 176.739 176.300 0.087 0.000 0.241 58 R CA 0.976 57.163 56.100 0.146 0.000 1.000 58 R CB -1.792 28.644 30.300 0.227 0.000 1.090 58 R HN 0.675 nan 8.270 nan 0.000 0.516 59 G N -0.483 108.364 108.800 0.077 0.000 2.568 59 G HA2 0.561 4.523 3.960 0.002 0.000 0.293 59 G HA3 0.561 4.523 3.960 0.002 0.000 0.293 59 G C 1.075 175.964 174.900 -0.019 0.000 1.347 59 G CA -0.221 44.889 45.100 0.017 0.000 1.039 59 G HN 0.429 nan 8.290 nan 0.000 0.523 60 I N -0.375 120.175 120.570 -0.033 0.000 2.277 60 I HA -0.054 4.117 4.170 0.002 0.000 0.243 60 I C 0.933 177.004 176.117 -0.077 0.000 1.094 60 I CA 0.421 61.701 61.300 -0.033 0.000 1.393 60 I CB -0.088 37.909 38.000 -0.005 0.000 1.078 60 I HN 0.251 nan 8.210 nan 0.000 0.417 61 N N 2.216 120.848 118.700 -0.114 0.000 2.405 61 N HA -0.016 4.725 4.740 0.002 0.000 0.260 61 N C 0.629 176.085 175.510 -0.089 0.000 1.152 61 N CA 0.257 53.195 53.050 -0.186 0.000 0.948 61 N CB 0.686 39.075 38.487 -0.163 0.000 1.111 61 N HN 0.010 nan 8.380 nan 0.000 0.485 62 K N 2.626 122.954 120.400 -0.119 0.000 2.432 62 K HA 0.040 4.361 4.320 0.002 0.000 0.196 62 K C 0.363 177.064 176.600 0.169 0.000 1.038 62 K CA 0.219 56.470 56.287 -0.059 0.000 0.986 62 K CB 0.017 32.301 32.500 -0.360 0.000 0.782 62 K HN 0.503 nan 8.250 nan 0.000 0.485 63 R N 0.307 120.856 120.500 0.081 0.000 2.638 63 R HA 0.031 4.373 4.340 0.002 0.000 0.268 63 R C 0.920 177.326 176.300 0.177 0.000 1.006 63 R CA 1.201 57.377 56.100 0.125 0.000 1.088 63 R CB -0.060 30.269 30.300 0.049 0.000 0.950 63 R HN 0.460 nan 8.270 nan 0.000 0.419 64 G N 0.508 109.427 108.800 0.199 0.000 2.144 64 G HA2 -0.271 3.690 3.960 0.002 0.000 0.218 64 G HA3 -0.271 3.690 3.960 0.002 0.000 0.218 64 G C -0.792 174.306 174.900 0.329 0.000 0.988 64 G CA 0.022 45.238 45.100 0.193 0.000 0.659 64 G HN 0.590 nan 8.290 nan 0.000 0.522 65 Y N -1.342 119.039 120.300 0.136 0.000 2.953 65 Y HA 0.644 5.195 4.550 0.002 0.000 0.321 65 Y C -0.738 175.048 175.900 -0.190 0.000 1.514 65 Y CA -0.974 57.134 58.100 0.014 0.000 1.091 65 Y CB 0.840 39.195 38.460 -0.175 0.000 1.700 65 Y HN 0.660 nan 8.280 nan 0.000 0.436 66 C N 2.510 121.070 119.300 -1.233 0.000 2.369 66 C HA 0.809 5.270 4.460 0.002 0.000 0.322 66 C C -1.844 172.566 174.990 -0.966 0.000 1.258 66 C CA -0.493 57.948 59.018 -0.962 0.000 1.487 66 C CB -1.116 25.923 27.740 -1.170 0.000 2.165 66 C HN 0.522 nan 8.230 nan 0.000 0.483 67 Y N 5.743 125.990 120.300 -0.090 0.000 2.361 67 Y HA 0.658 5.209 4.550 0.002 0.000 0.337 67 Y C 0.235 176.191 175.900 0.094 0.000 0.965 67 Y CA -0.872 57.227 58.100 -0.002 0.000 1.091 67 Y CB 0.973 39.429 38.460 -0.006 0.000 1.182 67 Y HN 0.438 nan 8.280 nan 0.000 0.450 68 I N 2.755 123.416 120.570 0.152 0.000 2.382 68 I HA 0.259 4.431 4.170 0.002 0.000 0.286 68 I C -0.418 175.787 176.117 0.145 0.000 1.002 68 I CA -0.612 60.767 61.300 0.131 0.000 1.135 68 I CB 1.606 39.612 38.000 0.011 0.000 1.288 68 I HN 0.569 nan 8.210 nan 0.000 0.448 69 S N 5.566 121.402 115.700 0.227 0.000 2.414 69 S HA 0.207 4.678 4.470 0.002 0.000 0.290 69 S C -0.038 174.648 174.600 0.144 0.000 1.160 69 S CA -0.135 58.183 58.200 0.197 0.000 1.069 69 S CB -0.390 63.004 63.200 0.323 0.000 1.012 69 S HN 0.624 nan 8.310 nan 0.000 0.510 70 N N 2.523 121.277 118.700 0.090 0.000 3.112 70 N HA 0.074 4.815 4.740 0.002 0.000 0.231 70 N C -1.220 174.337 175.510 0.078 0.000 1.385 70 N CA -0.443 52.660 53.050 0.088 0.000 0.790 70 N CB -0.051 38.450 38.487 0.023 0.000 1.563 70 N HN 0.432 nan 8.380 nan 0.000 0.613 71 C N 2.239 121.606 119.300 0.112 0.000 2.519 71 C HA 0.465 4.927 4.460 0.002 0.000 0.402 71 C C 1.094 176.147 174.990 0.104 0.000 1.475 71 C CA -0.038 59.012 59.018 0.053 0.000 1.504 71 C CB -1.836 25.889 27.740 -0.026 0.000 2.454 71 C HN 0.635 nan 8.230 nan 0.000 0.615 72 T N -0.411 114.135 114.554 -0.013 0.000 2.909 72 T HA 0.361 4.712 4.350 0.002 0.000 0.299 72 T C -0.918 173.726 174.700 -0.092 0.000 1.073 72 T CA -0.564 61.531 62.100 -0.008 0.000 0.999 72 T CB 1.595 70.453 68.868 -0.017 0.000 1.098 72 T HN 0.539 nan 8.240 nan 0.000 0.477 73 D N 2.218 122.657 120.400 0.065 0.000 2.470 73 D HA 0.241 4.883 4.640 0.002 0.000 0.226 73 D C -0.861 175.494 176.300 0.092 0.000 1.196 73 D CA -0.008 54.084 54.000 0.153 0.000 0.979 73 D CB 0.048 40.987 40.800 0.232 0.000 1.059 73 D HN 0.517 nan 8.370 nan 0.000 0.515 74 D N 3.909 124.281 120.400 -0.047 0.000 2.462 74 D HA 0.235 4.876 4.640 0.002 0.000 0.245 74 D C -2.102 174.317 176.300 0.198 0.000 1.122 74 D CA -2.064 51.967 54.000 0.051 0.000 0.864 74 D CB 2.089 42.880 40.800 -0.014 0.000 1.098 74 D HN 0.149 nan 8.370 nan 0.000 0.541 75 P HA 0.221 nan 4.420 nan 0.000 0.253 75 P C 0.160 177.462 177.300 0.003 0.000 1.260 75 P CA 0.210 63.411 63.100 0.168 0.000 0.800 75 P CB 0.126 31.968 31.700 0.237 0.000 1.162 76 I N 0.334 120.965 120.570 0.102 0.000 2.502 76 I HA 0.204 4.375 4.170 0.002 0.000 0.276 76 I C -0.039 176.258 176.117 0.301 0.000 1.057 76 I CA -0.597 60.780 61.300 0.128 0.000 1.163 76 I CB 0.473 38.592 38.000 0.198 0.000 1.288 76 I HN -0.097 nan 8.210 nan 0.000 0.479 77 H N 4.417 123.618 119.070 0.217 0.000 2.855 77 H HA 0.177 4.735 4.556 0.002 0.000 0.238 77 H C 0.454 176.046 175.328 0.440 0.000 1.847 77 H CA -0.627 55.568 56.048 0.243 0.000 1.368 77 H CB 0.101 29.918 29.762 0.092 0.000 1.758 77 H HN 0.495 nan 8.280 nan 0.000 0.546 78 T N -1.847 112.990 114.554 0.472 0.000 2.912 78 T HA 0.101 4.453 4.350 0.002 0.000 0.280 78 T C 1.282 176.126 174.700 0.241 0.000 0.989 78 T CA -1.020 61.322 62.100 0.405 0.000 0.995 78 T CB 1.803 70.861 68.868 0.315 0.000 1.077 78 T HN 0.482 nan 8.240 nan 0.000 0.531 79 E N 0.628 120.918 120.200 0.150 0.000 2.265 79 E HA -0.157 4.194 4.350 0.002 0.000 0.196 79 E C 1.572 178.135 176.600 -0.060 0.000 0.996 79 E CA 1.212 57.627 56.400 0.025 0.000 0.832 79 E CB -0.033 29.637 29.700 -0.050 0.000 0.756 79 E HN 0.762 nan 8.360 nan 0.000 0.491 80 D N 0.613 121.036 120.400 0.039 0.000 2.289 80 D HA -0.076 4.565 4.640 0.002 0.000 0.207 80 D C 0.372 176.803 176.300 0.217 0.000 0.966 80 D CA 0.312 54.381 54.000 0.116 0.000 0.868 80 D CB 0.070 40.942 40.800 0.120 0.000 0.943 80 D HN -0.154 nan 8.370 nan 0.000 0.514 81 K N 1.482 121.979 120.400 0.163 0.000 2.451 81 K HA 0.110 4.432 4.320 0.002 0.000 0.280 81 K C 1.107 177.780 176.600 0.121 0.000 1.020 81 K CA 0.084 56.446 56.287 0.125 0.000 1.008 81 K CB 0.818 33.382 32.500 0.106 0.000 0.917 81 K HN 0.178 nan 8.250 nan 0.000 0.478 82 R N 0.328 120.851 120.500 0.039 0.000 2.265 82 R HA 0.114 4.456 4.340 0.002 0.000 0.194 82 R C -0.120 176.175 176.300 -0.008 0.000 0.931 82 R CA 0.234 56.312 56.100 -0.035 0.000 1.032 82 R CB 0.553 30.760 30.300 -0.156 0.000 0.980 82 R HN 0.322 nan 8.270 nan 0.000 0.497 83 S N 0.373 116.060 115.700 -0.022 0.000 2.614 83 S HA 0.464 4.935 4.470 0.002 0.000 0.288 83 S C -0.626 173.891 174.600 -0.139 0.000 1.137 83 S CA -0.738 57.432 58.200 -0.051 0.000 0.992 83 S CB 1.873 65.048 63.200 -0.041 0.000 1.026 83 S HN 0.018 nan 8.310 nan 0.000 0.486 84 L N 0.965 122.065 121.223 -0.203 0.000 2.755 84 L HA 0.522 4.864 4.340 0.002 0.000 0.243 84 L C 0.572 177.202 176.870 -0.400 0.000 1.579 84 L CA -0.940 53.641 54.840 -0.432 0.000 1.669 84 L CB 0.058 41.856 42.059 -0.434 0.000 2.294 84 L HN 0.657 nan 8.230 nan 0.000 0.588 85 Y N -0.039 120.169 120.300 -0.154 0.000 2.457 85 Y HA 0.129 4.680 4.550 0.002 0.000 0.292 85 Y C 1.322 177.126 175.900 -0.161 0.000 1.125 85 Y CA 0.291 58.308 58.100 -0.138 0.000 1.254 85 Y CB -0.484 37.864 38.460 -0.186 0.000 1.012 85 Y HN 0.389 nan 8.280 nan 0.000 0.555 86 G N -0.304 108.426 108.800 -0.116 0.000 2.400 86 G HA2 0.625 4.586 3.960 0.002 0.000 0.333 86 G HA3 0.625 4.586 3.960 0.002 0.000 0.333 86 G C -1.201 173.449 174.900 -0.417 0.000 1.143 86 G CA -0.549 44.331 45.100 -0.368 0.000 0.914 86 G HN 0.192 nan 8.290 nan 0.000 0.480 87 A N 1.912 124.497 122.820 -0.391 0.000 2.431 87 A HA 0.638 4.959 4.320 0.002 0.000 0.318 87 A C -0.698 176.851 177.584 -0.059 0.000 1.330 87 A CA -0.624 51.365 52.037 -0.081 0.000 0.804 87 A CB 0.075 19.227 19.000 0.253 0.000 1.135 87 A HN 0.825 nan 8.150 nan 0.000 0.483 88 H N 2.421 121.542 119.070 0.086 0.000 2.736 88 H HA 0.233 4.790 4.556 0.002 0.000 0.271 88 H C -0.343 175.079 175.328 0.157 0.000 1.184 88 H CA -0.904 55.196 56.048 0.088 0.000 1.378 88 H CB 0.883 30.682 29.762 0.062 0.000 1.428 88 H HN 0.563 nan 8.280 nan 0.000 0.500 89 N N 2.555 121.538 118.700 0.471 0.000 2.623 89 N HA 0.002 4.743 4.740 0.002 0.000 0.263 89 N C -0.971 175.012 175.510 0.788 0.000 1.218 89 N CA 0.023 53.438 53.050 0.609 0.000 0.949 89 N CB 0.001 38.885 38.487 0.662 0.000 1.270 89 N HN 0.382 nan 8.380 nan 0.000 0.507 90 F N 2.186 122.300 119.950 0.275 0.000 2.444 90 F HA 0.558 5.086 4.527 0.002 0.000 0.342 90 F C -0.229 175.562 175.800 -0.014 0.000 1.121 90 F CA -2.011 56.025 58.000 0.060 0.000 0.997 90 F CB 0.650 39.434 39.000 -0.360 0.000 1.130 90 F HN -0.015 nan 8.300 nan 0.000 0.454 91 I N 3.626 124.051 120.570 -0.241 0.000 2.969 91 I HA 0.712 4.883 4.170 0.002 0.000 0.307 91 I C -1.758 174.046 176.117 -0.522 0.000 1.149 91 I CA -1.228 59.839 61.300 -0.387 0.000 1.008 91 I CB 2.564 40.520 38.000 -0.074 0.000 1.232 91 I HN 0.332 nan 8.210 nan 0.000 0.435 92 I N 3.876 124.197 120.570 -0.416 0.000 2.466 92 I HA 0.407 4.578 4.170 0.002 0.000 0.289 92 I C -0.365 175.581 176.117 -0.284 0.000 1.026 92 I CA -0.693 60.404 61.300 -0.339 0.000 1.078 92 I CB 1.981 39.860 38.000 -0.202 0.000 1.249 92 I HN 0.304 nan 8.210 nan 0.000 0.429 93 V N 4.439 124.031 119.914 -0.537 0.000 2.406 93 V HA 0.452 4.573 4.120 0.002 0.000 0.272 93 V C 0.222 176.156 176.094 -0.266 0.000 1.043 93 V CA -0.208 61.808 62.300 -0.473 0.000 0.915 93 V CB 1.289 32.601 31.823 -0.852 0.000 0.988 93 V HN 0.772 nan 8.190 nan 0.000 0.466 94 S N 3.557 119.204 115.700 -0.089 0.000 2.596 94 S HA 0.877 5.348 4.470 0.002 0.000 0.318 94 S C 0.118 174.739 174.600 0.036 0.000 1.097 94 S CA 0.387 58.605 58.200 0.031 0.000 1.080 94 S CB 0.936 64.262 63.200 0.210 0.000 0.991 94 S HN 1.253 nan 8.310 nan 0.000 0.471 95 G N 3.973 112.808 108.800 0.060 0.000 2.441 95 G HA2 0.143 4.104 3.960 0.002 0.000 0.225 95 G HA3 0.143 4.104 3.960 0.002 0.000 0.225 95 G C -0.016 174.937 174.900 0.089 0.000 1.200 95 G CA -0.470 44.673 45.100 0.071 0.000 0.947 95 G HN 0.517 nan 8.290 nan 0.000 0.484 96 K N -0.368 120.089 120.400 0.096 0.000 2.020 96 K HA -0.023 4.298 4.320 0.002 0.000 0.212 96 K C 0.609 177.289 176.600 0.133 0.000 1.050 96 K CA 1.720 58.068 56.287 0.103 0.000 0.929 96 K CB -0.355 32.204 32.500 0.098 0.000 0.714 96 K HN 0.309 nan 8.250 nan 0.000 0.443 97 T N 1.494 116.156 114.554 0.179 0.000 2.758 97 T HA 0.235 4.586 4.350 0.002 0.000 0.285 97 T C -0.556 174.269 174.700 0.209 0.000 0.981 97 T CA -0.453 61.785 62.100 0.231 0.000 0.965 97 T CB 1.767 70.835 68.868 0.333 0.000 0.927 97 T HN -0.025 nan 8.240 nan 0.000 0.448 98 T N 4.829 119.492 114.554 0.182 0.000 2.824 98 T HA 0.789 5.140 4.350 0.002 0.000 0.282 98 T C -0.817 173.976 174.700 0.156 0.000 0.993 98 T CA -0.661 61.490 62.100 0.086 0.000 0.967 98 T CB 0.472 69.375 68.868 0.059 0.000 0.960 98 T HN 0.594 nan 8.240 nan 0.000 0.441 99 F N -0.756 119.092 119.950 -0.171 0.000 2.770 99 F HA 0.782 5.311 4.527 0.002 0.000 0.313 99 F C -0.501 175.235 175.800 -0.106 0.000 1.154 99 F CA -1.368 56.532 58.000 -0.168 0.000 0.923 99 F CB 0.784 39.528 39.000 -0.427 0.000 1.301 99 F HN 0.764 nan 8.300 nan 0.000 0.449 100 G N 1.127 109.995 108.800 0.114 0.000 2.481 100 G HA2 0.756 4.717 3.960 0.002 0.000 0.315 100 G HA3 0.756 4.717 3.960 0.002 0.000 0.315 100 G C -2.146 172.903 174.900 0.248 0.000 1.231 100 G CA -1.205 43.939 45.100 0.073 0.000 0.968 100 G HN 0.809 nan 8.290 nan 0.000 0.482 101 L N 0.762 122.122 121.223 0.230 0.000 2.464 101 L HA 0.480 4.821 4.340 0.002 0.000 0.266 101 L C -1.605 175.504 176.870 0.398 0.000 0.965 101 L CA -0.771 54.206 54.840 0.228 0.000 0.833 101 L CB 2.595 44.709 42.059 0.093 0.000 1.296 101 L HN 0.511 nan 8.230 nan 0.000 0.405 102 F N 3.532 123.581 119.950 0.165 0.000 2.449 102 F HA 0.555 5.083 4.527 0.002 0.000 0.342 102 F C -1.159 174.777 175.800 0.227 0.000 1.127 102 F CA -1.180 56.975 58.000 0.259 0.000 0.975 102 F CB 1.045 40.164 39.000 0.199 0.000 1.146 102 F HN 0.135 nan 8.300 nan 0.000 0.444 103 F N 4.819 124.682 119.950 -0.144 0.000 2.335 103 F HA 0.207 4.735 4.527 0.002 0.000 0.365 103 F C 0.379 175.871 175.800 -0.513 0.000 1.122 103 F CA -0.630 57.258 58.000 -0.187 0.000 1.151 103 F CB 0.403 39.422 39.000 0.033 0.000 1.282 103 F HN 0.360 nan 8.300 nan 0.000 0.513 104 D N 4.085 124.263 120.400 -0.370 0.000 2.435 104 D HA 0.077 4.718 4.640 0.002 0.000 0.230 104 D C -1.403 175.049 176.300 0.253 0.000 1.215 104 D CA 0.293 54.221 54.000 -0.121 0.000 0.947 104 D CB -0.151 40.758 40.800 0.181 0.000 1.048 104 D HN 0.411 nan 8.370 nan 0.000 0.512 105 Y N 4.267 124.684 120.300 0.195 0.000 2.399 105 Y HA 0.350 4.901 4.550 0.002 0.000 0.327 105 Y C -2.365 173.641 175.900 0.177 0.000 1.111 105 Y CA -1.798 56.389 58.100 0.146 0.000 1.047 105 Y CB 2.380 40.884 38.460 0.073 0.000 1.259 105 Y HN 0.123 nan 8.280 nan 0.000 0.434 106 P HA 0.179 nan 4.420 nan 0.000 0.262 106 P C -0.088 176.905 177.300 -0.513 0.000 1.304 106 P CA 0.483 63.303 63.100 -0.466 0.000 0.859 106 P CB 1.023 32.426 31.700 -0.494 0.000 1.310 107 S N -0.298 114.925 115.700 -0.794 0.000 2.801 107 S HA 0.371 4.842 4.470 0.002 0.000 0.312 107 S C -0.298 174.306 174.600 0.005 0.000 1.112 107 S CA -0.797 57.156 58.200 -0.412 0.000 0.943 107 S CB 0.802 63.732 63.200 -0.449 0.000 1.269 107 S HN -0.161 nan 8.310 nan 0.000 0.558 108 K N 1.340 121.789 120.400 0.082 0.000 2.437 108 K HA 0.060 4.382 4.320 0.002 0.000 0.277 108 K C -1.260 175.472 176.600 0.221 0.000 1.073 108 K CA 0.235 56.597 56.287 0.125 0.000 1.105 108 K CB -0.280 32.247 32.500 0.046 0.000 0.881 108 K HN 0.336 nan 8.250 nan 0.000 0.475 109 L N 4.494 125.819 121.223 0.171 0.000 2.376 109 L HA 0.337 4.678 4.340 0.002 0.000 0.275 109 L C -1.043 175.780 176.870 -0.079 0.000 0.987 109 L CA -0.003 54.855 54.840 0.030 0.000 0.828 109 L CB 2.196 44.313 42.059 0.098 0.000 1.249 109 L HN 0.514 nan 8.230 nan 0.000 0.409 110 T N 5.644 120.059 114.554 -0.231 0.000 2.749 110 T HA 0.475 4.826 4.350 0.002 0.000 0.287 110 T C -0.614 173.889 174.700 -0.328 0.000 0.970 110 T CA 0.235 62.233 62.100 -0.171 0.000 0.980 110 T CB 0.099 68.881 68.868 -0.144 0.000 0.924 110 T HN 0.259 nan 8.240 nan 0.000 0.456 111 F N 2.792 122.718 119.950 -0.040 0.000 2.293 111 F HA 0.245 4.773 4.527 0.002 0.000 0.370 111 F C 0.763 176.578 175.800 0.024 0.000 1.090 111 F CA -1.072 56.934 58.000 0.010 0.000 1.133 111 F CB 0.713 39.769 39.000 0.093 0.000 1.360 111 F HN 0.415 nan 8.300 nan 0.000 0.489 112 D N 5.533 125.985 120.400 0.087 0.000 2.468 112 D HA 0.194 4.836 4.640 0.002 0.000 0.218 112 D C -0.100 176.288 176.300 0.147 0.000 1.155 112 D CA -0.043 53.992 54.000 0.057 0.000 0.924 112 D CB 0.299 41.099 40.800 0.000 0.000 1.029 112 D HN 0.423 nan 8.370 nan 0.000 0.515 113 I N 2.703 123.407 120.570 0.223 0.000 2.317 113 I HA 0.258 4.429 4.170 0.002 0.000 0.286 113 I C 1.416 177.656 176.117 0.204 0.000 1.119 113 I CA -0.595 60.849 61.300 0.240 0.000 1.228 113 I CB 0.691 38.880 38.000 0.315 0.000 1.476 113 I HN 0.544 nan 8.210 nan 0.000 0.514 114 G N 3.623 112.513 108.800 0.149 0.000 2.148 114 G HA2 -0.383 3.578 3.960 0.002 0.000 0.254 114 G HA3 -0.383 3.578 3.960 0.002 0.000 0.254 114 G C 0.509 175.479 174.900 0.116 0.000 0.981 114 G CA 0.688 45.853 45.100 0.110 0.000 0.670 114 G HN 0.650 nan 8.290 nan 0.000 0.528 115 Y N 0.859 121.171 120.300 0.019 0.000 2.176 115 Y HA 0.040 4.591 4.550 0.002 0.000 0.291 115 Y C 2.845 178.736 175.900 -0.015 0.000 1.122 115 Y CA 2.655 60.752 58.100 -0.006 0.000 1.128 115 Y CB -0.027 38.365 38.460 -0.113 0.000 1.005 115 Y HN 0.198 nan 8.280 nan 0.000 0.509 116 T N 0.581 115.200 114.554 0.108 0.000 2.809 116 T HA 0.006 4.358 4.350 0.002 0.000 0.260 116 T C 0.601 175.262 174.700 -0.065 0.000 1.039 116 T CA 0.890 62.988 62.100 -0.004 0.000 1.141 116 T CB -0.119 68.799 68.868 0.084 0.000 0.869 116 T HN 0.042 nan 8.240 nan 0.000 0.437 117 R N 0.188 120.674 120.500 -0.024 0.000 2.538 117 R HA 0.392 4.733 4.340 0.002 0.000 0.292 117 R C 0.948 177.239 176.300 -0.015 0.000 1.008 117 R CA -0.355 55.725 56.100 -0.033 0.000 0.896 117 R CB 0.998 31.279 30.300 -0.031 0.000 1.187 117 R HN 0.112 nan 8.270 nan 0.000 0.440 118 M N 1.425 121.012 119.600 -0.022 0.000 2.106 118 M HA -0.211 4.270 4.480 0.002 0.000 0.259 118 M C 0.958 177.262 176.300 0.006 0.000 1.068 118 M CA 2.017 57.314 55.300 -0.005 0.000 1.100 118 M CB -0.293 32.299 32.600 -0.013 0.000 1.351 118 M HN 0.572 nan 8.290 nan 0.000 0.404 119 D N -1.485 118.909 120.400 -0.010 0.000 2.339 119 D HA 0.005 4.647 4.640 0.002 0.000 0.217 119 D C -0.071 176.217 176.300 -0.020 0.000 1.050 119 D CA 0.341 54.332 54.000 -0.015 0.000 0.856 119 D CB -0.293 40.486 40.800 -0.035 0.000 0.922 119 D HN 0.035 nan 8.370 nan 0.000 0.518 120 T N 1.187 115.736 114.554 -0.007 0.000 2.770 120 T HA 0.424 4.776 4.350 0.002 0.000 0.283 120 T C -0.702 174.018 174.700 0.033 0.000 0.988 120 T CA -0.747 61.344 62.100 -0.015 0.000 0.957 120 T CB 1.531 70.378 68.868 -0.036 0.000 0.930 120 T HN 0.080 nan 8.240 nan 0.000 0.443 121 L N 4.004 125.262 121.223 0.058 0.000 2.272 121 L HA 0.685 5.026 4.340 0.002 0.000 0.289 121 L C -0.346 176.525 176.870 0.002 0.000 1.032 121 L CA -0.210 54.696 54.840 0.110 0.000 0.810 121 L CB 0.729 42.937 42.059 0.248 0.000 1.205 121 L HN 0.516 nan 8.230 nan 0.000 0.422 122 K N 4.558 124.961 120.400 0.005 0.000 2.507 122 K HA 0.642 4.963 4.320 0.002 0.000 0.252 122 K C -1.944 174.606 176.600 -0.082 0.000 0.943 122 K CA -0.662 55.574 56.287 -0.086 0.000 0.808 122 K CB 1.735 34.174 32.500 -0.102 0.000 1.142 122 K HN 0.513 nan 8.250 nan 0.000 0.426 123 V N 3.550 123.405 119.914 -0.099 0.000 2.384 123 V HA 0.481 4.602 4.120 0.002 0.000 0.287 123 V C -0.543 175.380 176.094 -0.284 0.000 1.020 123 V CA -0.549 61.547 62.300 -0.340 0.000 0.850 123 V CB 1.208 32.693 31.823 -0.565 0.000 0.987 123 V HN 0.916 nan 8.190 nan 0.000 0.436 124 S N 3.847 119.354 115.700 -0.321 0.000 2.564 124 S HA 0.888 5.359 4.470 0.002 0.000 0.274 124 S C -0.597 173.886 174.600 -0.195 0.000 1.124 124 S CA -0.686 57.396 58.200 -0.195 0.000 0.869 124 S CB 1.931 65.029 63.200 -0.170 0.000 1.105 124 S HN 1.243 nan 8.310 nan 0.000 0.472 125 C N 0.112 119.334 119.300 -0.131 0.000 3.291 125 C HA 0.702 5.163 4.460 0.002 0.000 0.316 125 C C 1.276 176.218 174.990 -0.080 0.000 1.391 125 C CA -0.380 58.532 59.018 -0.177 0.000 1.394 125 C CB 0.734 28.136 27.740 -0.563 0.000 1.744 125 C HN 1.160 nan 8.230 nan 0.000 0.461 126 E N 1.172 121.366 120.200 -0.011 0.000 2.107 126 E HA -0.071 4.281 4.350 0.002 0.000 0.191 126 E C 0.064 176.691 176.600 0.044 0.000 0.982 126 E CA 1.005 57.421 56.400 0.028 0.000 0.809 126 E CB 0.063 29.796 29.700 0.053 0.000 0.756 126 E HN 0.724 nan 8.360 nan 0.000 0.459 127 N N 0.271 119.012 118.700 0.070 0.000 2.372 127 N HA 0.254 4.995 4.740 0.002 0.000 0.285 127 N C -1.114 174.406 175.510 0.017 0.000 1.008 127 N CA -0.020 53.084 53.050 0.089 0.000 0.880 127 N CB 1.886 40.473 38.487 0.167 0.000 1.239 127 N HN 0.071 nan 8.380 nan 0.000 0.484 128 A N 1.676 124.525 122.820 0.048 0.000 2.958 128 A HA 0.052 4.373 4.320 0.002 0.000 0.247 128 A C -0.269 177.333 177.584 0.029 0.000 1.679 128 A CA 0.044 52.087 52.037 0.009 0.000 1.345 128 A CB -0.587 18.509 19.000 0.160 0.000 1.013 128 A HN 0.511 nan 8.150 nan 0.000 0.641 129 D N 1.544 121.971 120.400 0.046 0.000 2.432 129 D HA 0.486 5.127 4.640 0.002 0.000 0.265 129 D C -0.559 175.842 176.300 0.168 0.000 1.160 129 D CA 0.093 54.169 54.000 0.127 0.000 0.911 129 D CB 0.921 41.822 40.800 0.169 0.000 1.052 129 D HN 0.590 nan 8.370 nan 0.000 0.508 130 L N -1.553 119.719 121.223 0.081 0.000 2.710 130 L HA 0.602 4.944 4.340 0.002 0.000 0.260 130 L C -1.751 175.161 176.870 0.070 0.000 0.993 130 L CA -1.034 53.862 54.840 0.093 0.000 0.877 130 L CB 2.617 44.653 42.059 -0.039 0.000 1.461 130 L HN -0.271 nan 8.230 nan 0.000 0.413 131 D N 2.041 122.484 120.400 0.071 0.000 2.163 131 D HA 0.688 5.329 4.640 0.002 0.000 0.248 131 D C -0.685 175.588 176.300 -0.045 0.000 1.035 131 D CA 0.154 54.146 54.000 -0.014 0.000 0.872 131 D CB 2.755 43.515 40.800 -0.067 0.000 1.183 131 D HN 0.511 nan 8.370 nan 0.000 0.445 132 I N 2.308 122.850 120.570 -0.046 0.000 2.410 132 I HA 0.211 4.382 4.170 0.002 0.000 0.286 132 I C -0.833 175.310 176.117 0.043 0.000 1.009 132 I CA -0.861 60.418 61.300 -0.034 0.000 1.111 132 I CB 1.030 39.037 38.000 0.012 0.000 1.262 132 I HN 0.147 nan 8.210 nan 0.000 0.443 133 Y N 5.270 125.670 120.300 0.167 0.000 2.326 133 Y HA 0.426 4.978 4.550 0.002 0.000 0.337 133 Y C 0.146 176.188 175.900 0.236 0.000 1.023 133 Y CA -0.735 57.515 58.100 0.250 0.000 1.143 133 Y CB 1.494 40.157 38.460 0.338 0.000 1.183 133 Y HN 0.200 nan 8.280 nan 0.000 0.485 134 V N 6.161 126.293 119.914 0.363 0.000 2.347 134 V HA 0.321 4.442 4.120 0.002 0.000 0.280 134 V C -0.303 175.962 176.094 0.285 0.000 1.021 134 V CA -0.716 61.756 62.300 0.287 0.000 0.847 134 V CB 0.913 32.832 31.823 0.161 0.000 0.990 134 V HN 0.540 nan 8.190 nan 0.000 0.444 135 I N 4.975 125.723 120.570 0.296 0.000 2.388 135 I HA 0.344 4.515 4.170 0.002 0.000 0.281 135 I C 0.456 176.703 176.117 0.217 0.000 1.046 135 I CA -0.242 61.207 61.300 0.248 0.000 1.187 135 I CB 0.865 39.025 38.000 0.268 0.000 1.351 135 I HN 0.493 nan 8.210 nan 0.000 0.472 136 E N 4.167 124.477 120.200 0.184 0.000 2.392 136 E HA 0.669 5.020 4.350 0.002 0.000 0.259 136 E C 0.362 177.027 176.600 0.109 0.000 1.108 136 E CA -0.131 56.368 56.400 0.164 0.000 0.916 136 E CB 1.444 31.226 29.700 0.135 0.000 0.989 136 E HN 0.759 nan 8.360 nan 0.000 0.432 137 G N 0.595 109.449 108.800 0.092 0.000 2.368 137 G HA2 0.093 4.055 3.960 0.002 0.000 0.293 137 G HA3 0.093 4.055 3.960 0.002 0.000 0.293 137 G C 0.042 174.964 174.900 0.036 0.000 1.467 137 G CA -0.627 44.499 45.100 0.044 0.000 0.804 137 G HN 0.363 nan 8.290 nan 0.000 0.535 138 E N -0.300 119.905 120.200 0.008 0.000 2.085 138 E HA -0.076 4.275 4.350 0.002 0.000 0.194 138 E C 0.831 177.437 176.600 0.010 0.000 0.994 138 E CA 1.905 58.311 56.400 0.010 0.000 0.801 138 E CB -0.049 29.646 29.700 -0.009 0.000 0.743 138 E HN 0.591 nan 8.360 nan 0.000 0.453 139 N N -2.754 115.934 118.700 -0.020 0.000 2.825 139 N HA 0.356 5.097 4.740 0.002 0.000 0.253 139 N C 0.005 175.457 175.510 -0.098 0.000 1.426 139 N CA -0.032 52.997 53.050 -0.034 0.000 0.851 139 N CB 0.598 39.064 38.487 -0.035 0.000 1.470 139 N HN -0.093 nan 8.380 nan 0.000 0.517 140 A N -0.265 122.477 122.820 -0.130 0.000 1.903 140 A HA -0.268 4.053 4.320 0.002 0.000 0.219 140 A C 1.704 179.005 177.584 -0.472 0.000 1.191 140 A CA 1.949 53.840 52.037 -0.242 0.000 0.638 140 A CB -1.331 17.537 19.000 -0.219 0.000 0.823 140 A HN 0.709 nan 8.150 nan 0.000 0.451 141 Y N 0.978 120.713 120.300 -0.943 0.000 2.145 141 Y HA -0.193 4.358 4.550 0.002 0.000 0.286 141 Y C 2.115 177.775 175.900 -0.400 0.000 1.145 141 Y CA 1.768 59.268 58.100 -1.000 0.000 1.148 141 Y CB -0.918 37.050 38.460 -0.819 0.000 0.981 141 Y HN 0.492 nan 8.280 nan 0.000 0.507 142 D N 0.010 120.227 120.400 -0.305 0.000 2.123 142 D HA -0.207 4.435 4.640 0.002 0.000 0.196 142 D C 2.217 178.431 176.300 -0.143 0.000 0.992 142 D CA 1.772 55.608 54.000 -0.272 0.000 0.833 142 D CB -0.456 40.244 40.800 -0.167 0.000 0.954 142 D HN 0.479 nan 8.370 nan 0.000 0.455 143 I N -0.425 120.100 120.570 -0.074 0.000 2.226 143 I HA -0.227 3.944 4.170 0.002 0.000 0.245 143 I C 2.430 178.637 176.117 0.149 0.000 1.100 143 I CA 0.487 61.815 61.300 0.047 0.000 1.374 143 I CB -0.053 37.984 38.000 0.062 0.000 1.057 143 I HN -0.024 nan 8.210 nan 0.000 0.413 144 V N 0.788 120.779 119.914 0.128 0.000 2.358 144 V HA -0.269 3.853 4.120 0.002 0.000 0.246 144 V C 2.376 178.574 176.094 0.174 0.000 1.047 144 V CA 1.769 64.243 62.300 0.291 0.000 1.035 144 V CB -0.619 31.407 31.823 0.338 0.000 0.658 144 V HN 0.384 nan 8.190 nan 0.000 0.452 145 K N -0.331 120.078 120.400 0.015 0.000 2.097 145 K HA -0.180 4.141 4.320 0.002 0.000 0.205 145 K C 2.257 178.819 176.600 -0.063 0.000 1.050 145 K CA 1.371 57.617 56.287 -0.067 0.000 0.938 145 K CB -0.197 32.170 32.500 -0.223 0.000 0.718 145 K HN 0.559 nan 8.250 nan 0.000 0.442 146 Q N -0.188 119.592 119.800 -0.033 0.000 2.124 146 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 146 Q C 1.992 177.969 176.000 -0.038 0.000 0.977 146 Q CA 1.380 57.166 55.803 -0.028 0.000 0.850 146 Q CB -0.202 28.545 28.738 0.015 0.000 0.901 146 Q HN 0.265 nan 8.270 nan 0.000 0.429 147 F N 1.659 121.506 119.950 -0.173 0.000 2.146 147 F HA -0.105 4.423 4.527 0.002 0.000 0.298 147 F C 2.177 177.753 175.800 -0.373 0.000 1.096 147 F CA 1.141 58.924 58.000 -0.362 0.000 1.275 147 F CB 0.060 38.659 39.000 -0.669 0.000 1.008 147 F HN -0.131 nan 8.300 nan 0.000 0.480 148 R N 0.439 120.783 120.500 -0.260 0.000 2.127 148 R HA -0.172 4.170 4.340 0.002 0.000 0.238 148 R C 2.384 178.483 176.300 -0.335 0.000 1.134 148 R CA 1.230 57.129 56.100 -0.335 0.000 0.975 148 R CB -0.898 29.311 30.300 -0.151 0.000 0.865 148 R HN 0.370 nan 8.270 nan 0.000 0.447 149 R N 0.893 121.238 120.500 -0.258 0.000 2.070 149 R HA -0.108 4.233 4.340 0.002 0.000 0.233 149 R C 2.031 178.178 176.300 -0.255 0.000 1.137 149 R CA 1.963 57.936 56.100 -0.211 0.000 0.945 149 R CB -0.095 30.114 30.300 -0.150 0.000 0.845 149 R HN 0.201 nan 8.270 nan 0.000 0.430 150 V N -0.284 119.426 119.914 -0.341 0.000 3.623 150 V HA 0.051 4.172 4.120 0.002 0.000 0.271 150 V C 1.706 177.544 176.094 -0.426 0.000 1.248 150 V CA 0.920 63.020 62.300 -0.334 0.000 1.156 150 V CB -0.476 31.164 31.823 -0.304 0.000 0.870 150 V HN 0.447 nan 8.190 nan 0.000 0.453 151 I N -1.356 118.877 120.570 -0.562 0.000 3.883 151 I HA 0.721 4.893 4.170 0.002 0.000 0.326 151 I C 0.924 176.948 176.117 -0.154 0.000 1.283 151 I CA 0.391 61.401 61.300 -0.484 0.000 1.161 151 I CB -0.250 37.226 38.000 -0.873 0.000 1.012 151 I HN 0.413 nan 8.210 nan 0.000 0.421 152 G N 2.340 111.036 108.800 -0.173 0.000 2.705 152 G HA2 -0.224 3.738 3.960 0.002 0.000 0.686 152 G HA3 -0.224 3.738 3.960 0.002 0.000 0.686 152 G C -0.358 174.486 174.900 -0.092 0.000 1.285 152 G CA -0.389 44.636 45.100 -0.125 0.000 0.800 152 G HN 0.679 nan 8.290 nan 0.000 0.611 153 R N 0.566 120.989 120.500 -0.128 0.000 2.638 153 R HA 0.324 4.666 4.340 0.002 0.000 0.268 153 R C 0.992 177.218 176.300 -0.123 0.000 1.006 153 R CA 0.607 56.629 56.100 -0.131 0.000 1.088 153 R CB 0.050 30.268 30.300 -0.136 0.000 0.950 153 R HN 0.640 nan 8.270 nan 0.000 0.419 154 S N 3.223 118.872 115.700 -0.085 0.000 2.572 154 S HA -0.056 4.416 4.470 0.002 0.000 0.279 154 S C -0.594 173.991 174.600 -0.025 0.000 1.341 154 S CA -0.418 57.768 58.200 -0.023 0.000 1.043 154 S CB 0.324 63.496 63.200 -0.047 0.000 0.887 154 S HN 0.521 nan 8.310 nan 0.000 0.516 155 Y N 2.829 123.085 120.300 -0.073 0.000 2.904 155 Y HA 0.072 4.623 4.550 0.002 0.000 0.336 155 Y C -0.362 175.606 175.900 0.113 0.000 1.263 155 Y CA 0.436 58.545 58.100 0.016 0.000 1.547 155 Y CB -0.012 38.501 38.460 0.087 0.000 1.272 155 Y HN 0.465 nan 8.280 nan 0.000 0.596 156 I N 9.519 129.683 120.570 -0.677 0.000 2.410 156 I HA 0.308 4.480 4.170 0.002 0.000 0.286 156 I C -2.222 173.369 176.117 -0.878 0.000 1.009 156 I CA -2.196 58.792 61.300 -0.520 0.000 1.111 156 I CB 1.712 39.537 38.000 -0.291 0.000 1.262 156 I HN 0.539 nan 8.210 nan 0.000 0.443 157 P HA 0.357 nan 4.420 nan 0.000 0.278 157 P C -2.719 174.372 177.300 -0.347 0.000 1.258 157 P CA -1.940 60.774 63.100 -0.644 0.000 0.811 157 P CB 0.215 31.442 31.700 -0.789 0.000 1.063 158 P HA 0.072 nan 4.420 nan 0.000 0.272 158 P C 0.815 177.866 177.300 -0.415 0.000 1.240 158 P CA -0.115 62.738 63.100 -0.411 0.000 0.791 158 P CB 0.987 32.295 31.700 -0.653 0.000 0.978 159 K N 0.939 121.137 120.400 -0.338 0.000 2.147 159 K HA -0.133 4.188 4.320 0.002 0.000 0.205 159 K C 1.904 178.360 176.600 -0.241 0.000 1.049 159 K CA 1.319 57.333 56.287 -0.455 0.000 0.936 159 K CB -0.540 31.550 32.500 -0.683 0.000 0.722 159 K HN 0.477 nan 8.250 nan 0.000 0.446 160 F N -0.395 119.478 119.950 -0.129 0.000 2.408 160 F HA 0.047 4.575 4.527 0.002 0.000 0.300 160 F C 1.629 177.408 175.800 -0.034 0.000 1.090 160 F CA 0.615 58.565 58.000 -0.083 0.000 1.427 160 F CB -0.795 38.141 39.000 -0.106 0.000 1.070 160 F HN -0.113 nan 8.300 nan 0.000 0.549 161 A N -0.478 122.064 122.820 -0.462 0.000 2.206 161 A HA 0.091 4.412 4.320 0.002 0.000 0.211 161 A C 1.512 179.055 177.584 -0.068 0.000 1.158 161 A CA 0.397 52.271 52.037 -0.272 0.000 0.761 161 A CB -1.463 17.216 19.000 -0.534 0.000 0.801 161 A HN 0.466 nan 8.150 nan 0.000 0.473 162 F N -0.127 119.749 119.950 -0.124 0.000 2.797 162 F HA 0.233 4.762 4.527 0.002 0.000 0.302 162 F C 1.784 177.493 175.800 -0.152 0.000 1.130 162 F CA -0.022 57.924 58.000 -0.090 0.000 1.387 162 F CB 0.118 39.047 39.000 -0.120 0.000 1.107 162 F HN 0.270 nan 8.300 nan 0.000 0.577 163 G N -0.330 108.483 108.800 0.022 0.000 2.508 163 G HA2 0.152 4.113 3.960 0.002 0.000 0.278 163 G HA3 0.152 4.113 3.960 0.002 0.000 0.278 163 G C -1.121 173.832 174.900 0.090 0.000 1.389 163 G CA -0.361 44.695 45.100 -0.073 0.000 1.050 163 G HN 0.037 nan 8.290 nan 0.000 0.522 164 F N -0.118 119.927 119.950 0.158 0.000 2.397 164 F HA 0.671 5.200 4.527 0.002 0.000 0.331 164 F C 0.390 176.268 175.800 0.129 0.000 1.090 164 F CA -0.519 57.582 58.000 0.169 0.000 1.065 164 F CB 1.660 40.834 39.000 0.290 0.000 1.184 164 F HN 0.571 nan 8.300 nan 0.000 0.499 165 G N 3.363 111.605 108.800 -0.930 0.000 2.571 165 G HA2 0.509 4.470 3.960 0.002 0.000 0.304 165 G HA3 0.509 4.470 3.960 0.002 0.000 0.304 165 G C -2.276 172.121 174.900 -0.838 0.000 1.314 165 G CA -0.678 44.074 45.100 -0.580 0.000 0.975 165 G HN 0.694 nan 8.290 nan 0.000 0.485 166 Q N -0.184 119.418 119.800 -0.329 0.000 2.323 166 Q HA 0.736 5.077 4.340 0.002 0.000 0.271 166 Q C -0.475 175.672 176.000 0.244 0.000 1.048 166 Q CA -0.178 55.558 55.803 -0.111 0.000 0.792 166 Q CB 1.611 30.274 28.738 -0.125 0.000 1.280 166 Q HN 1.097 nan 8.270 nan 0.000 0.441 167 S N 2.790 118.653 115.700 0.273 0.000 2.588 167 S HA 0.927 5.398 4.470 0.002 0.000 0.275 167 S C -1.269 173.465 174.600 0.224 0.000 1.130 167 S CA -0.846 57.592 58.200 0.397 0.000 0.855 167 S CB 1.579 nan 63.200 nan 0.000 1.116 167 S HN 0.592 nan 8.310 nan 0.000 0.472 168 R N 0.729 121.062 120.500 -0.277 0.000 2.535 168 R HA 0.277 4.619 4.340 0.002 0.000 0.274 168 R C -2.009 174.184 176.300 -0.178 0.000 1.090 168 R CA -0.583 55.216 56.100 -0.500 0.000 0.930 168 R CB 0.805 30.511 30.300 -0.990 0.000 1.223 168 R HN 0.764 nan 8.270 nan 0.000 0.441 169 W N 5.783 127.018 121.300 -0.108 0.000 2.774 169 W HA 0.297 4.959 4.660 0.003 0.000 0.353 169 W C 0.506 176.956 176.519 -0.115 0.000 1.373 169 W CA 1.217 58.566 57.345 0.007 0.000 1.432 169 W CB -0.041 29.455 29.460 0.060 0.000 1.545 169 W HN 0.913 nan 8.180 nan 0.000 0.531 170 G N 4.782 113.716 108.800 0.223 0.000 3.110 170 G HA2 -0.212 3.749 3.960 0.002 0.000 0.205 170 G HA3 -0.212 3.749 3.960 0.002 0.000 0.205 170 G C -0.470 174.515 174.900 0.141 0.000 1.019 170 G CA -0.572 44.563 45.100 0.059 0.000 0.826 170 G HN 0.210 nan 8.290 nan 0.000 0.481 171 Y N 2.413 122.764 120.300 0.085 0.000 2.650 171 Y HA 0.430 4.981 4.550 0.002 0.000 0.331 171 Y C 1.750 177.720 175.900 0.116 0.000 1.165 171 Y CA 0.600 58.629 58.100 -0.119 0.000 1.473 171 Y CB 1.079 39.203 38.460 -0.560 0.000 1.224 171 Y HN 0.269 nan 8.280 nan 0.000 0.533 172 T N -2.355 112.379 114.554 0.300 0.000 3.051 172 T HA 0.139 4.490 4.350 0.002 0.000 0.254 172 T C 0.493 175.379 174.700 0.309 0.000 0.916 172 T CA 0.511 62.831 62.100 0.368 0.000 0.894 172 T CB -0.111 68.876 68.868 0.199 0.000 1.251 172 T HN 0.541 nan 8.240 nan 0.000 0.517 173 T N -0.485 114.181 114.554 0.187 0.000 2.950 173 T HA 0.551 4.902 4.350 0.002 0.000 0.288 173 T C 0.829 175.602 174.700 0.123 0.000 1.035 173 T CA -0.790 61.288 62.100 -0.035 0.000 1.028 173 T CB 2.301 71.120 68.868 -0.083 0.000 1.109 173 T HN 0.042 nan 8.240 nan 0.000 0.514 174 K N 0.200 120.484 120.400 -0.194 0.000 2.074 174 K HA -0.171 4.150 4.320 0.002 0.000 0.209 174 K C 2.217 178.904 176.600 0.144 0.000 1.048 174 K CA 1.793 57.993 56.287 -0.145 0.000 0.926 174 K CB -0.124 32.158 32.500 -0.363 0.000 0.713 174 K HN 0.740 nan 8.250 nan 0.000 0.444 175 E N 0.730 120.959 120.200 0.048 0.000 2.058 175 E HA -0.220 4.131 4.350 0.002 0.000 0.194 175 E C 1.503 178.142 176.600 0.065 0.000 0.997 175 E CA 1.480 57.913 56.400 0.056 0.000 0.801 175 E CB 0.079 29.784 29.700 0.009 0.000 0.746 175 E HN 0.265 nan 8.360 nan 0.000 0.450 176 D N -0.233 120.194 120.400 0.044 0.000 2.104 176 D HA -0.175 4.466 4.640 0.002 0.000 0.194 176 D C 1.779 177.952 176.300 -0.211 0.000 0.994 176 D CA 1.072 55.025 54.000 -0.078 0.000 0.830 176 D CB -0.453 40.288 40.800 -0.098 0.000 0.959 176 D HN 0.214 nan 8.370 nan 0.000 0.452 177 F N 0.913 120.904 119.950 0.068 0.000 2.206 177 F HA 0.017 4.545 4.527 0.002 0.000 0.298 177 F C 2.589 178.439 175.800 0.083 0.000 1.090 177 F CA 0.710 58.757 58.000 0.080 0.000 1.323 177 F CB -0.195 39.027 39.000 0.369 0.000 1.028 177 F HN -0.198 nan 8.300 nan 0.000 0.492 178 R N -0.005 120.687 120.500 0.321 0.000 2.120 178 R HA -0.115 4.226 4.340 0.002 0.000 0.234 178 R C 2.368 178.699 176.300 0.052 0.000 1.123 178 R CA 1.127 57.335 56.100 0.180 0.000 0.975 178 R CB -0.613 29.797 30.300 0.183 0.000 0.866 178 R HN 0.277 nan 8.270 nan 0.000 0.446 179 A N 0.326 123.154 122.820 0.012 0.000 1.968 179 A HA -0.062 4.260 4.320 0.002 0.000 0.217 179 A C 2.242 179.772 177.584 -0.090 0.000 1.169 179 A CA 0.982 52.982 52.037 -0.061 0.000 0.638 179 A CB -0.206 18.764 19.000 -0.049 0.000 0.812 179 A HN 0.106 nan 8.150 nan 0.000 0.446 180 V N -0.105 119.789 119.914 -0.032 0.000 2.358 180 V HA -0.212 3.909 4.120 0.002 0.000 0.246 180 V C 3.028 179.217 176.094 0.159 0.000 1.047 180 V CA 1.767 64.132 62.300 0.109 0.000 1.035 180 V CB -1.246 30.533 31.823 -0.074 0.000 0.658 180 V HN 0.599 nan 8.190 nan 0.000 0.452 181 A N 0.279 123.138 122.820 0.065 0.000 1.851 181 A HA -0.302 4.019 4.320 0.002 0.000 0.216 181 A C 2.241 179.835 177.584 0.017 0.000 1.195 181 A CA 2.483 54.547 52.037 0.044 0.000 0.622 181 A CB -0.635 18.367 19.000 0.003 0.000 0.831 181 A HN 0.463 nan 8.150 nan 0.000 0.444 182 K N -0.487 119.885 120.400 -0.047 0.000 2.034 182 K HA -0.149 4.172 4.320 0.002 0.000 0.214 182 K C 1.933 178.424 176.600 -0.182 0.000 1.051 182 K CA 2.027 58.249 56.287 -0.108 0.000 0.931 182 K CB -0.967 31.459 32.500 -0.123 0.000 0.715 182 K HN 0.390 nan 8.250 nan 0.000 0.446 183 G N -1.257 107.340 108.800 -0.339 0.000 2.442 183 G HA2 -0.258 3.703 3.960 0.002 0.000 0.219 183 G HA3 -0.258 3.703 3.960 0.002 0.000 0.219 183 G C 1.260 175.996 174.900 -0.272 0.000 1.141 183 G CA 1.259 45.930 45.100 -0.714 0.000 0.763 183 G HN 0.352 nan 8.290 nan 0.000 0.554 184 Y N 0.129 120.409 120.300 -0.034 0.000 2.262 184 Y HA 0.174 4.725 4.550 0.002 0.000 0.295 184 Y C 3.055 178.935 175.900 -0.034 0.000 1.121 184 Y CA 0.766 58.910 58.100 0.073 0.000 1.144 184 Y CB -0.006 38.544 38.460 0.151 0.000 1.043 184 Y HN -0.073 nan 8.280 nan 0.000 0.528 185 R N 0.690 121.234 120.500 0.074 0.000 2.073 185 R HA -0.133 4.208 4.340 0.002 0.000 0.234 185 R C 1.838 177.991 176.300 -0.245 0.000 1.134 185 R CA 1.450 57.512 56.100 -0.064 0.000 0.952 185 R CB -0.620 29.643 30.300 -0.061 0.000 0.850 185 R HN 0.514 nan 8.270 nan 0.000 0.433 186 E N 0.443 120.515 120.200 -0.214 0.000 2.265 186 E HA -0.096 4.255 4.350 0.002 0.000 0.196 186 E C 0.987 177.408 176.600 -0.297 0.000 0.996 186 E CA 0.585 56.824 56.400 -0.269 0.000 0.832 186 E CB -0.027 29.570 29.700 -0.172 0.000 0.756 186 E HN 0.309 nan 8.360 nan 0.000 0.491 187 N N 0.206 118.788 118.700 -0.196 0.000 2.270 187 N HA -0.025 4.716 4.740 0.002 0.000 0.198 187 N C -0.467 175.061 175.510 0.029 0.000 1.117 187 N CA 0.195 53.205 53.050 -0.067 0.000 0.845 187 N CB 0.315 38.778 38.487 -0.040 0.000 0.980 187 N HN 0.214 nan 8.380 nan 0.000 0.486 188 H N -0.367 118.708 119.070 0.008 0.000 2.791 188 H HA -0.149 4.409 4.556 0.002 0.000 0.302 188 H C -0.130 175.204 175.328 0.010 0.000 1.198 188 H CA 0.585 56.635 56.048 0.004 0.000 1.145 188 H CB -1.976 27.782 29.762 -0.006 0.000 1.385 188 H HN 0.306 nan 8.280 nan 0.000 0.409 189 I N 1.885 122.518 120.570 0.104 0.000 2.325 189 I HA 0.172 4.344 4.170 0.002 0.000 0.291 189 I C -1.825 174.373 176.117 0.135 0.000 1.019 189 I CA -1.683 59.692 61.300 0.125 0.000 1.302 189 I CB 1.075 39.158 38.000 0.139 0.000 1.401 189 I HN -0.200 nan 8.210 nan 0.000 0.485 190 P HA 0.328 nan 4.420 nan 0.000 0.269 190 P C -0.633 176.691 177.300 0.041 0.000 1.209 190 P CA 0.006 62.939 63.100 -0.279 0.000 0.776 190 P CB 0.923 32.048 31.700 -0.958 0.000 0.876 191 I N 0.757 121.364 120.570 0.062 0.000 2.763 191 I HA 0.182 4.354 4.170 0.002 0.000 0.292 191 I C -0.970 175.241 176.117 0.157 0.000 1.610 191 I CA -0.220 61.234 61.300 0.257 0.000 1.002 191 I CB 2.255 40.309 38.000 0.090 0.000 1.416 191 I HN 0.159 nan 8.210 nan 0.000 0.479 192 D N 4.908 125.405 120.400 0.162 0.000 2.489 192 D HA 0.393 5.034 4.640 0.002 0.000 0.231 192 D C -0.703 175.557 176.300 -0.067 0.000 1.114 192 D CA 0.365 54.412 54.000 0.077 0.000 0.842 192 D CB 0.628 41.547 40.800 0.199 0.000 1.133 192 D HN 0.329 nan 8.370 nan 0.000 0.506 193 M N 0.936 120.472 119.600 -0.108 0.000 2.433 193 M HA 0.465 4.946 4.480 0.002 0.000 0.290 193 M C -1.530 174.624 176.300 -0.243 0.000 1.173 193 M CA -0.504 54.656 55.300 -0.232 0.000 0.905 193 M CB 3.400 35.839 32.600 -0.268 0.000 1.692 193 M HN -0.268 nan 8.290 nan 0.000 0.462 194 I N 2.184 122.609 120.570 -0.241 0.000 2.447 194 I HA 0.379 4.551 4.170 0.002 0.000 0.287 194 I C -1.334 174.760 176.117 -0.037 0.000 1.023 194 I CA -0.796 60.483 61.300 -0.034 0.000 1.083 194 I CB 1.459 39.530 38.000 0.120 0.000 1.245 194 I HN 0.558 nan 8.210 nan 0.000 0.434 195 Y N 5.788 126.159 120.300 0.119 0.000 2.309 195 Y HA 0.392 4.943 4.550 0.002 0.000 0.327 195 Y C 0.402 176.581 175.900 0.465 0.000 1.172 195 Y CA -0.259 57.911 58.100 0.117 0.000 1.280 195 Y CB 0.907 39.205 38.460 -0.270 0.000 1.234 195 Y HN 0.365 nan 8.280 nan 0.000 0.512 196 M N 3.421 123.372 119.600 0.585 0.000 2.101 196 M HA 0.234 4.715 4.480 0.002 0.000 0.340 196 M C -0.768 175.943 176.300 0.685 0.000 1.057 196 M CA -0.568 55.110 55.300 0.630 0.000 0.984 196 M CB 1.033 33.692 32.600 0.098 0.000 1.560 196 M HN 0.621 nan 8.290 nan 0.000 0.435 197 D N 2.186 123.000 120.400 0.690 0.000 2.506 197 D HA 0.295 4.936 4.640 0.002 0.000 0.272 197 D C 1.315 177.845 176.300 0.384 0.000 1.214 197 D CA -0.371 53.920 54.000 0.484 0.000 1.067 197 D CB 1.076 42.146 40.800 0.450 0.000 1.117 197 D HN 0.733 nan 8.370 nan 0.000 0.578 198 I N -1.712 118.905 120.570 0.077 0.000 2.657 198 I HA -0.167 4.004 4.170 0.002 0.000 0.261 198 I C 0.782 176.951 176.117 0.087 0.000 1.212 198 I CA 1.134 62.435 61.300 0.001 0.000 1.453 198 I CB -0.192 37.695 38.000 -0.189 0.000 1.092 198 I HN 0.068 nan 8.210 nan 0.000 0.452 199 D N 1.278 121.815 120.400 0.228 0.000 2.348 199 D HA -0.160 4.481 4.640 0.002 0.000 0.216 199 D C 1.896 178.281 176.300 0.141 0.000 0.970 199 D CA 1.231 55.332 54.000 0.168 0.000 0.889 199 D CB -0.142 40.820 40.800 0.270 0.000 0.912 199 D HN 0.756 nan 8.370 nan 0.000 0.524 200 Y N 0.142 120.559 120.300 0.194 0.000 2.509 200 Y HA 0.123 4.675 4.550 0.002 0.000 0.293 200 Y C 1.065 176.988 175.900 0.038 0.000 1.133 200 Y CA -0.187 58.039 58.100 0.211 0.000 1.283 200 Y CB -0.410 38.109 38.460 0.099 0.000 1.001 200 Y HN -0.211 nan 8.280 nan 0.000 0.555 201 M N 0.974 120.138 119.600 -0.727 0.000 2.197 201 M HA 0.162 4.643 4.480 0.002 0.000 0.305 201 M C -0.209 175.862 176.300 -0.382 0.000 1.162 201 M CA -0.761 54.153 55.300 -0.644 0.000 1.099 201 M CB 0.495 32.693 32.600 -0.671 0.000 1.430 201 M HN -0.025 nan 8.290 nan 0.000 0.481 202 Q N 1.726 121.337 119.800 -0.316 0.000 2.344 202 Q HA 0.057 4.399 4.340 0.002 0.000 0.253 202 Q C -1.047 174.732 176.000 -0.369 0.000 1.050 202 Q CA 0.534 56.169 55.803 -0.280 0.000 0.912 202 Q CB -0.191 28.425 28.738 -0.203 0.000 1.258 202 Q HN 0.541 nan 8.270 nan 0.000 0.443 203 D N 5.059 125.181 120.400 -0.463 0.000 2.686 203 D HA -0.268 4.373 4.640 0.002 0.000 0.235 203 D C -0.684 175.387 176.300 -0.383 0.000 1.160 203 D CA 1.021 54.721 54.000 -0.499 0.000 0.645 203 D CB -1.081 39.576 40.800 -0.238 0.000 1.039 203 D HN 0.786 nan 8.370 nan 0.000 0.423 204 F N -2.890 116.959 119.950 -0.167 0.000 3.069 204 F HA -0.290 4.238 4.527 0.002 0.000 0.285 204 F C 0.973 176.647 175.800 -0.209 0.000 0.827 204 F CA 0.854 58.755 58.000 -0.165 0.000 1.108 204 F CB -2.149 36.831 39.000 -0.033 0.000 1.252 204 F HN 0.043 nan 8.300 nan 0.000 0.483 205 K N 1.305 121.566 120.400 -0.232 0.000 2.316 205 K HA 0.231 4.552 4.320 0.002 0.000 0.289 205 K C 0.218 176.684 176.600 -0.225 0.000 1.070 205 K CA -0.542 55.544 56.287 -0.336 0.000 0.928 205 K CB 0.399 32.439 32.500 -0.767 0.000 1.039 205 K HN -0.021 nan 8.250 nan 0.000 0.480 206 D N 2.300 122.653 120.400 -0.079 0.000 2.506 206 D HA -0.098 4.543 4.640 0.002 0.000 0.234 206 D C 0.091 176.253 176.300 -0.229 0.000 1.143 206 D CA 0.624 54.449 54.000 -0.293 0.000 0.871 206 D CB 0.087 40.729 40.800 -0.263 0.000 1.190 206 D HN 0.434 nan 8.370 nan 0.000 0.459 207 F N -1.520 118.325 119.950 -0.174 0.000 3.091 207 F HA -0.265 4.264 4.527 0.002 0.000 0.288 207 F C 0.956 176.359 175.800 -0.663 0.000 0.907 207 F CA 0.848 58.649 58.000 -0.331 0.000 1.028 207 F CB -2.567 36.169 39.000 -0.440 0.000 1.022 207 F HN 0.302 nan 8.300 nan 0.000 0.665 208 T N -2.539 111.876 114.554 -0.230 0.000 2.887 208 T HA 0.894 5.246 4.350 0.002 0.000 0.292 208 T C -0.379 174.338 174.700 0.028 0.000 1.087 208 T CA -0.314 61.672 62.100 -0.191 0.000 1.009 208 T CB 2.613 71.357 68.868 -0.207 0.000 1.203 208 T HN 0.962 nan 8.240 nan 0.000 0.518 209 V N -0.218 119.752 119.914 0.093 0.000 2.735 209 V HA 0.617 4.739 4.120 0.002 0.000 0.310 209 V C -0.093 176.018 176.094 0.028 0.000 1.061 209 V CA -1.232 61.071 62.300 0.006 0.000 0.913 209 V CB 1.709 33.424 31.823 -0.180 0.000 1.005 209 V HN 1.067 nan 8.190 nan 0.000 0.428 210 N N 2.822 121.565 118.700 0.073 0.000 2.414 210 N HA -0.002 4.740 4.740 0.002 0.000 0.268 210 N C 0.985 176.538 175.510 0.072 0.000 1.286 210 N CA 0.761 53.836 53.050 0.042 0.000 0.896 210 N CB 1.005 39.523 38.487 0.051 0.000 1.093 210 N HN 0.917 nan 8.380 nan 0.000 0.480 211 E N 3.492 123.702 120.200 0.017 0.000 2.152 211 E HA -0.188 4.163 4.350 0.002 0.000 0.192 211 E C 1.435 178.035 176.600 -0.000 0.000 0.983 211 E CA 0.802 57.221 56.400 0.032 0.000 0.818 211 E CB 0.203 29.913 29.700 0.017 0.000 0.758 211 E HN 0.625 nan 8.360 nan 0.000 0.467 212 K N 0.915 121.289 120.400 -0.044 0.000 2.062 212 K HA -0.098 4.223 4.320 0.002 0.000 0.205 212 K C 1.660 178.178 176.600 -0.138 0.000 1.051 212 K CA 1.212 57.456 56.287 -0.073 0.000 0.941 212 K CB 0.167 32.620 32.500 -0.078 0.000 0.719 212 K HN -0.018 nan 8.250 nan 0.000 0.440 213 N N -0.332 118.231 118.700 -0.228 0.000 2.333 213 N HA -0.024 4.717 4.740 0.002 0.000 0.178 213 N C -0.274 174.786 175.510 -0.749 0.000 1.018 213 N CA 0.764 53.499 53.050 -0.523 0.000 0.882 213 N CB 0.324 38.393 38.487 -0.698 0.000 0.984 213 N HN 0.072 nan 8.380 nan 0.000 0.434 214 F N 0.818 120.750 119.950 -0.030 0.000 2.523 214 F HA 0.373 4.902 4.527 0.002 0.000 0.322 214 F C -1.671 174.165 175.800 0.060 0.000 1.361 214 F CA -1.933 56.075 58.000 0.014 0.000 1.151 214 F CB 1.517 40.551 39.000 0.057 0.000 1.391 214 F HN -0.108 nan 8.300 nan 0.000 0.566 215 P HA -0.067 nan 4.420 nan 0.000 0.230 215 P C 0.016 177.406 177.300 0.150 0.000 1.158 215 P CA 1.141 64.312 63.100 0.118 0.000 0.769 215 P CB 0.258 31.991 31.700 0.055 0.000 0.807 216 D N -1.983 118.536 120.400 0.198 0.000 2.945 216 D HA 0.019 4.660 4.640 0.002 0.000 0.369 216 D C 0.694 177.139 176.300 0.242 0.000 1.294 216 D CA -0.967 53.140 54.000 0.178 0.000 0.778 216 D CB -1.015 39.861 40.800 0.125 0.000 1.188 216 D HN -0.125 nan 8.370 nan 0.000 0.479 217 F N 2.153 122.173 119.950 0.116 0.000 2.126 217 F HA 0.019 4.548 4.527 0.002 0.000 0.299 217 F C -0.938 174.882 175.800 0.034 0.000 1.096 217 F CA 0.882 58.935 58.000 0.089 0.000 1.255 217 F CB -1.007 38.000 39.000 0.011 0.000 0.997 217 F HN 0.073 nan 8.300 nan 0.000 0.479 218 P HA -0.205 nan 4.420 nan 0.000 0.218 218 P C 1.391 178.589 177.300 -0.170 0.000 1.148 218 P CA 1.957 64.953 63.100 -0.174 0.000 0.822 218 P CB -0.074 31.589 31.700 -0.062 0.000 0.784 219 E N -1.993 118.173 120.200 -0.056 0.000 2.107 219 E HA -0.143 4.208 4.350 0.002 0.000 0.191 219 E C 1.667 178.249 176.600 -0.030 0.000 0.982 219 E CA 0.542 56.924 56.400 -0.030 0.000 0.809 219 E CB -0.452 29.270 29.700 0.036 0.000 0.756 219 E HN 0.109 nan 8.360 nan 0.000 0.459 220 F N 0.064 119.915 119.950 -0.165 0.000 2.206 220 F HA -0.104 4.424 4.527 0.002 0.000 0.298 220 F C 1.820 177.424 175.800 -0.326 0.000 1.090 220 F CA 0.763 58.664 58.000 -0.165 0.000 1.323 220 F CB -0.140 38.845 39.000 -0.026 0.000 1.028 220 F HN -0.137 nan 8.300 nan 0.000 0.492 221 V N 0.850 120.436 119.914 -0.546 0.000 2.343 221 V HA -0.325 3.796 4.120 0.002 0.000 0.247 221 V C 2.498 178.304 176.094 -0.480 0.000 1.051 221 V CA 2.319 64.225 62.300 -0.657 0.000 1.036 221 V CB -0.771 30.612 31.823 -0.733 0.000 0.654 221 V HN 0.320 nan 8.190 nan 0.000 0.451 222 K N 0.121 120.309 120.400 -0.353 0.000 2.103 222 K HA -0.220 4.102 4.320 0.002 0.000 0.204 222 K C 2.215 178.654 176.600 -0.269 0.000 1.052 222 K CA 1.619 57.745 56.287 -0.267 0.000 0.945 222 K CB -0.111 32.278 32.500 -0.184 0.000 0.722 222 K HN 0.587 nan 8.250 nan 0.000 0.443 223 E N 0.125 120.149 120.200 -0.293 0.000 2.070 223 E HA -0.234 4.117 4.350 0.002 0.000 0.197 223 E C 1.914 178.304 176.600 -0.349 0.000 1.004 223 E CA 1.500 57.731 56.400 -0.282 0.000 0.805 223 E CB 0.054 29.591 29.700 -0.271 0.000 0.744 223 E HN 0.264 nan 8.360 nan 0.000 0.451 224 M N 0.495 119.787 119.600 -0.513 0.000 2.156 224 M HA -0.093 4.388 4.480 0.002 0.000 0.264 224 M C 2.349 178.449 176.300 -0.332 0.000 1.067 224 M CA 1.329 56.360 55.300 -0.449 0.000 1.131 224 M CB -0.809 31.445 32.600 -0.576 0.000 1.368 224 M HN 0.056 nan 8.290 nan 0.000 0.416 225 K N 0.405 120.601 120.400 -0.340 0.000 2.147 225 K HA -0.179 4.142 4.320 0.002 0.000 0.205 225 K C 1.155 177.621 176.600 -0.223 0.000 1.049 225 K CA 1.258 57.370 56.287 -0.293 0.000 0.936 225 K CB 0.044 32.364 32.500 -0.300 0.000 0.722 225 K HN 0.173 nan 8.250 nan 0.000 0.446 226 D N 0.914 121.194 120.400 -0.200 0.000 2.309 226 D HA -0.135 4.506 4.640 0.002 0.000 0.212 226 D C 0.930 177.151 176.300 -0.131 0.000 0.968 226 D CA 1.097 55.007 54.000 -0.149 0.000 0.882 226 D CB 0.139 40.860 40.800 -0.131 0.000 0.918 226 D HN 0.413 nan 8.370 nan 0.000 0.503 227 Q N 0.093 119.804 119.800 -0.150 0.000 2.220 227 Q HA 0.057 4.398 4.340 0.002 0.000 0.205 227 Q C -0.390 175.538 176.000 -0.119 0.000 0.865 227 Q CA -0.147 55.584 55.803 -0.121 0.000 0.960 227 Q CB 0.818 29.483 28.738 -0.122 0.000 1.097 227 Q HN -0.023 nan 8.270 nan 0.000 0.493 228 E N 0.186 120.301 120.200 -0.142 0.000 2.476 228 E HA -0.211 4.141 4.350 0.002 0.000 0.251 228 E C -1.021 175.480 176.600 -0.165 0.000 1.130 228 E CA 0.778 57.090 56.400 -0.147 0.000 0.736 228 E CB -1.630 28.018 29.700 -0.087 0.000 1.298 228 E HN 0.424 nan 8.360 nan 0.000 0.400 229 L N 0.828 121.923 121.223 -0.212 0.000 2.316 229 L HA 0.391 4.733 4.340 0.002 0.000 0.280 229 L C 0.642 177.316 176.870 -0.325 0.000 1.006 229 L CA -0.400 54.301 54.840 -0.232 0.000 0.836 229 L CB 1.282 43.222 42.059 -0.198 0.000 1.221 229 L HN -0.180 nan 8.230 nan 0.000 0.418 230 R N 4.123 124.393 120.500 -0.383 0.000 2.207 230 R HA 0.485 4.826 4.340 0.002 0.000 0.334 230 R C -0.751 175.301 176.300 -0.413 0.000 1.013 230 R CA -0.687 55.126 56.100 -0.478 0.000 0.858 230 R CB 1.235 31.087 30.300 -0.747 0.000 1.094 230 R HN 0.511 nan 8.270 nan 0.000 0.457 231 L N 4.753 125.736 121.223 -0.399 0.000 2.462 231 L HA 0.152 4.493 4.340 0.002 0.000 0.272 231 L C 0.105 176.767 176.870 -0.348 0.000 1.166 231 L CA 0.118 54.746 54.840 -0.354 0.000 0.880 231 L CB 0.391 42.220 42.059 -0.382 0.000 1.142 231 L HN 0.450 nan 8.230 nan 0.000 0.473 232 I N 5.141 125.513 120.570 -0.331 0.000 2.460 232 I HA 0.329 4.500 4.170 0.002 0.000 0.277 232 I C -2.347 173.813 176.117 0.072 0.000 1.057 232 I CA -2.188 58.948 61.300 -0.273 0.000 1.179 232 I CB 0.861 38.523 38.000 -0.563 0.000 1.329 232 I HN 0.248 nan 8.210 nan 0.000 0.478 233 P HA 0.358 nan 4.420 nan 0.000 0.282 233 P C 0.021 177.450 177.300 0.214 0.000 1.249 233 P CA -0.421 62.673 63.100 -0.010 0.000 0.806 233 P CB 1.604 33.091 31.700 -0.354 0.000 0.984 234 I N 2.942 123.534 120.570 0.037 0.000 2.532 234 I HA 0.306 4.477 4.170 0.002 0.000 0.292 234 I C -0.613 175.430 176.117 -0.124 0.000 1.014 234 I CA -0.429 60.560 61.300 -0.519 0.000 1.340 234 I CB 0.357 37.748 38.000 -1.014 0.000 1.422 234 I HN 0.098 nan 8.210 nan 0.000 0.528 235 I N 6.077 126.535 120.570 -0.186 0.000 2.498 235 I HA 0.384 4.555 4.170 0.002 0.000 0.290 235 I C -0.739 175.330 176.117 -0.079 0.000 1.032 235 I CA -0.499 60.689 61.300 -0.187 0.000 1.073 235 I CB 1.632 39.458 38.000 -0.291 0.000 1.251 235 I HN 0.501 nan 8.210 nan 0.000 0.426 236 D N 3.234 123.610 120.400 -0.041 0.000 2.326 236 D HA 0.513 5.154 4.640 0.002 0.000 0.248 236 D C 0.775 177.175 176.300 0.167 0.000 1.001 236 D CA -0.419 53.621 54.000 0.067 0.000 0.961 236 D CB 2.160 43.010 40.800 0.083 0.000 1.183 236 D HN 0.563 nan 8.370 nan 0.000 0.502 237 A N 0.662 123.594 122.820 0.186 0.000 1.968 237 A HA 0.184 4.505 4.320 0.002 0.000 0.217 237 A C 1.220 179.015 177.584 0.351 0.000 1.169 237 A CA 1.085 53.274 52.037 0.253 0.000 0.638 237 A CB -0.483 18.667 19.000 0.251 0.000 0.812 237 A HN 0.453 nan 8.150 nan 0.000 0.446 238 G N -0.135 108.836 108.800 0.284 0.000 2.333 238 G HA2 0.467 4.428 3.960 0.002 0.000 0.290 238 G HA3 0.467 4.428 3.960 0.002 0.000 0.290 238 G C -0.583 174.387 174.900 0.116 0.000 1.150 238 G CA -0.212 44.986 45.100 0.164 0.000 0.895 238 G HN 0.124 nan 8.290 nan 0.000 0.444 239 V N 3.725 123.717 119.914 0.130 0.000 2.406 239 V HA 0.191 4.312 4.120 0.002 0.000 0.272 239 V C 0.834 176.980 176.094 0.087 0.000 1.043 239 V CA -0.854 61.598 62.300 0.252 0.000 0.915 239 V CB 1.163 33.284 31.823 0.497 0.000 0.988 239 V HN 0.811 nan 8.190 nan 0.000 0.466 240 K N 4.032 124.532 120.400 0.167 0.000 2.484 240 K HA 0.120 4.441 4.320 0.002 0.000 0.280 240 K C -0.447 176.077 176.600 -0.127 0.000 1.013 240 K CA -0.254 56.017 56.287 -0.027 0.000 1.029 240 K CB 0.635 33.096 32.500 -0.064 0.000 0.902 240 K HN 0.493 nan 8.250 nan 0.000 0.481 241 V N 5.183 124.836 119.914 -0.434 0.000 2.439 241 V HA 0.108 4.229 4.120 0.002 0.000 0.271 241 V C 0.044 175.746 176.094 -0.653 0.000 1.040 241 V CA 0.313 62.128 62.300 -0.809 0.000 1.002 241 V CB 0.274 31.657 31.823 -0.733 0.000 1.000 241 V HN 0.888 nan 8.190 nan 0.000 0.477 242 E N 4.554 124.248 120.200 -0.843 0.000 2.397 242 E HA 0.221 4.572 4.350 0.002 0.000 0.293 242 E C -0.862 175.680 176.600 -0.097 0.000 0.930 242 E CA -0.798 55.416 56.400 -0.310 0.000 0.793 242 E CB 1.306 30.947 29.700 -0.098 0.000 1.259 242 E HN 0.568 nan 8.360 nan 0.000 0.406 243 K N 2.742 123.144 120.400 0.002 0.000 2.416 243 K HA 0.219 4.540 4.320 0.002 0.000 0.283 243 K C 0.679 177.381 176.600 0.170 0.000 1.037 243 K CA 1.587 57.967 56.287 0.156 0.000 0.995 243 K CB 0.457 33.016 32.500 0.099 0.000 0.938 243 K HN 0.834 nan 8.250 nan 0.000 0.475 244 G N 3.586 112.518 108.800 0.220 0.000 2.258 244 G HA2 -0.313 3.648 3.960 0.002 0.000 0.233 244 G HA3 -0.313 3.648 3.960 0.002 0.000 0.233 244 G C -0.307 174.736 174.900 0.239 0.000 1.006 244 G CA 0.275 45.482 45.100 0.177 0.000 0.620 244 G HN 0.719 nan 8.290 nan 0.000 0.511 245 Y N 2.990 123.377 120.300 0.146 0.000 2.605 245 Y HA 0.462 5.013 4.550 0.002 0.000 0.336 245 Y C 1.367 177.394 175.900 0.211 0.000 1.111 245 Y CA 0.295 58.482 58.100 0.144 0.000 1.422 245 Y CB 0.565 39.099 38.460 0.123 0.000 1.193 245 Y HN 0.450 nan 8.280 nan 0.000 0.526 246 E N 3.287 123.544 120.200 0.096 0.000 2.153 246 E HA -0.128 4.223 4.350 0.002 0.000 0.194 246 E C 1.462 177.996 176.600 -0.110 0.000 0.988 246 E CA 1.375 57.774 56.400 -0.001 0.000 0.811 246 E CB 0.227 29.950 29.700 0.038 0.000 0.746 246 E HN 0.688 nan 8.360 nan 0.000 0.466 247 V N 0.606 120.254 119.914 -0.443 0.000 2.427 247 V HA -0.235 3.886 4.120 0.002 0.000 0.248 247 V C 2.042 178.181 176.094 0.075 0.000 1.051 247 V CA 1.893 64.075 62.300 -0.197 0.000 1.048 247 V CB -0.691 30.954 31.823 -0.295 0.000 0.666 247 V HN 0.424 nan 8.190 nan 0.000 0.456 248 Y N 1.427 121.511 120.300 -0.359 0.000 2.133 248 Y HA -0.180 4.371 4.550 0.002 0.000 0.287 248 Y C 2.609 178.636 175.900 0.212 0.000 1.134 248 Y CA 1.880 60.074 58.100 0.156 0.000 1.133 248 Y CB -0.289 38.243 38.460 0.120 0.000 0.987 248 Y HN 0.215 nan 8.280 nan 0.000 0.502 249 E N 0.761 120.878 120.200 -0.139 0.000 2.070 249 E HA -0.247 4.104 4.350 0.002 0.000 0.197 249 E C 2.029 178.480 176.600 -0.248 0.000 1.004 249 E CA 1.948 58.205 56.400 -0.239 0.000 0.805 249 E CB -0.372 29.306 29.700 -0.037 0.000 0.744 249 E HN 0.718 nan 8.360 nan 0.000 0.451 250 E N -0.064 120.057 120.200 -0.131 0.000 2.110 250 E HA -0.121 4.230 4.350 0.002 0.000 0.193 250 E C 2.164 178.404 176.600 -0.601 0.000 0.988 250 E CA 0.950 57.221 56.400 -0.214 0.000 0.804 250 E CB -0.253 29.509 29.700 0.104 0.000 0.745 250 E HN 0.314 nan 8.360 nan 0.000 0.458 251 G N 0.800 109.212 108.800 -0.647 0.000 2.408 251 G HA2 -0.195 3.766 3.960 0.002 0.000 0.217 251 G HA3 -0.195 3.766 3.960 0.002 0.000 0.217 251 G C 1.719 176.031 174.900 -0.980 0.000 1.150 251 G CA 0.530 44.809 45.100 -1.370 0.000 0.776 251 G HN 0.096 nan 8.290 nan 0.000 0.542 252 V N 0.850 120.479 119.914 -0.476 0.000 2.255 252 V HA -0.088 4.034 4.120 0.002 0.000 0.243 252 V C 2.648 178.529 176.094 -0.354 0.000 1.038 252 V CA 2.160 64.292 62.300 -0.280 0.000 1.008 252 V CB -0.365 31.280 31.823 -0.296 0.000 0.645 252 V HN 0.339 nan 8.190 nan 0.000 0.449 253 K N 1.043 121.218 120.400 -0.375 0.000 2.113 253 K HA -0.155 4.167 4.320 0.002 0.000 0.208 253 K C 1.567 177.911 176.600 -0.427 0.000 1.047 253 K CA 1.774 57.863 56.287 -0.330 0.000 0.928 253 K CB -0.322 32.010 32.500 -0.279 0.000 0.716 253 K HN 0.482 nan 8.250 nan 0.000 0.446 254 N N 0.742 119.034 118.700 -0.680 0.000 2.230 254 N HA 0.013 4.754 4.740 0.002 0.000 0.202 254 N C -0.754 174.198 175.510 -0.931 0.000 1.119 254 N CA 0.151 52.642 53.050 -0.931 0.000 0.851 254 N CB 0.260 37.822 38.487 -1.541 0.000 0.990 254 N HN 0.189 nan 8.380 nan 0.000 0.497 255 N N 0.807 119.130 118.700 -0.628 0.000 2.725 255 N HA -0.207 4.534 4.740 0.002 0.000 0.251 255 N C -0.467 174.853 175.510 -0.316 0.000 1.031 255 N CA 0.517 53.340 53.050 -0.379 0.000 0.720 255 N CB -1.431 36.919 38.487 -0.229 0.000 0.930 255 N HN 0.382 nan 8.380 nan 0.000 0.543 256 Y N -1.311 118.675 120.300 -0.524 0.000 2.457 256 Y HA 0.285 4.837 4.550 0.002 0.000 0.263 256 Y C 0.851 176.580 175.900 -0.285 0.000 1.164 256 Y CA -0.282 57.511 58.100 -0.511 0.000 1.274 256 Y CB 0.240 38.109 38.460 -0.985 0.000 1.097 256 Y HN 0.065 nan 8.280 nan 0.000 0.523 257 F N -1.080 118.908 119.950 0.063 0.000 2.403 257 F HA 0.346 4.874 4.527 0.002 0.000 0.326 257 F C 0.713 176.568 175.800 0.092 0.000 1.081 257 F CA -1.946 56.109 58.000 0.092 0.000 1.041 257 F CB 0.263 39.242 39.000 -0.034 0.000 1.234 257 F HN -0.292 nan 8.300 nan 0.000 0.503 258 C N 2.284 121.806 119.300 0.370 0.000 2.662 258 C HA 0.346 4.807 4.460 0.002 0.000 0.420 258 C C 0.383 175.511 174.990 0.229 0.000 1.314 258 C CA -0.708 58.469 59.018 0.265 0.000 1.963 258 C CB -0.649 27.222 27.740 0.219 0.000 2.686 258 C HN 0.630 nan 8.230 nan 0.000 0.609 259 K N 1.659 122.209 120.400 0.251 0.000 2.340 259 K HA 0.526 4.847 4.320 0.002 0.000 0.244 259 K C -0.244 176.543 176.600 0.312 0.000 0.973 259 K CA -0.680 55.738 56.287 0.218 0.000 0.828 259 K CB 1.528 34.102 32.500 0.122 0.000 1.226 259 K HN 0.588 nan 8.250 nan 0.000 0.437 260 R N 1.144 121.803 120.500 0.264 0.000 2.649 260 R HA -0.001 4.341 4.340 0.002 0.000 0.270 260 R C 1.283 177.660 176.300 0.127 0.000 1.105 260 R CA -0.090 56.178 56.100 0.280 0.000 1.193 260 R CB 0.303 30.744 30.300 0.235 0.000 1.120 260 R HN 0.806 nan 8.270 nan 0.000 0.561 261 E N 0.951 121.196 120.200 0.075 0.000 2.130 261 E HA -0.254 4.098 4.350 0.002 0.000 0.196 261 E C 0.688 177.201 176.600 -0.144 0.000 0.998 261 E CA 1.683 57.925 56.400 -0.264 0.000 0.806 261 E CB -0.223 29.387 29.700 -0.149 0.000 0.738 261 E HN 0.645 nan 8.360 nan 0.000 0.459 262 D N 0.203 120.585 120.400 -0.030 0.000 2.352 262 D HA 0.012 4.654 4.640 0.002 0.000 0.232 262 D C 1.351 177.640 176.300 -0.018 0.000 1.055 262 D CA 0.722 54.710 54.000 -0.020 0.000 0.891 262 D CB 0.149 40.955 40.800 0.011 0.000 0.897 262 D HN 0.405 nan 8.370 nan 0.000 0.529 263 G N 0.197 108.984 108.800 -0.022 0.000 2.179 263 G HA2 -0.304 3.657 3.960 0.002 0.000 0.260 263 G HA3 -0.304 3.657 3.960 0.002 0.000 0.260 263 G C 0.394 175.299 174.900 0.008 0.000 0.977 263 G CA 0.502 45.595 45.100 -0.013 0.000 0.641 263 G HN 0.833 nan 8.290 nan 0.000 0.533 264 S N 0.440 116.159 115.700 0.031 0.000 2.585 264 S HA 0.488 4.959 4.470 0.002 0.000 0.273 264 S C -0.182 174.437 174.600 0.033 0.000 1.339 264 S CA -0.412 57.807 58.200 0.031 0.000 1.028 264 S CB 1.590 64.820 63.200 0.049 0.000 0.906 264 S HN 0.184 nan 8.310 nan 0.000 0.528 265 D N 1.904 122.274 120.400 -0.050 0.000 2.358 265 D HA 0.146 4.787 4.640 0.002 0.000 0.258 265 D C -0.269 175.962 176.300 -0.115 0.000 1.223 265 D CA 0.075 53.948 54.000 -0.211 0.000 0.886 265 D CB 0.036 40.456 40.800 -0.633 0.000 1.120 265 D HN 0.546 nan 8.370 nan 0.000 0.482 266 F N 3.204 123.068 119.950 -0.143 0.000 2.538 266 F HA 0.105 4.634 4.527 0.002 0.000 0.371 266 F C -0.330 175.404 175.800 -0.109 0.000 1.087 266 F CA -0.322 57.625 58.000 -0.088 0.000 1.250 266 F CB 0.588 39.534 39.000 -0.090 0.000 1.110 266 F HN 0.015 nan 8.300 nan 0.000 0.570 267 V N 6.396 125.724 119.914 -0.976 0.000 2.370 267 V HA 0.715 4.836 4.120 0.002 0.000 0.283 267 V C -0.093 175.243 176.094 -1.264 0.000 1.023 267 V CA -0.473 61.316 62.300 -0.851 0.000 0.857 267 V CB 0.822 32.372 31.823 -0.455 0.000 0.985 267 V HN 1.020 nan 8.190 nan 0.000 0.443 268 A N 4.228 126.401 122.820 -1.078 0.000 2.356 268 A HA 0.897 5.219 4.320 0.002 0.000 0.310 268 A C -0.038 177.077 177.584 -0.782 0.000 1.075 268 A CA -0.444 51.057 52.037 -0.893 0.000 0.746 268 A CB 1.464 19.941 19.000 -0.873 0.000 1.221 268 A HN 1.211 nan 8.150 nan 0.000 0.443 269 A N 2.081 124.410 122.820 -0.817 0.000 2.366 269 A HA 0.641 4.962 4.320 0.002 0.000 0.272 269 A C 0.243 177.292 177.584 -0.892 0.000 1.135 269 A CA -0.062 51.452 52.037 -0.871 0.000 0.804 269 A CB -0.079 18.035 19.000 -1.476 0.000 1.064 269 A HN 1.434 nan 8.150 nan 0.000 0.499 270 V N 0.655 120.060 119.914 -0.847 0.000 4.306 270 V HA 0.307 4.429 4.120 0.002 0.000 0.303 270 V C 0.940 176.561 176.094 -0.787 0.000 1.454 270 V CA -0.716 60.771 62.300 -1.356 0.000 0.910 270 V CB -0.444 30.769 31.823 -1.016 0.000 1.241 270 V HN 1.074 nan 8.190 nan 0.000 0.466 271 W N 0.299 121.314 121.300 -0.474 0.000 2.321 271 W HA -0.030 4.631 4.660 0.002 0.000 0.306 271 W C -0.705 175.555 176.519 -0.432 0.000 1.217 271 W CA 1.661 58.749 57.345 -0.428 0.000 1.257 271 W CB -1.628 27.447 29.460 -0.641 0.000 1.145 271 W HN 0.469 nan 8.180 nan 0.000 0.509 272 P HA 0.172 nan 4.420 nan 0.000 0.249 272 P C 0.798 178.093 177.300 -0.009 0.000 1.241 272 P CA 1.525 64.679 63.100 0.090 0.000 0.781 272 P CB 0.059 31.779 31.700 0.034 0.000 1.088 273 G N 0.120 108.873 108.800 -0.079 0.000 2.496 273 G HA2 -0.195 3.766 3.960 0.002 0.000 0.243 273 G HA3 -0.195 3.766 3.960 0.002 0.000 0.243 273 G C -1.016 173.730 174.900 -0.257 0.000 1.176 273 G CA -0.483 44.553 45.100 -0.107 0.000 0.940 273 G HN 0.132 nan 8.290 nan 0.000 0.573 274 D N 2.246 122.493 120.400 -0.256 0.000 2.458 274 D HA 0.502 5.143 4.640 0.002 0.000 0.243 274 D C 1.053 177.075 176.300 -0.462 0.000 1.146 274 D CA 1.413 55.185 54.000 -0.380 0.000 0.877 274 D CB 1.031 41.635 40.800 -0.327 0.000 1.176 274 D HN 0.920 nan 8.370 nan 0.000 0.461 275 T N -0.618 113.576 114.554 -0.601 0.000 2.865 275 T HA 0.475 4.827 4.350 0.002 0.000 0.294 275 T C -0.568 173.616 174.700 -0.860 0.000 1.119 275 T CA -0.926 60.789 62.100 -0.642 0.000 1.007 275 T CB 1.825 70.388 68.868 -0.509 0.000 1.225 275 T HN 0.261 nan 8.240 nan 0.000 0.515 276 H N -0.194 118.451 119.070 -0.707 0.000 2.573 276 H HA 0.594 5.151 4.556 0.002 0.000 0.351 276 H C -0.987 173.943 175.328 -0.663 0.000 1.163 276 H CA -1.200 54.307 56.048 -0.901 0.000 1.205 276 H CB 0.984 29.846 29.762 -1.500 0.000 1.605 276 H HN 0.485 nan 8.280 nan 0.000 0.525 277 F N 2.252 122.163 119.950 -0.066 0.000 2.411 277 F HA 0.290 4.818 4.527 0.002 0.000 0.350 277 F C -1.816 174.244 175.800 0.434 0.000 1.114 277 F CA -2.909 55.176 58.000 0.141 0.000 1.135 277 F CB 0.498 39.540 39.000 0.070 0.000 1.120 277 F HN 0.231 nan 8.300 nan 0.000 0.495 278 P HA -0.065 nan 4.420 nan 0.000 0.267 278 P C -0.305 177.215 177.300 0.367 0.000 1.200 278 P CA -0.039 63.380 63.100 0.533 0.000 0.772 278 P CB 0.533 32.303 31.700 0.115 0.000 0.855 279 D N 3.566 124.163 120.400 0.328 0.000 2.470 279 D HA 0.031 4.672 4.640 0.002 0.000 0.226 279 D C 0.977 177.364 176.300 0.146 0.000 1.196 279 D CA 0.006 54.209 54.000 0.338 0.000 0.979 279 D CB 0.095 41.083 40.800 0.312 0.000 1.059 279 D HN 0.100 nan 8.370 nan 0.000 0.515 280 M N 2.548 122.116 119.600 -0.054 0.000 2.446 280 M HA -0.116 4.366 4.480 0.002 0.000 0.263 280 M C 1.229 177.369 176.300 -0.266 0.000 1.066 280 M CA 0.581 55.687 55.300 -0.322 0.000 1.087 280 M CB -0.333 31.815 32.600 -0.753 0.000 1.406 280 M HN 0.318 nan 8.290 nan 0.000 0.459 281 L N -0.261 120.838 121.223 -0.207 0.000 2.592 281 L HA 0.161 4.502 4.340 0.002 0.000 0.227 281 L C 0.949 177.801 176.870 -0.030 0.000 1.127 281 L CA 0.286 55.015 54.840 -0.185 0.000 0.884 281 L CB -0.580 41.297 42.059 -0.303 0.000 1.065 281 L HN 0.282 nan 8.230 nan 0.000 0.457 282 N N 0.278 118.988 118.700 0.017 0.000 2.426 282 N HA 0.122 4.863 4.740 0.002 0.000 0.257 282 N C -1.982 173.514 175.510 -0.023 0.000 1.002 282 N CA -1.430 51.641 53.050 0.035 0.000 0.942 282 N CB 2.074 40.617 38.487 0.094 0.000 1.112 282 N HN -0.129 nan 8.380 nan 0.000 0.499 283 P HA -0.133 nan 4.420 nan 0.000 0.216 283 P C 0.841 178.101 177.300 -0.067 0.000 1.153 283 P CA 1.223 64.290 63.100 -0.055 0.000 0.858 283 P CB 0.413 32.091 31.700 -0.037 0.000 0.789 284 E N -0.391 119.776 120.200 -0.056 0.000 2.077 284 E HA -0.129 4.222 4.350 0.002 0.000 0.193 284 E C 2.110 178.505 176.600 -0.342 0.000 0.989 284 E CA 1.458 57.793 56.400 -0.108 0.000 0.800 284 E CB -1.122 28.584 29.700 0.010 0.000 0.746 284 E HN 0.172 nan 8.360 nan 0.000 0.452 285 A N 1.786 124.408 122.820 -0.330 0.000 1.877 285 A HA -0.198 4.123 4.320 0.002 0.000 0.216 285 A C 2.228 179.774 177.584 -0.064 0.000 1.186 285 A CA 1.463 53.278 52.037 -0.370 0.000 0.620 285 A CB -0.479 18.486 19.000 -0.058 0.000 0.822 285 A HN 0.088 nan 8.150 nan 0.000 0.443 286 R N -0.519 119.943 120.500 -0.063 0.000 2.096 286 R HA -0.182 4.159 4.340 0.002 0.000 0.240 286 R C 2.425 178.709 176.300 -0.027 0.000 1.139 286 R CA 1.842 57.916 56.100 -0.042 0.000 0.952 286 R CB -0.325 29.908 30.300 -0.113 0.000 0.854 286 R HN 0.640 nan 8.270 nan 0.000 0.436 287 K N -0.111 120.251 120.400 -0.064 0.000 2.057 287 K HA -0.210 4.111 4.320 0.002 0.000 0.207 287 K C 1.983 178.557 176.600 -0.043 0.000 1.049 287 K CA 1.585 57.835 56.287 -0.063 0.000 0.931 287 K CB -0.288 32.180 32.500 -0.053 0.000 0.714 287 K HN 0.211 nan 8.250 nan 0.000 0.440 288 W N 0.838 121.980 121.300 -0.263 0.000 2.355 288 W HA -0.241 4.420 4.660 0.002 0.000 0.309 288 W C 1.718 178.143 176.519 -0.157 0.000 1.206 288 W CA 1.574 58.764 57.345 -0.258 0.000 1.284 288 W CB -0.622 28.526 29.460 -0.521 0.000 1.145 288 W HN 0.118 nan 8.180 nan 0.000 0.502 289 F N 1.277 120.984 119.950 -0.405 0.000 2.113 289 F HA 0.039 4.567 4.527 0.002 0.000 0.297 289 F C 2.420 177.999 175.800 -0.369 0.000 1.103 289 F CA 2.676 60.323 58.000 -0.589 0.000 1.248 289 F CB -0.999 37.889 39.000 -0.187 0.000 0.999 289 F HN -0.073 nan 8.300 nan 0.000 0.475 290 G N -0.192 108.528 108.800 -0.134 0.000 2.440 290 G HA2 -0.293 3.668 3.960 0.002 0.000 0.218 290 G HA3 -0.293 3.668 3.960 0.002 0.000 0.218 290 G C 1.347 176.102 174.900 -0.241 0.000 1.154 290 G CA 1.112 46.104 45.100 -0.180 0.000 0.767 290 G HN 0.325 nan 8.290 nan 0.000 0.552 291 D N 0.536 120.767 120.400 -0.282 0.000 2.265 291 D HA -0.062 4.579 4.640 0.002 0.000 0.208 291 D C 2.366 178.442 176.300 -0.373 0.000 0.977 291 D CA 0.582 54.434 54.000 -0.248 0.000 0.871 291 D CB 0.002 40.692 40.800 -0.183 0.000 0.925 291 D HN 0.177 nan 8.370 nan 0.000 0.485 292 K N 0.079 120.034 120.400 -0.743 0.000 2.280 292 K HA -0.128 4.193 4.320 0.002 0.000 0.202 292 K C 1.826 177.847 176.600 -0.965 0.000 1.047 292 K CA 0.395 55.967 56.287 -1.192 0.000 0.942 292 K CB -0.492 30.575 32.500 -2.388 0.000 0.739 292 K HN 0.371 nan 8.250 nan 0.000 0.457 293 Y N 1.191 121.087 120.300 -0.673 0.000 2.384 293 Y HA -0.151 4.400 4.550 0.002 0.000 0.289 293 Y C 2.496 178.353 175.900 -0.071 0.000 1.152 293 Y CA 1.078 59.025 58.100 -0.256 0.000 1.258 293 Y CB -0.308 37.974 38.460 -0.297 0.000 0.979 293 Y HN 0.058 nan 8.280 nan 0.000 0.549 294 R N -0.241 120.280 120.500 0.034 0.000 2.127 294 R HA -0.236 4.105 4.340 0.002 0.000 0.238 294 R C 2.119 178.490 176.300 0.119 0.000 1.134 294 R CA 1.590 57.733 56.100 0.072 0.000 0.975 294 R CB -0.647 29.668 30.300 0.026 0.000 0.865 294 R HN 0.420 nan 8.270 nan 0.000 0.447 295 F N 0.526 120.464 119.950 -0.021 0.000 2.161 295 F HA -0.194 4.334 4.527 0.002 0.000 0.300 295 F C 1.388 177.273 175.800 0.141 0.000 1.089 295 F CA 1.509 59.534 58.000 0.043 0.000 1.282 295 F CB -0.012 38.998 39.000 0.017 0.000 1.010 295 F HN -0.001 nan 8.300 nan 0.000 0.485 296 L N -0.547 120.737 121.223 0.102 0.000 2.253 296 L HA -0.007 4.335 4.340 0.002 0.000 0.205 296 L C 2.363 179.335 176.870 0.169 0.000 1.078 296 L CA 0.531 55.438 54.840 0.112 0.000 0.805 296 L CB -0.384 41.971 42.059 0.493 0.000 0.963 296 L HN 0.099 nan 8.230 nan 0.000 0.459 297 I N 0.150 120.872 120.570 0.254 0.000 2.286 297 I HA -0.274 3.897 4.170 0.002 0.000 0.248 297 I C 1.699 177.879 176.117 0.105 0.000 1.115 297 I CA 1.090 62.519 61.300 0.216 0.000 1.392 297 I CB -0.260 37.854 38.000 0.191 0.000 1.065 297 I HN 0.227 nan 8.210 nan 0.000 0.418 298 D N 0.525 120.959 120.400 0.056 0.000 2.351 298 D HA -0.166 4.476 4.640 0.002 0.000 0.216 298 D C 1.694 177.974 176.300 -0.033 0.000 0.968 298 D CA 1.006 55.015 54.000 0.014 0.000 0.899 298 D CB -0.105 40.699 40.800 0.006 0.000 0.907 298 D HN 0.491 nan 8.370 nan 0.000 0.514 299 Q N -1.073 118.690 119.800 -0.062 0.000 2.247 299 Q HA 0.318 4.659 4.340 0.002 0.000 0.204 299 Q C 0.800 176.712 176.000 -0.147 0.000 0.872 299 Q CA 0.200 55.942 55.803 -0.101 0.000 0.951 299 Q CB 1.204 29.891 28.738 -0.085 0.000 1.099 299 Q HN 0.218 nan 8.270 nan 0.000 0.501 300 G N 1.022 109.764 108.800 -0.096 0.000 2.144 300 G HA2 -0.181 3.780 3.960 0.002 0.000 0.218 300 G HA3 -0.181 3.780 3.960 0.002 0.000 0.218 300 G C 0.028 174.833 174.900 -0.158 0.000 0.988 300 G CA -0.541 44.482 45.100 -0.130 0.000 0.659 300 G HN 0.229 nan 8.290 nan 0.000 0.522 301 I N 0.995 121.503 120.570 -0.103 0.000 2.441 301 I HA 0.269 4.440 4.170 0.002 0.000 0.287 301 I C 1.019 177.075 176.117 -0.103 0.000 1.049 301 I CA 0.177 61.376 61.300 -0.169 0.000 1.381 301 I CB 1.041 38.965 38.000 -0.127 0.000 1.409 301 I HN 0.268 nan 8.210 nan 0.000 0.523 302 E N 3.686 123.774 120.200 -0.187 0.000 2.603 302 E HA 0.377 4.728 4.350 0.002 0.000 0.211 302 E C 0.486 177.145 176.600 0.100 0.000 0.995 302 E CA -0.263 56.152 56.400 0.025 0.000 0.990 302 E CB 1.216 30.856 29.700 -0.099 0.000 1.036 302 E HN 0.842 nan 8.360 nan 0.000 0.475 303 G N 0.528 109.126 108.800 -0.336 0.000 2.632 303 G HA2 0.524 4.485 3.960 0.002 0.000 0.292 303 G HA3 0.524 4.485 3.960 0.002 0.000 0.292 303 G C -1.600 172.856 174.900 -0.739 0.000 1.465 303 G CA -0.732 44.202 45.100 -0.276 0.000 0.824 303 G HN 0.002 nan 8.290 nan 0.000 0.509 304 F N -0.146 119.935 119.950 0.218 0.000 2.643 304 F HA 0.837 5.366 4.527 0.002 0.000 0.314 304 F C -0.734 175.184 175.800 0.197 0.000 1.096 304 F CA -0.987 57.179 58.000 0.276 0.000 0.953 304 F CB 2.168 41.426 39.000 0.429 0.000 1.345 304 F HN 0.697 nan 8.300 nan 0.000 0.468 305 W N 0.523 121.841 121.300 0.031 0.000 3.022 305 W HA 0.586 5.248 4.660 0.002 0.000 0.335 305 W C -2.168 174.376 176.519 0.042 0.000 1.133 305 W CA -1.548 55.629 57.345 -0.279 0.000 1.219 305 W CB 0.820 29.767 29.460 -0.856 0.000 1.409 305 W HN 0.527 nan 8.180 nan 0.000 0.507 306 N N 1.279 120.102 118.700 0.205 0.000 2.372 306 N HA 0.661 5.403 4.740 0.002 0.000 0.291 306 N C -0.659 175.014 175.510 0.272 0.000 1.024 306 N CA -0.378 52.779 53.050 0.178 0.000 0.873 306 N CB 2.151 40.792 38.487 0.258 0.000 1.206 306 N HN 0.599 nan 8.380 nan 0.000 0.486 307 A N 1.914 124.810 122.820 0.127 0.000 2.389 307 A HA 0.631 4.953 4.320 0.002 0.000 0.293 307 A C 0.340 178.010 177.584 0.143 0.000 1.186 307 A CA -0.444 51.722 52.037 0.214 0.000 0.828 307 A CB 0.688 19.788 19.000 0.166 0.000 1.369 307 A HN 0.716 nan 8.150 nan 0.000 0.446 308 M N 0.130 119.811 119.600 0.135 0.000 2.762 308 M HA -0.152 4.329 4.480 0.002 0.000 0.190 308 M C 0.321 176.649 176.300 0.046 0.000 0.586 308 M CA 1.180 56.530 55.300 0.083 0.000 0.620 308 M CB -2.832 29.791 32.600 0.040 0.000 2.269 308 M HN 0.946 nan 8.290 nan 0.000 0.563 309 N N 0.016 118.774 118.700 0.097 0.000 2.346 309 N HA 0.158 4.899 4.740 0.002 0.000 0.225 309 N C 0.783 176.351 175.510 0.097 0.000 1.144 309 N CA 0.140 53.283 53.050 0.155 0.000 0.837 309 N CB 0.161 38.791 38.487 0.240 0.000 1.069 309 N HN 0.339 nan 8.380 nan 0.000 0.487 310 E N 0.825 121.007 120.200 -0.030 0.000 2.106 310 E HA 0.057 4.408 4.350 0.002 0.000 0.192 310 E C -1.718 174.693 176.600 -0.316 0.000 0.984 310 E CA 0.666 57.018 56.400 -0.080 0.000 0.806 310 E CB -0.981 28.749 29.700 0.049 0.000 0.750 310 E HN 0.564 nan 8.360 nan 0.000 0.458 311 P HA 0.194 nan 4.420 nan 0.000 0.282 311 P C -1.044 176.156 177.300 -0.167 0.000 1.249 311 P CA -0.200 62.492 63.100 -0.679 0.000 0.806 311 P CB 1.528 32.126 31.700 -1.838 0.000 0.984 312 A N 3.663 126.437 122.820 -0.076 0.000 2.363 312 A HA 0.529 4.851 4.320 0.002 0.000 0.270 312 A C 0.126 177.727 177.584 0.028 0.000 1.121 312 A CA -0.449 51.622 52.037 0.057 0.000 0.800 312 A CB -0.414 18.607 19.000 0.035 0.000 1.052 312 A HN 0.492 nan 8.150 nan 0.000 0.493 313 I N 2.854 123.480 120.570 0.093 0.000 2.439 313 I HA 0.238 4.410 4.170 0.002 0.000 0.285 313 I C -0.166 176.009 176.117 0.097 0.000 1.021 313 I CA -0.435 60.864 61.300 -0.001 0.000 1.091 313 I CB 1.549 39.556 38.000 0.011 0.000 1.242 313 I HN 0.649 nan 8.210 nan 0.000 0.439 314 F N 5.367 125.181 119.950 -0.227 0.000 2.206 314 F HA 0.006 4.534 4.527 0.003 0.000 0.298 314 F C 0.542 176.349 175.800 0.011 0.000 1.090 314 F CA 0.132 58.034 58.000 -0.162 0.000 1.323 314 F CB -0.527 38.311 39.000 -0.269 0.000 1.028 314 F HN 0.500 nan 8.300 nan 0.000 0.492 315 Y N -4.036 116.308 120.300 0.074 0.000 2.786 315 Y HA 0.425 4.976 4.550 0.002 0.000 0.365 315 Y C -0.564 175.294 175.900 -0.069 0.000 1.171 315 Y CA -2.133 55.968 58.100 0.002 0.000 1.214 315 Y CB -0.053 38.409 38.460 0.003 0.000 1.411 315 Y HN -0.150 nan 8.280 nan 0.000 0.485 316 S N -0.001 115.776 115.700 0.128 0.000 2.730 316 S HA 0.478 4.949 4.470 0.002 0.000 0.284 316 S C 0.481 175.144 174.600 0.104 0.000 1.153 316 S CA -0.107 58.085 58.200 -0.013 0.000 0.995 316 S CB 1.490 64.755 63.200 0.110 0.000 1.058 316 S HN 0.757 nan 8.310 nan 0.000 0.552 317 S N 0.759 116.439 115.700 -0.033 0.000 2.382 317 S HA -0.099 4.372 4.470 0.002 0.000 0.228 317 S C 1.659 176.292 174.600 0.054 0.000 1.027 317 S CA 1.589 59.803 58.200 0.024 0.000 0.991 317 S CB -0.569 62.608 63.200 -0.039 0.000 0.823 317 S HN 0.784 nan 8.310 nan 0.000 0.469 318 E N 1.057 121.301 120.200 0.073 0.000 2.072 318 E HA 0.012 4.364 4.350 0.002 0.000 0.191 318 E C 2.319 178.958 176.600 0.065 0.000 0.985 318 E CA 1.009 57.456 56.400 0.077 0.000 0.801 318 E CB -0.733 29.032 29.700 0.108 0.000 0.750 318 E HN 0.490 nan 8.360 nan 0.000 0.452 319 G N 1.009 109.859 108.800 0.083 0.000 2.422 319 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 319 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 319 G C 1.490 176.403 174.900 0.021 0.000 1.146 319 G CA 0.376 45.513 45.100 0.062 0.000 0.769 319 G HN 0.156 nan 8.290 nan 0.000 0.547 320 L N 0.628 121.861 121.223 0.018 0.000 1.989 320 L HA -0.104 4.237 4.340 0.002 0.000 0.211 320 L C 3.269 180.101 176.870 -0.062 0.000 1.071 320 L CA 1.943 56.714 54.840 -0.116 0.000 0.749 320 L CB -0.625 41.350 42.059 -0.139 0.000 0.890 320 L HN 0.339 nan 8.230 nan 0.000 0.431 321 A N -0.355 122.456 122.820 -0.014 0.000 1.908 321 A HA -0.266 4.055 4.320 0.002 0.000 0.218 321 A C 1.979 179.574 177.584 0.018 0.000 1.181 321 A CA 1.873 53.911 52.037 0.002 0.000 0.627 321 A CB -0.558 18.451 19.000 0.016 0.000 0.818 321 A HN 0.586 nan 8.150 nan 0.000 0.445 322 E N -0.351 119.863 120.200 0.024 0.000 2.085 322 E HA -0.144 4.208 4.350 0.002 0.000 0.194 322 E C 2.307 178.940 176.600 0.055 0.000 0.994 322 E CA 1.099 57.522 56.400 0.038 0.000 0.801 322 E CB -0.289 29.424 29.700 0.022 0.000 0.743 322 E HN 0.641 nan 8.360 nan 0.000 0.453 323 A N 1.483 124.314 122.820 0.019 0.000 1.898 323 A HA -0.177 4.144 4.320 0.002 0.000 0.216 323 A C 1.924 179.547 177.584 0.065 0.000 1.181 323 A CA 1.245 53.301 52.037 0.031 0.000 0.620 323 A CB -0.216 18.762 19.000 -0.036 0.000 0.819 323 A HN 0.028 nan 8.150 nan 0.000 0.442 324 K N -0.462 119.948 120.400 0.017 0.000 2.147 324 K HA -0.176 4.146 4.320 0.002 0.000 0.205 324 K C 2.049 178.675 176.600 0.044 0.000 1.049 324 K CA 1.457 57.754 56.287 0.017 0.000 0.936 324 K CB -0.082 32.410 32.500 -0.013 0.000 0.722 324 K HN 0.741 nan 8.250 nan 0.000 0.446 325 E N 0.426 120.664 120.200 0.062 0.000 2.072 325 E HA -0.173 4.179 4.350 0.002 0.000 0.190 325 E C 1.808 178.464 176.600 0.094 0.000 0.982 325 E CA 0.715 57.154 56.400 0.065 0.000 0.803 325 E CB -0.086 29.655 29.700 0.069 0.000 0.755 325 E HN 0.221 nan 8.360 nan 0.000 0.453 326 F N 1.079 121.029 119.950 0.001 0.000 2.186 326 F HA -0.051 4.478 4.527 0.002 0.000 0.299 326 F C 2.056 177.879 175.800 0.038 0.000 1.090 326 F CA 1.391 59.396 58.000 0.008 0.000 1.307 326 F CB -0.323 38.669 39.000 -0.014 0.000 1.019 326 F HN 0.118 nan 8.300 nan 0.000 0.489 327 A N 0.211 123.115 122.820 0.139 0.000 1.902 327 A HA -0.072 4.249 4.320 0.002 0.000 0.217 327 A C 2.507 180.121 177.584 0.049 0.000 1.181 327 A CA 1.685 53.788 52.037 0.110 0.000 0.623 327 A CB -1.785 17.276 19.000 0.102 0.000 0.818 327 A HN 0.479 nan 8.150 nan 0.000 0.443 328 G N -0.568 108.234 108.800 0.004 0.000 2.440 328 G HA2 -0.233 3.728 3.960 0.002 0.000 0.218 328 G HA3 -0.233 3.728 3.960 0.002 0.000 0.218 328 G C 1.448 176.300 174.900 -0.080 0.000 1.154 328 G CA 1.014 46.095 45.100 -0.031 0.000 0.767 328 G HN 0.646 nan 8.290 nan 0.000 0.552 329 E N -0.410 119.715 120.200 -0.124 0.000 2.023 329 E HA -0.158 4.193 4.350 0.002 0.000 0.196 329 E C 2.127 178.609 176.600 -0.196 0.000 1.003 329 E CA 1.065 57.352 56.400 -0.188 0.000 0.809 329 E CB -0.307 29.216 29.700 -0.295 0.000 0.755 329 E HN 0.400 nan 8.360 nan 0.000 0.449 330 F N 1.701 121.405 119.950 -0.411 0.000 2.091 330 F HA -0.283 4.245 4.527 0.002 0.000 0.299 330 F C 2.226 177.902 175.800 -0.207 0.000 1.103 330 F CA 1.614 59.413 58.000 -0.336 0.000 1.228 330 F CB -0.680 38.132 39.000 -0.313 0.000 0.984 330 F HN -0.030 nan 8.300 nan 0.000 0.477 331 A N 0.696 123.368 122.820 -0.247 0.000 1.903 331 A HA -0.277 4.044 4.320 0.002 0.000 0.219 331 A C 1.953 179.351 177.584 -0.311 0.000 1.191 331 A CA 2.424 54.280 52.037 -0.302 0.000 0.638 331 A CB -0.878 18.046 19.000 -0.126 0.000 0.823 331 A HN 0.639 nan 8.150 nan 0.000 0.451 332 K N -0.260 120.000 120.400 -0.233 0.000 2.514 332 K HA 0.205 4.526 4.320 0.002 0.000 0.207 332 K C -0.676 175.809 176.600 -0.193 0.000 1.035 332 K CA 0.116 56.289 56.287 -0.191 0.000 1.113 332 K CB -0.110 32.313 32.500 -0.129 0.000 0.846 332 K HN 0.229 nan 8.250 nan 0.000 0.491 333 D N 2.716 122.967 120.400 -0.250 0.000 2.367 333 D HA -0.038 4.604 4.640 0.002 0.000 0.255 333 D C 1.185 177.361 176.300 -0.207 0.000 1.300 333 D CA 0.166 54.037 54.000 -0.216 0.000 0.959 333 D CB 1.148 41.811 40.800 -0.228 0.000 1.064 333 D HN 0.310 nan 8.370 nan 0.000 0.509 334 T N 0.598 115.061 114.554 -0.152 0.000 2.942 334 T HA -0.116 4.235 4.350 0.002 0.000 0.265 334 T C 1.236 175.870 174.700 -0.109 0.000 1.062 334 T CA 0.380 62.403 62.100 -0.128 0.000 1.139 334 T CB -0.048 68.762 68.868 -0.096 0.000 0.883 334 T HN 0.330 nan 8.240 nan 0.000 0.468 335 E N 1.741 121.880 120.200 -0.101 0.000 2.478 335 E HA 0.143 4.494 4.350 0.002 0.000 0.198 335 E C 1.617 178.158 176.600 -0.098 0.000 1.046 335 E CA 0.543 56.895 56.400 -0.080 0.000 0.870 335 E CB -0.780 28.881 29.700 -0.064 0.000 0.818 335 E HN 0.764 nan 8.360 nan 0.000 0.527 336 G N 2.230 110.941 108.800 -0.149 0.000 2.246 336 G HA2 -0.348 3.613 3.960 0.002 0.000 0.273 336 G HA3 -0.348 3.613 3.960 0.002 0.000 0.273 336 G C 0.749 175.456 174.900 -0.322 0.000 1.055 336 G CA 0.821 45.795 45.100 -0.211 0.000 0.851 336 G HN 0.320 nan 8.290 nan 0.000 0.500 337 K N -0.937 119.309 120.400 -0.255 0.000 2.314 337 K HA 0.259 4.580 4.320 0.002 0.000 0.198 337 K C 1.093 177.516 176.600 -0.294 0.000 1.045 337 K CA 0.520 56.675 56.287 -0.220 0.000 0.988 337 K CB 0.407 32.850 32.500 -0.094 0.000 0.783 337 K HN 0.537 nan 8.250 nan 0.000 0.484 338 I N 2.676 123.070 120.570 -0.294 0.000 2.330 338 I HA 0.112 4.283 4.170 0.002 0.000 0.286 338 I C -0.109 175.860 176.117 -0.247 0.000 1.025 338 I CA -0.611 60.577 61.300 -0.185 0.000 1.197 338 I CB 0.634 38.579 38.000 -0.091 0.000 1.358 338 I HN 0.093 nan 8.210 nan 0.000 0.467 339 H N 6.816 125.706 119.070 -0.300 0.000 2.551 339 H HA 0.171 4.728 4.556 0.002 0.000 0.358 339 H C -1.637 173.219 175.328 -0.787 0.000 1.151 339 H CA -1.784 53.806 56.048 -0.763 0.000 1.374 339 H CB 1.089 29.825 29.762 -1.710 0.000 1.473 339 H HN 0.319 nan 8.280 nan 0.000 0.574 340 P HA -0.149 nan 4.420 nan 0.000 0.219 340 P C 1.131 178.279 177.300 -0.254 0.000 1.146 340 P CA 1.349 64.220 63.100 -0.382 0.000 0.808 340 P CB -0.097 31.575 31.700 -0.046 0.000 0.779 341 W N -0.554 120.763 121.300 0.029 0.000 2.467 341 W HA 0.266 4.927 4.660 0.001 0.000 0.275 341 W C 2.000 178.519 176.519 -0.000 0.000 1.239 341 W CA 0.716 58.066 57.345 0.008 0.000 1.266 341 W CB -1.745 27.726 29.460 0.018 0.000 1.112 341 W HN -0.163 nan 8.180 nan 0.000 0.576 342 A N 1.068 123.851 122.820 -0.062 0.000 1.929 342 A HA -0.090 4.231 4.320 0.002 0.000 0.216 342 A C 2.082 179.665 177.584 -0.000 0.000 1.176 342 A CA 1.912 53.975 52.037 0.044 0.000 0.628 342 A CB -0.711 18.371 19.000 0.136 0.000 0.816 342 A HN 0.323 nan 8.150 nan 0.000 0.444 343 M N -0.309 119.244 119.600 -0.077 0.000 2.117 343 M HA -0.157 4.324 4.480 0.002 0.000 0.262 343 M C 2.143 178.376 176.300 -0.112 0.000 1.065 343 M CA 2.232 57.464 55.300 -0.113 0.000 1.114 343 M CB -0.470 31.687 32.600 -0.738 0.000 1.361 343 M HN 0.553 nan 8.290 nan 0.000 0.408 344 Q N -0.778 118.967 119.800 -0.091 0.000 2.119 344 Q HA -0.084 4.257 4.340 0.002 0.000 0.201 344 Q C 1.895 177.884 176.000 -0.018 0.000 0.972 344 Q CA 1.555 57.341 55.803 -0.029 0.000 0.847 344 Q CB -0.193 28.563 28.738 0.030 0.000 0.903 344 Q HN 0.647 nan 8.270 nan 0.000 0.433 345 A N 0.709 123.521 122.820 -0.014 0.000 1.930 345 A HA -0.184 4.137 4.320 0.002 0.000 0.217 345 A C 1.985 179.512 177.584 -0.094 0.000 1.175 345 A CA 1.695 53.714 52.037 -0.029 0.000 0.627 345 A CB -0.387 18.610 19.000 -0.005 0.000 0.815 345 A HN 0.219 nan 8.150 nan 0.000 0.443 346 K N -0.565 119.726 120.400 -0.182 0.000 2.057 346 K HA -0.051 4.270 4.320 0.002 0.000 0.206 346 K C 1.867 178.394 176.600 -0.122 0.000 1.050 346 K CA 1.608 57.750 56.287 -0.241 0.000 0.935 346 K CB -0.377 31.839 32.500 -0.473 0.000 0.715 346 K HN 0.307 nan 8.250 nan 0.000 0.439 347 M N 0.945 120.497 119.600 -0.080 0.000 2.117 347 M HA -0.120 4.361 4.480 0.002 0.000 0.262 347 M C 2.092 178.377 176.300 -0.025 0.000 1.065 347 M CA 1.682 56.954 55.300 -0.046 0.000 1.114 347 M CB -0.945 31.634 32.600 -0.034 0.000 1.361 347 M HN 0.224 nan 8.290 nan 0.000 0.408 348 K N 0.110 120.497 120.400 -0.021 0.000 2.103 348 K HA -0.194 4.127 4.320 0.002 0.000 0.204 348 K C 1.570 178.171 176.600 0.001 0.000 1.052 348 K CA 1.690 57.977 56.287 -0.001 0.000 0.945 348 K CB -0.108 32.397 32.500 0.007 0.000 0.722 348 K HN 0.129 nan 8.250 nan 0.000 0.443 349 D N 0.969 121.356 120.400 -0.022 0.000 2.218 349 D HA -0.147 4.494 4.640 0.002 0.000 0.204 349 D C 1.711 178.007 176.300 -0.007 0.000 0.976 349 D CA 1.154 55.141 54.000 -0.023 0.000 0.853 349 D CB -0.067 40.699 40.800 -0.057 0.000 0.939 349 D HN 0.521 nan 8.370 nan 0.000 0.481 350 I N -2.051 118.521 120.570 0.004 0.000 3.564 350 I HA 0.119 4.290 4.170 0.002 0.000 0.294 350 I C -0.332 175.833 176.117 0.080 0.000 1.289 350 I CA -0.152 61.171 61.300 0.038 0.000 1.325 350 I CB 0.074 38.102 38.000 0.048 0.000 1.039 350 I HN -0.283 nan 8.210 nan 0.000 0.474 351 V N 3.571 123.526 119.914 0.068 0.000 2.383 351 V HA 0.261 4.382 4.120 0.002 0.000 0.275 351 V C 0.198 176.340 176.094 0.080 0.000 1.036 351 V CA -0.562 61.795 62.300 0.095 0.000 0.889 351 V CB 0.603 32.476 31.823 0.083 0.000 0.985 351 V HN 0.562 nan 8.190 nan 0.000 0.459 352 N N 2.140 120.889 118.700 0.082 0.000 2.725 352 N HA -0.173 4.568 4.740 0.002 0.000 0.251 352 N C 0.304 175.837 175.510 0.039 0.000 1.031 352 N CA 1.147 54.261 53.050 0.106 0.000 0.720 352 N CB -0.587 38.031 38.487 0.219 0.000 0.930 352 N HN 0.798 nan 8.380 nan 0.000 0.543 353 S N 0.299 115.926 115.700 -0.121 0.000 2.481 353 S HA 0.328 4.799 4.470 0.002 0.000 0.276 353 S C -0.998 173.526 174.600 -0.126 0.000 1.247 353 S CA -1.342 56.807 58.200 -0.086 0.000 1.053 353 S CB 1.184 64.345 63.200 -0.065 0.000 0.925 353 S HN 0.002 nan 8.310 nan 0.000 0.491 354 P HA -0.119 nan 4.420 nan 0.000 0.218 354 P C 1.260 178.556 177.300 -0.006 0.000 1.146 354 P CA 0.910 64.055 63.100 0.075 0.000 0.813 354 P CB 0.182 31.899 31.700 0.028 0.000 0.778 355 E N -0.640 119.534 120.200 -0.043 0.000 2.107 355 E HA -0.144 4.208 4.350 0.002 0.000 0.191 355 E C 1.480 178.035 176.600 -0.076 0.000 0.982 355 E CA 0.910 57.281 56.400 -0.047 0.000 0.809 355 E CB -0.450 29.236 29.700 -0.024 0.000 0.756 355 E HN 0.236 nan 8.360 nan 0.000 0.459 356 D N -0.058 120.270 120.400 -0.120 0.000 2.117 356 D HA -0.165 4.476 4.640 0.002 0.000 0.197 356 D C 1.587 177.741 176.300 -0.244 0.000 0.987 356 D CA 0.934 54.861 54.000 -0.122 0.000 0.829 356 D CB -0.328 40.390 40.800 -0.137 0.000 0.961 356 D HN 0.259 nan 8.370 nan 0.000 0.460 357 Y N 0.768 121.007 120.300 -0.103 0.000 2.574 357 Y HA -0.004 4.547 4.550 0.002 0.000 0.294 357 Y C 1.961 177.596 175.900 -0.443 0.000 1.142 357 Y CA 0.593 58.534 58.100 -0.266 0.000 1.314 357 Y CB -0.156 38.203 38.460 -0.168 0.000 0.991 357 Y HN -0.050 nan 8.280 nan 0.000 0.555 358 K N -0.475 119.788 120.400 -0.229 0.000 2.393 358 K HA 0.103 4.424 4.320 0.002 0.000 0.193 358 K C 1.567 177.967 176.600 -0.334 0.000 1.026 358 K CA 0.089 56.210 56.287 -0.275 0.000 1.064 358 K CB 0.220 32.633 32.500 -0.145 0.000 0.833 358 K HN 0.212 nan 8.250 nan 0.000 0.521 359 R N 0.221 120.511 120.500 -0.350 0.000 2.300 359 R HA 0.099 4.440 4.340 0.002 0.000 0.199 359 R C -0.040 176.110 176.300 -0.249 0.000 0.920 359 R CA 0.223 56.193 56.100 -0.216 0.000 1.046 359 R CB 0.280 30.541 30.300 -0.064 0.000 0.984 359 R HN 0.061 nan 8.270 nan 0.000 0.493 360 F N -2.838 116.771 119.950 -0.569 0.000 2.640 360 F HA 0.588 5.116 4.527 0.002 0.000 0.324 360 F C -1.013 174.546 175.800 -0.401 0.000 1.077 360 F CA -1.785 55.978 58.000 -0.395 0.000 0.965 360 F CB 0.882 39.520 39.000 -0.603 0.000 1.351 360 F HN -0.312 nan 8.300 nan 0.000 0.487 361 Y N -0.304 120.028 120.300 0.054 0.000 2.536 361 Y HA 0.490 5.041 4.550 0.002 0.000 0.347 361 Y C -0.412 175.472 175.900 -0.028 0.000 1.000 361 Y CA -1.010 57.086 58.100 -0.007 0.000 1.051 361 Y CB 1.822 40.304 38.460 0.036 0.000 1.259 361 Y HN 0.520 nan 8.280 nan 0.000 0.468 362 H N 1.247 120.502 119.070 0.308 0.000 2.472 362 H HA 0.190 4.748 4.556 0.002 0.000 0.338 362 H C -1.000 174.457 175.328 0.215 0.000 1.133 362 H CA -0.738 55.464 56.048 0.256 0.000 1.216 362 H CB 1.928 31.801 29.762 0.185 0.000 1.497 362 H HN 0.507 nan 8.280 nan 0.000 0.500 363 N N 2.768 121.646 118.700 0.298 0.000 2.558 363 N HA 0.095 4.836 4.740 0.002 0.000 0.233 363 N C -1.248 174.367 175.510 0.175 0.000 1.038 363 N CA -0.302 52.867 53.050 0.198 0.000 0.934 363 N CB 0.313 38.886 38.487 0.143 0.000 1.175 363 N HN 0.219 nan 8.380 nan 0.000 0.512 364 V N 4.490 124.509 119.914 0.176 0.000 2.270 364 V HA 0.264 4.385 4.120 0.002 0.000 0.263 364 V C -0.038 176.108 176.094 0.086 0.000 1.066 364 V CA -0.816 61.569 62.300 0.143 0.000 0.857 364 V CB -0.353 31.597 31.823 0.211 0.000 1.099 364 V HN 0.765 nan 8.190 nan 0.000 0.476 365 N N 4.446 123.183 118.700 0.060 0.000 2.708 365 N HA -0.214 4.527 4.740 0.002 0.000 0.255 365 N C 1.230 176.763 175.510 0.039 0.000 1.046 365 N CA 1.232 54.304 53.050 0.036 0.000 0.715 365 N CB -1.038 37.458 38.487 0.015 0.000 0.895 365 N HN 1.239 nan 8.380 nan 0.000 0.545 366 G N -0.915 107.913 108.800 0.046 0.000 2.320 366 G HA2 -0.361 3.601 3.960 0.002 0.000 0.242 366 G HA3 -0.361 3.601 3.960 0.002 0.000 0.242 366 G C -0.002 174.927 174.900 0.047 0.000 1.033 366 G CA 0.774 45.896 45.100 0.037 0.000 0.620 366 G HN 0.472 nan 8.290 nan 0.000 0.517 367 K N 1.660 122.099 120.400 0.065 0.000 2.248 367 K HA 0.353 4.674 4.320 0.002 0.000 0.281 367 K C 0.066 176.739 176.600 0.122 0.000 1.054 367 K CA -0.459 55.876 56.287 0.081 0.000 0.903 367 K CB 1.155 33.705 32.500 0.082 0.000 1.077 367 K HN 0.176 nan 8.250 nan 0.000 0.474 368 K N 2.857 123.325 120.400 0.112 0.000 2.322 368 K HA 0.224 4.545 4.320 0.002 0.000 0.283 368 K C -0.170 176.580 176.600 0.249 0.000 1.042 368 K CA -0.547 55.842 56.287 0.170 0.000 0.958 368 K CB 0.707 33.238 32.500 0.053 0.000 0.984 368 K HN 0.427 nan 8.250 nan 0.000 0.473 369 I N 2.012 122.767 120.570 0.307 0.000 2.466 369 I HA 0.176 4.347 4.170 0.002 0.000 0.289 369 I C -0.177 176.021 176.117 0.134 0.000 1.026 369 I CA -0.745 60.690 61.300 0.225 0.000 1.078 369 I CB 1.420 39.512 38.000 0.153 0.000 1.249 369 I HN 0.464 nan 8.210 nan 0.000 0.429 370 R N 5.489 125.953 120.500 -0.059 0.000 2.489 370 R HA 0.059 4.400 4.340 0.002 0.000 0.287 370 R C 1.395 177.464 176.300 -0.385 0.000 1.053 370 R CA 0.139 55.902 56.100 -0.562 0.000 1.036 370 R CB 0.328 30.300 30.300 -0.546 0.000 0.966 370 R HN 0.791 nan 8.270 nan 0.000 0.432 371 H N 4.339 123.042 119.070 -0.611 0.000 2.352 371 H HA -0.191 4.366 4.556 0.002 0.000 0.299 371 H C 0.904 176.055 175.328 -0.296 0.000 1.097 371 H CA 2.382 58.173 56.048 -0.429 0.000 1.311 371 H CB 0.298 29.485 29.762 -0.958 0.000 1.377 371 H HN 0.810 nan 8.280 nan 0.000 0.504 372 D N 0.873 121.041 120.400 -0.387 0.000 2.221 372 D HA -0.181 4.460 4.640 0.002 0.000 0.204 372 D C 1.705 177.810 176.300 -0.325 0.000 0.982 372 D CA 0.972 54.778 54.000 -0.324 0.000 0.857 372 D CB -0.429 40.245 40.800 -0.210 0.000 0.934 372 D HN 0.396 nan 8.370 nan 0.000 0.475 373 K N 0.073 120.283 120.400 -0.317 0.000 2.288 373 K HA -0.001 4.321 4.320 0.002 0.000 0.201 373 K C 1.305 177.645 176.600 -0.434 0.000 1.048 373 K CA 0.969 57.076 56.287 -0.300 0.000 0.956 373 K CB 0.443 32.815 32.500 -0.214 0.000 0.746 373 K HN 0.259 nan 8.250 nan 0.000 0.461 374 V N -2.266 117.346 119.914 -0.504 0.000 2.841 374 V HA 0.200 4.321 4.120 0.002 0.000 0.363 374 V C 0.931 176.689 176.094 -0.560 0.000 1.330 374 V CA -0.527 61.407 62.300 -0.609 0.000 1.207 374 V CB -0.023 31.311 31.823 -0.815 0.000 1.318 374 V HN 0.119 nan 8.190 nan 0.000 0.603 375 H N 2.398 121.078 119.070 -0.649 0.000 2.352 375 H HA -0.064 4.493 4.556 0.002 0.000 0.299 375 H C 1.812 176.942 175.328 -0.330 0.000 1.097 375 H CA 2.597 58.224 56.048 -0.701 0.000 1.311 375 H CB 0.153 29.570 29.762 -0.575 0.000 1.377 375 H HN 0.469 nan 8.280 nan 0.000 0.504 376 N N 0.237 118.722 118.700 -0.358 0.000 2.571 376 N HA -0.046 4.696 4.740 0.002 0.000 0.189 376 N C 1.095 176.493 175.510 -0.186 0.000 1.154 376 N CA 0.529 53.438 53.050 -0.235 0.000 0.907 376 N CB 0.105 38.591 38.487 -0.002 0.000 0.977 376 N HN 0.478 nan 8.380 nan 0.000 0.449 377 L N -1.368 119.692 121.223 -0.272 0.000 2.585 377 L HA 0.156 4.497 4.340 0.002 0.000 0.226 377 L C 1.686 178.501 176.870 -0.090 0.000 1.113 377 L CA -0.094 54.638 54.840 -0.180 0.000 0.876 377 L CB -0.156 41.700 42.059 -0.339 0.000 1.072 377 L HN -0.011 nan 8.230 nan 0.000 0.468 378 F N 1.372 121.206 119.950 -0.194 0.000 2.084 378 F HA -0.095 4.433 4.527 0.002 0.000 0.296 378 F C 2.257 178.020 175.800 -0.061 0.000 1.111 378 F CA 1.786 59.721 58.000 -0.108 0.000 1.224 378 F CB -0.166 38.837 39.000 0.005 0.000 0.991 378 F HN 0.007 nan 8.300 nan 0.000 0.471 379 G N -0.762 108.209 108.800 0.285 0.000 2.402 379 G HA2 -0.348 3.613 3.960 0.002 0.000 0.216 379 G HA3 -0.348 3.613 3.960 0.002 0.000 0.216 379 G C 1.547 176.572 174.900 0.207 0.000 1.162 379 G CA 0.893 46.138 45.100 0.241 0.000 0.777 379 G HN 0.506 nan 8.290 nan 0.000 0.539 380 Y N 2.354 122.716 120.300 0.103 0.000 2.114 380 Y HA -0.151 4.400 4.550 0.002 0.000 0.282 380 Y C 2.356 178.249 175.900 -0.011 0.000 1.165 380 Y CA 1.840 60.022 58.100 0.137 0.000 1.148 380 Y CB -0.727 37.867 38.460 0.223 0.000 0.972 380 Y HN 0.188 nan 8.280 nan 0.000 0.504 381 N N 0.075 118.608 118.700 -0.278 0.000 2.354 381 N HA -0.138 4.604 4.740 0.002 0.000 0.179 381 N C 2.084 177.392 175.510 -0.338 0.000 1.021 381 N CA 1.101 53.871 53.050 -0.467 0.000 0.887 381 N CB -0.276 37.884 38.487 -0.545 0.000 0.974 381 N HN 0.505 nan 8.380 nan 0.000 0.437 382 M N 0.825 120.248 119.600 -0.295 0.000 2.117 382 M HA -0.125 4.356 4.480 0.002 0.000 0.262 382 M C 1.631 177.909 176.300 -0.036 0.000 1.065 382 M CA 1.336 56.521 55.300 -0.192 0.000 1.114 382 M CB -0.085 32.423 32.600 -0.153 0.000 1.361 382 M HN -0.058 nan 8.290 nan 0.000 0.408 383 T N 0.110 114.671 114.554 0.012 0.000 2.812 383 T HA -0.136 4.215 4.350 0.002 0.000 0.264 383 T C 1.762 176.388 174.700 -0.124 0.000 1.042 383 T CA 1.513 63.638 62.100 0.040 0.000 1.140 383 T CB -0.376 68.603 68.868 0.185 0.000 0.870 383 T HN 0.466 nan 8.240 nan 0.000 0.445 384 R N 1.159 121.502 120.500 -0.261 0.000 2.103 384 R HA -0.119 4.222 4.340 0.002 0.000 0.242 384 R C 2.556 178.573 176.300 -0.472 0.000 1.142 384 R CA 1.555 57.243 56.100 -0.688 0.000 0.960 384 R CB -0.514 29.282 30.300 -0.840 0.000 0.858 384 R HN 0.369 nan 8.270 nan 0.000 0.439 385 A N 0.735 123.368 122.820 -0.312 0.000 1.892 385 A HA -0.191 4.131 4.320 0.002 0.000 0.218 385 A C 2.380 179.753 177.584 -0.352 0.000 1.188 385 A CA 2.025 53.930 52.037 -0.220 0.000 0.631 385 A CB -0.877 18.112 19.000 -0.018 0.000 0.822 385 A HN 0.587 nan 8.150 nan 0.000 0.447 386 A N -0.728 121.803 122.820 -0.482 0.000 1.873 386 A HA 0.197 4.519 4.320 0.002 0.000 0.215 386 A C 2.480 179.257 177.584 -1.344 0.000 1.186 386 A CA 1.866 53.239 52.037 -1.108 0.000 0.616 386 A CB -1.500 16.822 19.000 -1.129 0.000 0.823 386 A HN 0.778 nan 8.150 nan 0.000 0.442 387 G N -0.339 108.048 108.800 -0.689 0.000 2.491 387 G HA2 -0.278 3.683 3.960 0.002 0.000 0.218 387 G HA3 -0.278 3.683 3.960 0.002 0.000 0.218 387 G C 1.428 176.221 174.900 -0.178 0.000 1.180 387 G CA 1.142 46.079 45.100 -0.271 0.000 0.774 387 G HN 0.642 nan 8.290 nan 0.000 0.562 388 E N 0.398 120.499 120.200 -0.165 0.000 2.153 388 E HA -0.015 4.336 4.350 0.002 0.000 0.194 388 E C 2.884 179.411 176.600 -0.122 0.000 0.988 388 E CA 0.657 57.013 56.400 -0.074 0.000 0.811 388 E CB -0.152 29.491 29.700 -0.095 0.000 0.746 388 E HN 0.434 nan 8.360 nan 0.000 0.466 389 A N 0.791 123.439 122.820 -0.286 0.000 1.898 389 A HA -0.155 4.166 4.320 0.002 0.000 0.216 389 A C 1.760 179.296 177.584 -0.081 0.000 1.181 389 A CA 0.984 52.883 52.037 -0.230 0.000 0.620 389 A CB -0.599 18.200 19.000 -0.335 0.000 0.819 389 A HN 0.158 nan 8.150 nan 0.000 0.442 390 F N 0.688 120.562 119.950 -0.125 0.000 2.161 390 F HA -0.140 4.388 4.527 0.002 0.000 0.300 390 F C 2.335 178.197 175.800 0.104 0.000 1.089 390 F CA 1.175 59.130 58.000 -0.075 0.000 1.282 390 F CB -1.094 37.906 39.000 0.001 0.000 1.010 390 F HN 0.374 nan 8.300 nan 0.000 0.485 391 E N -0.270 120.087 120.200 0.262 0.000 2.150 391 E HA -0.146 4.205 4.350 0.002 0.000 0.193 391 E C 2.306 178.992 176.600 0.143 0.000 0.985 391 E CA 0.671 57.194 56.400 0.205 0.000 0.814 391 E CB -0.146 29.651 29.700 0.162 0.000 0.752 391 E HN 0.417 nan 8.360 nan 0.000 0.466 392 R N 0.252 120.811 120.500 0.099 0.000 2.093 392 R HA 0.017 4.359 4.340 0.002 0.000 0.224 392 R C 2.333 178.686 176.300 0.089 0.000 1.101 392 R CA 0.735 56.877 56.100 0.070 0.000 0.979 392 R CB -0.068 30.250 30.300 0.029 0.000 0.877 392 R HN 0.162 nan 8.270 nan 0.000 0.441 393 I N 0.023 120.661 120.570 0.114 0.000 2.193 393 I HA -0.145 4.027 4.170 0.002 0.000 0.240 393 I C 0.492 176.712 176.117 0.172 0.000 1.084 393 I CA 1.053 62.430 61.300 0.127 0.000 1.365 393 I CB 0.172 38.248 38.000 0.126 0.000 1.064 393 I HN 0.022 nan 8.210 nan 0.000 0.410 394 D N -0.556 119.994 120.400 0.250 0.000 2.328 394 D HA 0.182 4.823 4.640 0.002 0.000 0.243 394 D C -2.071 174.373 176.300 0.241 0.000 1.324 394 D CA -1.699 52.450 54.000 0.250 0.000 0.966 394 D CB 1.281 42.273 40.800 0.319 0.000 1.324 394 D HN -0.138 nan 8.370 nan 0.000 0.549 395 P HA -0.031 nan 4.420 nan 0.000 0.222 395 P C 0.782 178.155 177.300 0.121 0.000 1.147 395 P CA 0.856 64.041 63.100 0.142 0.000 0.790 395 P CB 0.511 32.267 31.700 0.094 0.000 0.780 396 E N -0.854 119.413 120.200 0.113 0.000 2.385 396 E HA -0.000 4.351 4.350 0.002 0.000 0.194 396 E C 0.853 177.540 176.600 0.145 0.000 1.013 396 E CA 0.240 56.705 56.400 0.108 0.000 0.866 396 E CB 0.107 29.863 29.700 0.092 0.000 0.832 396 E HN 0.217 nan 8.360 nan 0.000 0.500 397 K N 1.258 121.709 120.400 0.085 0.000 2.159 397 K HA 0.277 4.599 4.320 0.002 0.000 0.266 397 K C -0.597 175.911 176.600 -0.153 0.000 0.975 397 K CA -0.527 55.694 56.287 -0.110 0.000 0.865 397 K CB 1.074 33.413 32.500 -0.269 0.000 1.087 397 K HN -0.174 nan 8.250 nan 0.000 0.446 398 R N 2.953 123.312 120.500 -0.236 0.000 2.308 398 R HA 0.242 4.584 4.340 0.002 0.000 0.305 398 R C -0.850 175.235 176.300 -0.358 0.000 1.053 398 R CA -0.259 55.750 56.100 -0.152 0.000 0.957 398 R CB 0.524 30.751 30.300 -0.122 0.000 1.022 398 R HN 0.380 nan 8.270 nan 0.000 0.461 399 F N 2.287 122.232 119.950 -0.007 0.000 2.450 399 F HA 0.262 4.790 4.527 0.002 0.000 0.332 399 F C 0.155 175.981 175.800 0.044 0.000 1.093 399 F CA -1.118 56.821 58.000 -0.102 0.000 1.003 399 F CB 1.126 39.807 39.000 -0.532 0.000 1.151 399 F HN 0.237 nan 8.300 nan 0.000 0.474 400 L N 4.383 125.704 121.223 0.164 0.000 2.410 400 L HA 0.458 4.800 4.340 0.002 0.000 0.273 400 L C -0.624 176.436 176.870 0.316 0.000 1.144 400 L CA 0.091 55.034 54.840 0.172 0.000 0.863 400 L CB 0.325 42.429 42.059 0.075 0.000 1.140 400 L HN 0.694 nan 8.230 nan 0.000 0.463 401 M N 7.209 127.012 119.600 0.340 0.000 2.284 401 M HA 0.619 5.101 4.480 0.002 0.000 0.281 401 M C -1.852 174.592 176.300 0.239 0.000 1.083 401 M CA -0.462 55.012 55.300 0.290 0.000 0.965 401 M CB 1.533 34.361 32.600 0.380 0.000 1.717 401 M HN 0.473 nan 8.290 nan 0.000 0.479 402 F N 1.048 121.179 119.950 0.302 0.000 2.686 402 F HA 0.930 5.458 4.527 0.002 0.000 0.311 402 F C -1.084 175.008 175.800 0.488 0.000 1.128 402 F CA -0.767 57.440 58.000 0.345 0.000 0.946 402 F CB 1.172 40.425 39.000 0.423 0.000 1.336 402 F HN 0.626 nan 8.300 nan 0.000 0.457 403 S N 0.208 116.327 115.700 0.697 0.000 2.661 403 S HA 0.536 5.008 4.470 0.002 0.000 0.285 403 S C 0.102 174.909 174.600 0.346 0.000 1.138 403 S CA -0.687 57.839 58.200 0.542 0.000 0.855 403 S CB 2.230 65.636 63.200 0.343 0.000 1.136 403 S HN 0.979 nan 8.310 nan 0.000 0.484 404 R N 0.723 121.235 120.500 0.020 0.000 2.048 404 R HA 0.261 4.603 4.340 0.002 0.000 0.221 404 R C 0.744 176.879 176.300 -0.276 0.000 1.174 404 R CA 0.814 56.548 56.100 -0.609 0.000 0.971 404 R CB -0.598 29.264 30.300 -0.730 0.000 0.863 404 R HN 0.562 nan 8.270 nan 0.000 0.439 405 S N -0.132 115.542 115.700 -0.044 0.000 2.610 405 S HA 0.386 4.857 4.470 0.002 0.000 0.273 405 S C -0.737 173.938 174.600 0.125 0.000 1.274 405 S CA -0.172 58.067 58.200 0.064 0.000 1.023 405 S CB 1.147 64.409 63.200 0.103 0.000 0.962 405 S HN 0.471 nan 8.310 nan 0.000 0.523 406 S N 2.867 118.651 115.700 0.140 0.000 2.611 406 S HA 0.639 5.111 4.470 0.002 0.000 0.268 406 S C -1.667 173.156 174.600 0.371 0.000 1.156 406 S CA -0.799 57.562 58.200 0.268 0.000 0.817 406 S CB 1.065 64.367 63.200 0.170 0.000 1.122 406 S HN 0.884 nan 8.310 nan 0.000 0.466 407 Y N 0.360 120.860 120.300 0.334 0.000 2.588 407 Y HA 0.634 5.185 4.550 0.002 0.000 0.343 407 Y C -0.856 175.238 175.900 0.323 0.000 1.065 407 Y CA -1.234 57.068 58.100 0.338 0.000 1.038 407 Y CB 1.295 39.923 38.460 0.280 0.000 1.297 407 Y HN 0.908 nan 8.280 nan 0.000 0.467 408 I N 4.636 125.122 120.570 -0.139 0.000 2.662 408 I HA 0.181 4.352 4.170 0.002 0.000 0.285 408 I C 0.966 177.020 176.117 -0.104 0.000 1.161 408 I CA 2.122 63.376 61.300 -0.078 0.000 1.415 408 I CB 0.077 37.948 38.000 -0.214 0.000 1.385 408 I HN 0.967 nan 8.210 nan 0.000 0.552 409 G N 4.951 113.773 108.800 0.036 0.000 2.699 409 G HA2 -0.253 3.708 3.960 0.002 0.000 0.198 409 G HA3 -0.253 3.708 3.960 0.002 0.000 0.198 409 G C 0.825 175.560 174.900 -0.275 0.000 1.033 409 G CA 0.202 45.211 45.100 -0.152 0.000 0.728 409 G HN 0.523 nan 8.290 nan 0.000 0.484 410 M N 2.010 121.437 119.600 -0.288 0.000 2.476 410 M HA 0.043 4.524 4.480 0.002 0.000 0.262 410 M C 2.338 178.719 176.300 0.134 0.000 1.079 410 M CA 1.831 57.263 55.300 0.220 0.000 1.104 410 M CB -0.434 32.434 32.600 0.447 0.000 1.409 410 M HN 0.596 nan 8.290 nan 0.000 0.467 411 H N -0.703 118.141 119.070 -0.377 0.000 2.518 411 H HA -0.089 4.468 4.556 0.002 0.000 0.289 411 H C 1.385 176.549 175.328 -0.274 0.000 1.051 411 H CA 0.938 56.535 56.048 -0.751 0.000 1.280 411 H CB -0.686 28.233 29.762 -1.406 0.000 1.380 411 H HN 0.470 nan 8.280 nan 0.000 0.566 412 R N -0.147 119.791 120.500 -0.936 0.000 2.148 412 R HA -0.039 4.302 4.340 0.002 0.000 0.223 412 R C 0.937 176.930 176.300 -0.511 0.000 1.088 412 R CA 1.240 56.851 56.100 -0.815 0.000 0.985 412 R CB 0.037 29.659 30.300 -1.131 0.000 0.880 412 R HN 0.422 nan 8.270 nan 0.000 0.451 413 Y N -1.159 119.147 120.300 0.009 0.000 2.430 413 Y HA 0.382 4.934 4.550 0.002 0.000 0.248 413 Y C 1.047 176.926 175.900 -0.035 0.000 1.108 413 Y CA -0.077 58.072 58.100 0.082 0.000 1.264 413 Y CB 1.366 39.858 38.460 0.053 0.000 1.172 413 Y HN 0.019 nan 8.280 nan 0.000 0.520 414 G N -0.883 107.886 108.800 -0.053 0.000 2.506 414 G HA2 0.452 4.413 3.960 0.002 0.000 0.292 414 G HA3 0.452 4.413 3.960 0.002 0.000 0.292 414 G C -0.598 174.257 174.900 -0.074 0.000 1.425 414 G CA -0.276 44.524 45.100 -0.501 0.000 0.788 414 G HN 0.204 nan 8.290 nan 0.000 0.490 415 G N -1.361 107.484 108.800 0.075 0.000 2.510 415 G HA2 0.608 4.569 3.960 0.002 0.000 0.280 415 G HA3 0.608 4.569 3.960 0.002 0.000 0.280 415 G C -0.750 174.473 174.900 0.538 0.000 1.386 415 G CA -0.519 44.891 45.100 0.515 0.000 1.047 415 G HN 0.576 nan 8.290 nan 0.000 0.527 416 I N -0.643 120.185 120.570 0.430 0.000 2.769 416 I HA 0.421 4.593 4.170 0.002 0.000 0.298 416 I C -1.034 175.223 176.117 0.235 0.000 1.128 416 I CA -0.937 60.545 61.300 0.303 0.000 1.031 416 I CB 1.796 39.819 38.000 0.039 0.000 1.235 416 I HN 0.875 nan 8.210 nan 0.000 0.423 417 W N 5.770 127.097 121.300 0.045 0.000 2.647 417 W HA 0.641 5.302 4.660 0.002 0.000 0.353 417 W C -0.252 176.225 176.519 -0.072 0.000 1.080 417 W CA -0.997 56.280 57.345 -0.113 0.000 1.208 417 W CB 1.037 30.392 29.460 -0.176 0.000 1.396 417 W HN 0.383 nan 8.180 nan 0.000 0.573 418 M N 4.144 123.661 119.600 -0.137 0.000 2.639 418 M HA 0.242 4.723 4.480 0.002 0.000 0.220 418 M C 1.054 177.176 176.300 -0.297 0.000 1.155 418 M CA 1.127 56.312 55.300 -0.192 0.000 1.003 418 M CB -0.964 31.630 32.600 -0.011 0.000 1.725 418 M HN 0.946 nan 8.290 nan 0.000 0.489 419 G N 0.866 109.105 108.800 -0.935 0.000 2.553 419 G HA2 -0.212 3.749 3.960 0.002 0.000 0.242 419 G HA3 -0.212 3.749 3.960 0.002 0.000 0.242 419 G C -0.905 173.942 174.900 -0.088 0.000 1.277 419 G CA -0.602 43.959 45.100 -0.898 0.000 0.910 419 G HN 0.444 nan 8.290 nan 0.000 0.576 420 D N 2.500 122.911 120.400 0.018 0.000 2.517 420 D HA 0.334 4.975 4.640 0.002 0.000 0.220 420 D C 1.205 177.481 176.300 -0.040 0.000 1.158 420 D CA 0.010 54.004 54.000 -0.010 0.000 0.992 420 D CB -0.270 40.579 40.800 0.081 0.000 1.058 420 D HN 0.636 nan 8.370 nan 0.000 0.516 421 N N 0.639 119.371 118.700 0.053 0.000 2.332 421 N HA 0.161 4.902 4.740 0.002 0.000 0.282 421 N C 0.134 175.670 175.510 0.043 0.000 1.288 421 N CA -0.144 52.900 53.050 -0.010 0.000 0.949 421 N CB 0.933 39.485 38.487 0.108 0.000 1.108 421 N HN -0.117 nan 8.380 nan 0.000 0.542 422 K N -1.309 119.125 120.400 0.056 0.000 2.443 422 K HA 0.319 4.641 4.320 0.002 0.000 0.251 422 K C -0.861 175.589 176.600 -0.249 0.000 0.972 422 K CA -0.743 55.263 56.287 -0.469 0.000 0.833 422 K CB 1.773 33.236 32.500 -1.729 0.000 1.317 422 K HN 0.569 nan 8.250 nan 0.000 0.441 423 S N 1.731 117.335 115.700 -0.160 0.000 4.175 423 S HA 0.129 4.601 4.470 0.002 0.000 0.193 423 S C -0.804 173.972 174.600 0.293 0.000 1.373 423 S CA -0.376 57.875 58.200 0.086 0.000 0.908 423 S CB -0.438 62.810 63.200 0.081 0.000 1.547 423 S HN 0.219 nan 8.310 nan 0.000 0.440 424 W N -0.298 121.052 121.300 0.083 0.000 2.761 424 W HA 0.398 5.060 4.660 0.002 0.000 0.340 424 W C 0.227 176.778 176.519 0.053 0.000 1.072 424 W CA -2.423 54.944 57.345 0.036 0.000 1.215 424 W CB 0.193 29.557 29.460 -0.160 0.000 1.420 424 W HN 0.480 nan 8.180 nan 0.000 0.519 425 W N 0.864 122.331 121.300 0.279 0.000 2.388 425 W HA -0.205 4.456 4.660 0.002 0.000 0.294 425 W C 2.530 179.158 176.519 0.182 0.000 1.212 425 W CA 2.476 59.918 57.345 0.162 0.000 1.271 425 W CB -0.864 28.667 29.460 0.119 0.000 1.126 425 W HN 0.352 nan 8.180 nan 0.000 0.535 426 S N -1.437 114.518 115.700 0.425 0.000 2.442 426 S HA -0.235 4.236 4.470 0.002 0.000 0.236 426 S C 1.344 176.199 174.600 0.426 0.000 1.007 426 S CA 1.526 59.943 58.200 0.361 0.000 0.965 426 S CB -1.029 62.361 63.200 0.317 0.000 0.773 426 S HN 0.497 nan 8.310 nan 0.000 0.504 427 H N 0.169 119.430 119.070 0.318 0.000 2.548 427 H HA 0.270 4.828 4.556 0.002 0.000 0.268 427 H C 1.706 177.115 175.328 0.134 0.000 0.975 427 H CA 0.688 56.908 56.048 0.287 0.000 1.195 427 H CB -0.011 29.981 29.762 0.385 0.000 1.397 427 H HN 0.409 nan 8.280 nan 0.000 0.572 428 I N 0.316 120.846 120.570 -0.067 0.000 2.252 428 I HA -0.251 3.920 4.170 0.002 0.000 0.245 428 I C 2.241 178.309 176.117 -0.081 0.000 1.102 428 I CA 0.787 61.894 61.300 -0.322 0.000 1.385 428 I CB 0.032 37.765 38.000 -0.445 0.000 1.064 428 I HN 0.209 nan 8.210 nan 0.000 0.414 429 L N 0.207 121.388 121.223 -0.071 0.000 2.156 429 L HA -0.115 4.226 4.340 0.002 0.000 0.208 429 L C 2.125 178.949 176.870 -0.076 0.000 1.095 429 L CA 1.473 56.187 54.840 -0.210 0.000 0.770 429 L CB -0.356 41.473 42.059 -0.383 0.000 0.914 429 L HN 0.171 nan 8.230 nan 0.000 0.439 430 L N -0.423 120.826 121.223 0.044 0.000 2.005 430 L HA -0.240 4.101 4.340 0.002 0.000 0.207 430 L C 2.366 179.248 176.870 0.020 0.000 1.072 430 L CA 1.857 56.728 54.840 0.053 0.000 0.744 430 L CB -0.569 41.546 42.059 0.093 0.000 0.895 430 L HN 0.460 nan 8.230 nan 0.000 0.433 431 N N 0.648 119.387 118.700 0.064 0.000 2.060 431 N HA -0.279 4.462 4.740 0.002 0.000 0.195 431 N C 1.846 177.348 175.510 -0.014 0.000 1.028 431 N CA 2.040 55.131 53.050 0.068 0.000 0.861 431 N CB -0.493 38.108 38.487 0.190 0.000 1.029 431 N HN 0.285 nan 8.380 nan 0.000 0.428 432 L N 1.111 122.305 121.223 -0.048 0.000 1.989 432 L HA -0.092 4.249 4.340 0.002 0.000 0.211 432 L C 2.074 178.853 176.870 -0.151 0.000 1.071 432 L CA 1.858 56.623 54.840 -0.125 0.000 0.749 432 L CB -0.566 41.416 42.059 -0.128 0.000 0.890 432 L HN 0.133 nan 8.230 nan 0.000 0.431 433 K N -1.200 119.135 120.400 -0.108 0.000 2.211 433 K HA -0.098 4.223 4.320 0.002 0.000 0.203 433 K C 2.015 178.569 176.600 -0.076 0.000 1.050 433 K CA 1.473 57.704 56.287 -0.092 0.000 0.945 433 K CB -0.193 32.268 32.500 -0.066 0.000 0.732 433 K HN 0.390 nan 8.250 nan 0.000 0.451 434 M N 0.716 120.280 119.600 -0.060 0.000 2.374 434 M HA -0.110 4.371 4.480 0.002 0.000 0.264 434 M C 1.821 178.098 176.300 -0.037 0.000 1.067 434 M CA 1.144 56.421 55.300 -0.038 0.000 1.103 434 M CB -0.229 32.359 32.600 -0.021 0.000 1.402 434 M HN 0.117 nan 8.290 nan 0.000 0.444 435 L N 0.438 121.607 121.223 -0.091 0.000 1.955 435 L HA -0.184 4.157 4.340 0.002 0.000 0.213 435 L C -0.337 176.545 176.870 0.020 0.000 1.072 435 L CA 1.635 56.427 54.840 -0.080 0.000 0.755 435 L CB -2.441 39.368 42.059 -0.418 0.000 0.888 435 L HN 0.179 nan 8.230 nan 0.000 0.432 436 P HA -0.092 nan 4.420 nan 0.000 0.217 436 P C 1.592 178.883 177.300 -0.014 0.000 1.150 436 P CA 1.435 64.522 63.100 -0.022 0.000 0.832 436 P CB 0.055 31.659 31.700 -0.160 0.000 0.787 437 S N 0.366 116.055 115.700 -0.019 0.000 2.368 437 S HA -0.083 4.389 4.470 0.002 0.000 0.225 437 S C 2.076 176.719 174.600 0.071 0.000 1.030 437 S CA 1.017 59.223 58.200 0.010 0.000 0.999 437 S CB -1.189 62.002 63.200 -0.015 0.000 0.844 437 S HN 0.120 nan 8.310 nan 0.000 0.459 438 L N 1.872 123.145 121.223 0.083 0.000 2.131 438 L HA -0.122 4.219 4.340 0.002 0.000 0.210 438 L C 2.344 179.324 176.870 0.184 0.000 1.092 438 L CA 0.942 55.860 54.840 0.130 0.000 0.759 438 L CB -0.537 41.597 42.059 0.125 0.000 0.903 438 L HN 0.375 nan 8.230 nan 0.000 0.435 439 N N -0.166 118.635 118.700 0.168 0.000 2.188 439 N HA -0.159 4.583 4.740 0.002 0.000 0.184 439 N C 1.872 177.468 175.510 0.143 0.000 1.018 439 N CA 1.372 54.520 53.050 0.164 0.000 0.858 439 N CB -0.080 38.525 38.487 0.196 0.000 0.989 439 N HN 0.395 nan 8.380 nan 0.000 0.426 440 M N -0.071 119.633 119.600 0.173 0.000 2.279 440 M HA -0.091 4.390 4.480 0.002 0.000 0.264 440 M C 1.543 178.019 176.300 0.293 0.000 1.062 440 M CA 0.959 56.422 55.300 0.271 0.000 1.099 440 M CB -0.086 32.680 32.600 0.276 0.000 1.394 440 M HN 0.143 nan 8.290 nan 0.000 0.426 441 C N 0.515 119.928 119.300 0.188 0.000 2.688 441 C HA 0.461 4.922 4.460 0.002 0.000 0.297 441 C C 1.706 176.548 174.990 -0.247 0.000 1.308 441 C CA 0.011 59.086 59.018 0.095 0.000 1.726 441 C CB -1.195 26.611 27.740 0.110 0.000 1.982 441 C HN 0.867 nan 8.230 nan 0.000 0.604 442 G N 0.674 109.324 108.800 -0.251 0.000 2.176 442 G HA2 -0.266 3.696 3.960 0.002 0.000 0.253 442 G HA3 -0.266 3.696 3.960 0.002 0.000 0.253 442 G C -0.121 174.568 174.900 -0.352 0.000 0.979 442 G CA -0.294 44.516 45.100 -0.483 0.000 0.641 442 G HN 0.489 nan 8.290 nan 0.000 0.530 443 F N 0.942 120.871 119.950 -0.035 0.000 2.377 443 F HA 0.665 5.193 4.527 0.002 0.000 0.360 443 F C 1.591 177.459 175.800 0.114 0.000 1.147 443 F CA -0.342 57.704 58.000 0.076 0.000 1.170 443 F CB 1.038 40.051 39.000 0.022 0.000 1.339 443 F HN -0.003 nan 8.300 nan 0.000 0.552 444 M N 1.346 121.111 119.600 0.275 0.000 2.615 444 M HA 0.038 4.520 4.480 0.002 0.000 0.262 444 M C -0.017 176.506 176.300 0.370 0.000 1.198 444 M CA 0.288 55.727 55.300 0.232 0.000 1.165 444 M CB 0.398 32.978 32.600 -0.034 0.000 1.310 444 M HN 0.350 nan 8.290 nan 0.000 0.494 445 Y N 1.863 122.395 120.300 0.387 0.000 2.613 445 Y HA 0.274 4.825 4.550 0.002 0.000 0.354 445 Y C -0.247 175.728 175.900 0.125 0.000 1.063 445 Y CA 0.514 58.743 58.100 0.214 0.000 1.384 445 Y CB 0.248 38.863 38.460 0.258 0.000 1.199 445 Y HN -0.134 nan 8.280 nan 0.000 0.517 446 T N 2.939 117.288 114.554 -0.341 0.000 2.840 446 T HA 0.763 5.114 4.350 0.002 0.000 0.317 446 T C -0.803 173.746 174.700 -0.252 0.000 1.401 446 T CA -0.050 61.928 62.100 -0.203 0.000 1.028 446 T CB 1.210 70.102 68.868 0.040 0.000 1.317 446 T HN 0.893 nan 8.240 nan 0.000 0.495 447 G N 0.482 109.181 108.800 -0.169 0.000 2.441 447 G HA2 0.728 4.689 3.960 0.002 0.000 0.294 447 G HA3 0.728 4.689 3.960 0.002 0.000 0.294 447 G C -1.445 173.452 174.900 -0.005 0.000 1.393 447 G CA 0.045 45.089 45.100 -0.093 0.000 0.796 447 G HN 1.018 nan 8.290 nan 0.000 0.494 448 A N -0.583 122.266 122.820 0.048 0.000 2.313 448 A HA 0.751 5.072 4.320 0.002 0.000 0.323 448 A C -0.896 176.713 177.584 0.042 0.000 1.133 448 A CA -0.564 51.536 52.037 0.104 0.000 0.847 448 A CB 1.101 20.200 19.000 0.165 0.000 1.308 448 A HN 0.455 nan 8.150 nan 0.000 0.475 449 D N 1.591 122.026 120.400 0.059 0.000 2.342 449 D HA 0.326 4.968 4.640 0.002 0.000 0.260 449 D C -0.170 175.954 176.300 -0.294 0.000 1.278 449 D CA 0.653 54.633 54.000 -0.032 0.000 0.910 449 D CB 0.142 41.021 40.800 0.132 0.000 1.079 449 D HN 0.359 nan 8.370 nan 0.000 0.496 450 L N 1.794 122.871 121.223 -0.244 0.000 2.410 450 L HA 0.303 4.644 4.340 0.002 0.000 0.273 450 L C 1.752 178.371 176.870 -0.419 0.000 1.144 450 L CA -0.003 54.614 54.840 -0.371 0.000 0.863 450 L CB 0.618 42.708 42.059 0.052 0.000 1.140 450 L HN 0.696 nan 8.230 nan 0.000 0.463 451 G N 1.915 110.239 108.800 -0.794 0.000 2.234 451 G HA2 -0.074 3.888 3.960 0.002 0.000 0.235 451 G HA3 -0.074 3.888 3.960 0.002 0.000 0.235 451 G C 0.549 175.221 174.900 -0.380 0.000 0.997 451 G CA -0.103 44.809 45.100 -0.314 0.000 0.623 451 G HN 1.520 nan 8.290 nan 0.000 0.514 452 G N -1.350 107.058 108.800 -0.653 0.000 3.190 452 G HA2 0.189 4.150 3.960 0.002 0.000 0.686 452 G HA3 0.189 4.150 3.960 0.002 0.000 0.686 452 G C 0.205 175.054 174.900 -0.084 0.000 1.033 452 G CA 0.234 45.178 45.100 -0.261 0.000 0.797 452 G HN 1.512 nan 8.290 nan 0.000 0.567 453 F N 2.652 122.529 119.950 -0.121 0.000 2.039 453 F HA 0.282 4.810 4.527 0.002 0.000 0.294 453 F C 1.959 177.724 175.800 -0.057 0.000 1.130 453 F CA 2.204 60.165 58.000 -0.065 0.000 1.189 453 F CB -0.212 38.819 39.000 0.052 0.000 0.983 453 F HN 0.838 nan 8.300 nan 0.000 0.471 454 G N 0.291 109.020 108.800 -0.119 0.000 2.537 454 G HA2 0.404 4.366 3.960 0.002 0.000 0.273 454 G HA3 0.404 4.366 3.960 0.002 0.000 0.273 454 G C -1.210 173.590 174.900 -0.167 0.000 1.189 454 G CA 0.122 45.089 45.100 -0.223 0.000 0.881 454 G HN 0.476 nan 8.290 nan 0.000 0.535 455 D N -1.099 119.233 120.400 -0.113 0.000 5.703 455 D HA -0.150 4.491 4.640 0.002 0.000 0.317 455 D C -0.928 175.363 176.300 -0.015 0.000 2.508 455 D CA 0.703 54.693 54.000 -0.018 0.000 1.333 455 D CB -0.195 40.653 40.800 0.080 0.000 1.145 455 D HN 0.409 nan 8.370 nan 0.000 1.293 456 D N 0.213 120.644 120.400 0.050 0.000 2.274 456 D HA 0.346 4.987 4.640 0.002 0.000 0.239 456 D C 0.250 176.616 176.300 0.109 0.000 1.104 456 D CA 0.014 54.051 54.000 0.063 0.000 0.840 456 D CB 1.330 42.173 40.800 0.071 0.000 1.100 456 D HN 0.169 nan 8.370 nan 0.000 0.477 457 T N 0.696 115.315 114.554 0.108 0.000 2.788 457 T HA 0.484 4.835 4.350 0.002 0.000 0.280 457 T C 0.133 174.934 174.700 0.168 0.000 0.984 457 T CA -0.253 61.923 62.100 0.127 0.000 0.972 457 T CB 0.663 69.593 68.868 0.105 0.000 1.039 457 T HN 0.513 nan 8.240 nan 0.000 0.530 458 T N -0.284 114.347 114.554 0.129 0.000 2.916 458 T HA 0.445 4.796 4.350 0.002 0.000 0.292 458 T C 1.133 175.781 174.700 -0.087 0.000 1.064 458 T CA -0.988 61.186 62.100 0.123 0.000 1.011 458 T CB 1.546 70.525 68.868 0.186 0.000 1.152 458 T HN 0.593 nan 8.240 nan 0.000 0.510 459 R N 0.762 121.139 120.500 -0.205 0.000 2.112 459 R HA -0.196 4.145 4.340 0.002 0.000 0.242 459 R C 1.816 178.017 176.300 -0.164 0.000 1.137 459 R CA 2.762 58.587 56.100 -0.458 0.000 0.944 459 R CB -0.661 29.561 30.300 -0.131 0.000 0.857 459 R HN 0.898 nan 8.270 nan 0.000 0.435 460 D N 0.541 120.947 120.400 0.009 0.000 2.117 460 D HA -0.204 4.437 4.640 0.002 0.000 0.198 460 D C 2.056 178.417 176.300 0.102 0.000 0.982 460 D CA 0.801 54.866 54.000 0.108 0.000 0.828 460 D CB -0.641 40.304 40.800 0.242 0.000 0.967 460 D HN 0.300 nan 8.370 nan 0.000 0.464 461 L N 0.257 121.503 121.223 0.039 0.000 2.079 461 L HA -0.089 4.252 4.340 0.002 0.000 0.210 461 L C 2.274 179.044 176.870 -0.166 0.000 1.081 461 L CA 1.265 55.834 54.840 -0.451 0.000 0.752 461 L CB -0.873 40.929 42.059 -0.427 0.000 0.896 461 L HN 0.120 nan 8.230 nan 0.000 0.433 462 L N -1.056 120.146 121.223 -0.035 0.000 2.056 462 L HA -0.130 4.211 4.340 0.002 0.000 0.207 462 L C 2.270 179.220 176.870 0.132 0.000 1.078 462 L CA 1.697 56.591 54.840 0.089 0.000 0.749 462 L CB -0.621 41.456 42.059 0.030 0.000 0.901 462 L HN 0.294 nan 8.230 nan 0.000 0.433 463 L N -0.717 120.515 121.223 0.016 0.000 2.046 463 L HA -0.173 4.168 4.340 0.002 0.000 0.208 463 L C 2.787 179.663 176.870 0.009 0.000 1.077 463 L CA 1.002 55.798 54.840 -0.073 0.000 0.747 463 L CB -0.582 41.321 42.059 -0.259 0.000 0.896 463 L HN 0.229 nan 8.230 nan 0.000 0.432 464 R N -0.882 119.623 120.500 0.008 0.000 2.092 464 R HA -0.096 4.245 4.340 0.002 0.000 0.231 464 R C 2.215 178.532 176.300 0.030 0.000 1.119 464 R CA 1.137 57.253 56.100 0.028 0.000 0.970 464 R CB -0.806 29.518 30.300 0.039 0.000 0.864 464 R HN 0.228 nan 8.270 nan 0.000 0.440 465 F N 1.465 121.390 119.950 -0.043 0.000 2.095 465 F HA -0.146 4.382 4.527 0.002 0.000 0.298 465 F C 2.386 178.229 175.800 0.073 0.000 1.104 465 F CA 1.269 59.278 58.000 0.015 0.000 1.232 465 F CB -0.591 38.407 39.000 -0.003 0.000 0.987 465 F HN -0.102 nan 8.300 nan 0.000 0.475 466 L N -0.832 120.562 121.223 0.285 0.000 2.079 466 L HA -0.248 4.094 4.340 0.002 0.000 0.210 466 L C 2.600 179.551 176.870 0.134 0.000 1.081 466 L CA 1.201 56.160 54.840 0.199 0.000 0.752 466 L CB -1.062 41.082 42.059 0.142 0.000 0.896 466 L HN 0.141 nan 8.230 nan 0.000 0.433 467 A N -0.314 122.579 122.820 0.121 0.000 2.015 467 A HA -0.170 4.151 4.320 0.002 0.000 0.219 467 A C 2.172 179.887 177.584 0.218 0.000 1.163 467 A CA 1.355 53.463 52.037 0.119 0.000 0.646 467 A CB -0.421 18.658 19.000 0.132 0.000 0.806 467 A HN 0.349 nan 8.150 nan 0.000 0.448 468 L N -0.278 121.092 121.223 0.246 0.000 2.095 468 L HA 0.160 4.501 4.340 0.002 0.000 0.204 468 L C 2.297 179.358 176.870 0.319 0.000 1.080 468 L CA 2.088 57.123 54.840 0.325 0.000 0.759 468 L CB -1.045 41.152 42.059 0.230 0.000 0.914 468 L HN 0.243 nan 8.230 nan 0.000 0.439 469 G N -0.678 108.269 108.800 0.245 0.000 2.450 469 G HA2 -0.221 3.740 3.960 0.002 0.000 0.220 469 G HA3 -0.221 3.740 3.960 0.002 0.000 0.220 469 G C 1.579 176.552 174.900 0.121 0.000 1.130 469 G CA 1.030 46.251 45.100 0.202 0.000 0.760 469 G HN 0.319 nan 8.290 nan 0.000 0.557 470 V N 0.161 120.071 119.914 -0.007 0.000 2.313 470 V HA -0.230 3.892 4.120 0.002 0.000 0.253 470 V C 2.331 178.261 176.094 -0.273 0.000 1.070 470 V CA 1.918 64.056 62.300 -0.271 0.000 1.057 470 V CB -0.488 30.964 31.823 -0.619 0.000 0.653 470 V HN 0.422 nan 8.190 nan 0.000 0.450 471 F N -0.212 119.897 119.950 0.264 0.000 2.749 471 F HA 0.139 4.667 4.527 0.002 0.000 0.300 471 F C 1.365 177.470 175.800 0.509 0.000 1.103 471 F CA 0.284 58.517 58.000 0.388 0.000 1.342 471 F CB -0.459 38.826 39.000 0.475 0.000 1.098 471 F HN 0.149 nan 8.300 nan 0.000 0.586 472 T N -2.108 112.734 114.554 0.481 0.000 2.771 472 T HA 0.261 4.612 4.350 0.002 0.000 0.291 472 T C -1.922 172.777 174.700 -0.001 0.000 0.954 472 T CA -2.163 60.153 62.100 0.359 0.000 1.045 472 T CB 1.800 70.800 68.868 0.221 0.000 0.917 472 T HN -0.224 nan 8.240 nan 0.000 0.484 473 P HA -0.114 nan 4.420 nan 0.000 0.217 473 P C 0.524 177.285 177.300 -0.898 0.000 1.158 473 P CA 0.613 63.276 63.100 -0.729 0.000 0.887 473 P CB -0.011 31.195 31.700 -0.823 0.000 0.792 474 L N -0.356 120.257 121.223 -1.017 0.000 2.315 474 L HA 0.298 4.639 4.340 0.002 0.000 0.283 474 L C -0.188 176.468 176.870 -0.356 0.000 1.089 474 L CA 0.290 54.641 54.840 -0.815 0.000 0.833 474 L CB -0.318 41.160 42.059 -0.967 0.000 1.170 474 L HN -0.118 nan 8.230 nan 0.000 0.442 475 M N 7.496 126.976 119.600 -0.201 0.000 2.006 475 M HA 0.460 4.941 4.480 0.002 0.000 0.314 475 M C -1.137 175.131 176.300 -0.053 0.000 0.926 475 M CA -0.524 54.764 55.300 -0.020 0.000 0.906 475 M CB 0.296 32.967 32.600 0.118 0.000 1.422 475 M HN 0.820 nan 8.290 nan 0.000 0.397 476 R N 1.666 122.088 120.500 -0.130 0.000 2.651 476 R HA 0.481 4.823 4.340 0.002 0.000 0.278 476 R C -1.654 174.560 176.300 -0.143 0.000 1.010 476 R CA -0.874 55.054 56.100 -0.287 0.000 0.896 476 R CB 1.501 31.538 30.300 -0.438 0.000 1.211 476 R HN 0.367 nan 8.270 nan 0.000 0.456 477 D N 1.778 122.114 120.400 -0.107 0.000 2.347 477 D HA 0.194 4.835 4.640 0.002 0.000 0.235 477 D C -1.284 175.041 176.300 0.042 0.000 1.149 477 D CA 0.059 54.105 54.000 0.076 0.000 0.850 477 D CB 0.765 41.752 40.800 0.311 0.000 1.061 477 D HN 0.626 nan 8.370 nan 0.000 0.487 478 H N 1.584 120.596 119.070 -0.097 0.000 2.851 478 H HA 0.715 5.272 4.556 0.002 0.000 0.372 478 H C -1.688 173.687 175.328 0.078 0.000 1.158 478 H CA -0.663 55.346 56.048 -0.064 0.000 1.159 478 H CB 1.759 31.392 29.762 -0.215 0.000 1.757 478 H HN 0.349 nan 8.280 nan 0.000 0.546 479 A N 2.646 125.174 122.820 -0.486 0.000 2.486 479 A HA 0.771 5.093 4.320 0.002 0.000 0.300 479 A C -0.797 176.432 177.584 -0.592 0.000 1.048 479 A CA -0.229 51.564 52.037 -0.407 0.000 0.696 479 A CB 1.094 19.942 19.000 -0.255 0.000 1.278 479 A HN 0.960 nan 8.150 nan 0.000 0.405 480 A N 0.999 123.217 122.820 -1.003 0.000 2.346 480 A HA 0.549 4.870 4.320 0.002 0.000 0.252 480 A C 0.501 177.819 177.584 -0.444 0.000 1.089 480 A CA 0.191 51.722 52.037 -0.845 0.000 0.797 480 A CB -0.099 18.181 19.000 -1.199 0.000 1.047 480 A HN 1.068 nan 8.150 nan 0.000 0.494 481 E N 0.010 119.876 120.200 -0.557 0.000 2.398 481 E HA 0.412 4.763 4.350 0.002 0.000 0.263 481 E C 0.843 177.152 176.600 -0.485 0.000 1.046 481 E CA -0.064 55.916 56.400 -0.700 0.000 0.908 481 E CB 0.312 29.233 29.700 -1.297 0.000 0.963 481 E HN 1.757 nan 8.360 nan 0.000 0.431 482 G N 2.574 111.172 108.800 -0.338 0.000 2.205 482 G HA2 -0.355 3.606 3.960 0.002 0.000 0.261 482 G HA3 -0.355 3.606 3.960 0.002 0.000 0.261 482 G C 0.458 175.251 174.900 -0.178 0.000 0.980 482 G CA 0.571 45.533 45.100 -0.229 0.000 0.632 482 G HN 1.049 nan 8.290 nan 0.000 0.533 483 T N -1.411 113.018 114.554 -0.207 0.000 2.788 483 T HA 0.563 4.914 4.350 0.002 0.000 0.287 483 T C 0.615 175.250 174.700 -0.108 0.000 1.007 483 T CA -0.039 61.968 62.100 -0.155 0.000 1.005 483 T CB 1.544 70.291 68.868 -0.202 0.000 1.012 483 T HN 0.498 nan 8.240 nan 0.000 0.530 484 R N 1.061 121.526 120.500 -0.057 0.000 2.623 484 R HA 0.017 4.358 4.340 0.002 0.000 0.271 484 R C 0.033 176.297 176.300 -0.060 0.000 1.043 484 R CA 0.095 56.173 56.100 -0.037 0.000 1.083 484 R CB 0.186 30.503 30.300 0.028 0.000 0.974 484 R HN 0.736 nan 8.270 nan 0.000 0.436 485 E N 2.591 122.731 120.200 -0.101 0.000 2.415 485 E HA -0.113 4.239 4.350 0.002 0.000 0.263 485 E C 0.310 176.816 176.600 -0.157 0.000 0.995 485 E CA 0.334 56.656 56.400 -0.130 0.000 0.915 485 E CB 0.616 30.227 29.700 -0.149 0.000 0.951 485 E HN 0.532 nan 8.360 nan 0.000 0.449 486 Q N 1.423 121.178 119.800 -0.075 0.000 2.110 486 Q HA 0.161 4.502 4.340 0.002 0.000 0.232 486 Q C -0.666 175.363 176.000 0.048 0.000 0.810 486 Q CA -0.357 55.493 55.803 0.079 0.000 1.083 486 Q CB 0.384 29.225 28.738 0.171 0.000 1.193 486 Q HN 0.308 nan 8.270 nan 0.000 0.471 487 E N 0.359 120.465 120.200 -0.156 0.000 2.438 487 E HA -0.025 4.326 4.350 0.002 0.000 0.261 487 E C 0.468 176.796 176.600 -0.454 0.000 1.103 487 E CA 0.187 56.424 56.400 -0.271 0.000 0.959 487 E CB 0.557 29.803 29.700 -0.757 0.000 0.958 487 E HN 0.273 nan 8.360 nan 0.000 0.447 488 C N 0.997 120.032 119.300 -0.443 0.000 2.435 488 C HA -0.120 4.341 4.460 0.002 0.000 0.279 488 C C 1.959 176.536 174.990 -0.690 0.000 1.321 488 C CA 0.629 59.237 59.018 -0.683 0.000 1.752 488 C CB -1.178 26.268 27.740 -0.489 0.000 1.959 488 C HN 0.833 nan 8.230 nan 0.000 0.500 489 Y N -0.156 119.874 120.300 -0.450 0.000 2.553 489 Y HA 0.145 4.696 4.550 0.002 0.000 0.303 489 Y C 1.956 177.690 175.900 -0.277 0.000 1.194 489 Y CA 0.229 58.136 58.100 -0.322 0.000 1.305 489 Y CB -0.903 37.380 38.460 -0.294 0.000 1.045 489 Y HN 0.229 nan 8.280 nan 0.000 0.514 490 Q N 0.495 119.962 119.800 -0.554 0.000 2.403 490 Q HA 0.177 4.519 4.340 0.002 0.000 0.203 490 Q C -0.825 174.738 176.000 -0.727 0.000 0.932 490 Q CA 0.328 55.743 55.803 -0.647 0.000 0.945 490 Q CB 0.004 28.176 28.738 -0.944 0.000 1.045 490 Q HN 0.474 nan 8.270 nan 0.000 0.511 491 F N 0.198 120.066 119.950 -0.138 0.000 2.618 491 F HA 0.310 4.838 4.527 0.002 0.000 0.332 491 F C 0.545 176.399 175.800 0.090 0.000 1.061 491 F CA -1.480 56.523 58.000 0.004 0.000 0.974 491 F CB 0.866 39.916 39.000 0.084 0.000 1.310 491 F HN -0.252 nan 8.300 nan 0.000 0.491 492 E N -0.494 119.914 120.200 0.347 0.000 2.392 492 E HA 0.195 4.546 4.350 0.002 0.000 0.259 492 E C -0.737 176.021 176.600 0.264 0.000 1.108 492 E CA -0.298 56.242 56.400 0.233 0.000 0.916 492 E CB -0.092 29.716 29.700 0.179 0.000 0.989 492 E HN 0.522 nan 8.360 nan 0.000 0.432 493 N N 0.500 119.308 118.700 0.179 0.000 2.688 493 N HA -0.250 4.491 4.740 0.002 0.000 0.258 493 N C 0.249 175.894 175.510 0.225 0.000 1.016 493 N CA 0.181 53.322 53.050 0.152 0.000 0.747 493 N CB -0.885 37.664 38.487 0.104 0.000 0.895 493 N HN 0.544 nan 8.380 nan 0.000 0.543 494 I N 0.602 121.323 120.570 0.251 0.000 2.657 494 I HA -0.285 3.886 4.170 0.002 0.000 0.261 494 I C 2.377 178.658 176.117 0.273 0.000 1.212 494 I CA 1.408 62.909 61.300 0.335 0.000 1.453 494 I CB -0.005 38.100 38.000 0.175 0.000 1.092 494 I HN 0.392 nan 8.210 nan 0.000 0.452 495 E N 0.296 120.591 120.200 0.158 0.000 2.153 495 E HA -0.281 4.070 4.350 0.002 0.000 0.194 495 E C 1.150 177.787 176.600 0.062 0.000 0.988 495 E CA 1.394 57.853 56.400 0.098 0.000 0.811 495 E CB -0.606 29.131 29.700 0.063 0.000 0.746 495 E HN 0.546 nan 8.360 nan 0.000 0.466 496 D N 0.378 120.787 120.400 0.016 0.000 2.178 496 D HA -0.090 4.551 4.640 0.002 0.000 0.201 496 D C 1.784 177.948 176.300 -0.226 0.000 0.980 496 D CA 0.820 54.736 54.000 -0.140 0.000 0.842 496 D CB -0.375 40.269 40.800 -0.259 0.000 0.948 496 D HN 0.250 nan 8.370 nan 0.000 0.472 497 F N 0.947 120.896 119.950 -0.002 0.000 2.163 497 F HA 0.015 4.543 4.527 0.002 0.000 0.297 497 F C 2.579 178.352 175.800 -0.044 0.000 1.094 497 F CA 0.549 58.532 58.000 -0.028 0.000 1.290 497 F CB -0.326 38.663 39.000 -0.020 0.000 1.017 497 F HN -0.182 nan 8.300 nan 0.000 0.483 498 R N 0.318 120.910 120.500 0.154 0.000 2.091 498 R HA -0.158 4.184 4.340 0.002 0.000 0.238 498 R C 2.272 178.591 176.300 0.033 0.000 1.136 498 R CA 1.802 57.949 56.100 0.079 0.000 0.959 498 R CB -0.419 29.930 30.300 0.082 0.000 0.856 498 R HN 0.190 nan 8.270 nan 0.000 0.437 499 S N -0.079 115.632 115.700 0.019 0.000 2.356 499 S HA -0.115 4.356 4.470 0.002 0.000 0.223 499 S C 1.926 176.513 174.600 -0.022 0.000 1.032 499 S CA 1.465 59.666 58.200 0.003 0.000 1.005 499 S CB -0.130 63.067 63.200 -0.005 0.000 0.867 499 S HN 0.171 nan 8.310 nan 0.000 0.449 500 V N 2.054 121.941 119.914 -0.045 0.000 2.379 500 V HA -0.081 4.040 4.120 0.002 0.000 0.245 500 V C 2.018 178.062 176.094 -0.082 0.000 1.044 500 V CA 1.310 63.570 62.300 -0.067 0.000 1.036 500 V CB -0.637 31.142 31.823 -0.073 0.000 0.664 500 V HN 0.465 nan 8.190 nan 0.000 0.453 501 I N 0.404 120.939 120.570 -0.058 0.000 2.439 501 I HA -0.151 4.020 4.170 0.002 0.000 0.251 501 I C 2.287 178.438 176.117 0.057 0.000 1.139 501 I CA 1.011 62.286 61.300 -0.041 0.000 1.438 501 I CB -0.583 37.343 38.000 -0.123 0.000 1.085 501 I HN 0.334 nan 8.210 nan 0.000 0.427 502 N N 1.591 120.297 118.700 0.010 0.000 2.149 502 N HA -0.153 4.589 4.740 0.002 0.000 0.188 502 N C 1.950 177.417 175.510 -0.071 0.000 1.019 502 N CA 1.640 54.701 53.050 0.017 0.000 0.857 502 N CB -0.324 38.168 38.487 0.008 0.000 0.997 502 N HN 0.360 nan 8.380 nan 0.000 0.426 503 A N 1.126 123.807 122.820 -0.231 0.000 1.908 503 A HA -0.185 4.136 4.320 0.002 0.000 0.218 503 A C 2.255 179.527 177.584 -0.521 0.000 1.181 503 A CA 1.847 53.483 52.037 -0.669 0.000 0.627 503 A CB -0.505 18.073 19.000 -0.702 0.000 0.818 503 A HN 0.259 nan 8.150 nan 0.000 0.445 504 R N -1.018 119.324 120.500 -0.263 0.000 2.080 504 R HA -0.187 4.154 4.340 0.002 0.000 0.236 504 R C 1.793 178.013 176.300 -0.133 0.000 1.137 504 R CA 2.305 58.292 56.100 -0.189 0.000 0.943 504 R CB -1.177 29.072 30.300 -0.086 0.000 0.846 504 R HN 0.529 nan 8.270 nan 0.000 0.431 505 Y N 0.452 120.712 120.300 -0.067 0.000 2.242 505 Y HA -0.044 4.508 4.550 0.002 0.000 0.291 505 Y C 2.350 178.243 175.900 -0.011 0.000 1.137 505 Y CA 1.832 59.929 58.100 -0.005 0.000 1.181 505 Y CB -0.115 38.354 38.460 0.016 0.000 0.989 505 Y HN 0.080 nan 8.280 nan 0.000 0.527 506 R N -0.313 120.229 120.500 0.070 0.000 2.152 506 R HA -0.116 4.225 4.340 0.002 0.000 0.232 506 R C 1.652 177.990 176.300 0.063 0.000 1.117 506 R CA 1.245 57.381 56.100 0.060 0.000 0.981 506 R CB -0.415 29.917 30.300 0.053 0.000 0.870 506 R HN 0.348 nan 8.270 nan 0.000 0.451 507 L N 0.005 121.222 121.223 -0.010 0.000 2.567 507 L HA 0.013 4.354 4.340 0.002 0.000 0.225 507 L C 1.970 178.918 176.870 0.130 0.000 1.119 507 L CA -0.109 54.789 54.840 0.096 0.000 0.871 507 L CB 0.219 42.315 42.059 0.061 0.000 1.036 507 L HN -0.047 nan 8.230 nan 0.000 0.459 508 V N 1.125 121.069 119.914 0.049 0.000 2.287 508 V HA -0.201 3.920 4.120 0.002 0.000 0.248 508 V C -0.112 176.018 176.094 0.060 0.000 1.053 508 V CA 2.195 64.511 62.300 0.026 0.000 1.027 508 V CB -1.133 30.646 31.823 -0.073 0.000 0.646 508 V HN 0.346 nan 8.190 nan 0.000 0.447 509 P HA -0.210 nan 4.420 nan 0.000 0.216 509 P C 1.567 178.982 177.300 0.192 0.000 1.153 509 P CA 1.689 64.873 63.100 0.140 0.000 0.858 509 P CB -0.146 31.640 31.700 0.143 0.000 0.789 510 Y N 0.157 120.511 120.300 0.089 0.000 2.220 510 Y HA -0.112 4.439 4.550 0.002 0.000 0.291 510 Y C 1.971 177.946 175.900 0.126 0.000 1.129 510 Y CA 1.357 59.502 58.100 0.074 0.000 1.161 510 Y CB -1.036 37.406 38.460 -0.030 0.000 0.997 510 Y HN -0.213 nan 8.280 nan 0.000 0.522 511 L N -1.159 120.025 121.223 -0.066 0.000 2.027 511 L HA -0.203 4.138 4.340 0.002 0.000 0.206 511 L C 2.325 179.171 176.870 -0.040 0.000 1.074 511 L CA 1.620 56.449 54.840 -0.019 0.000 0.745 511 L CB -1.029 41.210 42.059 0.299 0.000 0.898 511 L HN 0.261 nan 8.230 nan 0.000 0.433 512 Y N 0.599 120.639 120.300 -0.433 0.000 2.128 512 Y HA -0.344 4.207 4.550 0.002 0.000 0.284 512 Y C 3.016 178.732 175.900 -0.306 0.000 1.154 512 Y CA 1.587 59.208 58.100 -0.798 0.000 1.149 512 Y CB -0.568 37.485 38.460 -0.678 0.000 0.976 512 Y HN 0.117 nan 8.280 nan 0.000 0.505 513 S N -0.210 115.404 115.700 -0.143 0.000 2.359 513 S HA -0.237 4.235 4.470 0.002 0.000 0.222 513 S C 2.001 176.513 174.600 -0.146 0.000 1.038 513 S CA 1.802 59.951 58.200 -0.087 0.000 1.051 513 S CB -0.416 62.888 63.200 0.172 0.000 0.944 513 S HN 0.592 nan 8.310 nan 0.000 0.433 514 E N -0.187 119.926 120.200 -0.146 0.000 2.110 514 E HA -0.126 4.225 4.350 0.002 0.000 0.193 514 E C 1.724 178.342 176.600 0.030 0.000 0.988 514 E CA 1.112 57.448 56.400 -0.108 0.000 0.804 514 E CB -0.622 28.888 29.700 -0.316 0.000 0.745 514 E HN 0.821 nan 8.360 nan 0.000 0.458 515 Y N 0.783 121.098 120.300 0.025 0.000 2.145 515 Y HA -0.240 4.311 4.550 0.002 0.000 0.286 515 Y C 2.288 178.033 175.900 -0.259 0.000 1.145 515 Y CA 1.650 59.761 58.100 0.019 0.000 1.148 515 Y CB -0.028 38.451 38.460 0.031 0.000 0.981 515 Y HN -0.062 nan 8.280 nan 0.000 0.507 516 M N 0.471 119.878 119.600 -0.322 0.000 2.067 516 M HA -0.231 4.250 4.480 0.002 0.000 0.260 516 M C 2.021 177.945 176.300 -0.628 0.000 1.069 516 M CA 1.829 56.712 55.300 -0.695 0.000 1.117 516 M CB -1.183 30.581 32.600 -1.395 0.000 1.334 516 M HN 0.201 nan 8.290 nan 0.000 0.407 517 K N 0.279 120.396 120.400 -0.470 0.000 2.044 517 K HA -0.152 4.170 4.320 0.002 0.000 0.210 517 K C 2.118 178.599 176.600 -0.198 0.000 1.049 517 K CA 1.902 58.049 56.287 -0.234 0.000 0.927 517 K CB -0.425 32.024 32.500 -0.086 0.000 0.713 517 K HN 0.361 nan 8.250 nan 0.000 0.443 518 A N 1.143 123.842 122.820 -0.201 0.000 1.873 518 A HA -0.095 4.226 4.320 0.002 0.000 0.215 518 A C 2.364 179.797 177.584 -0.252 0.000 1.186 518 A CA 1.835 53.766 52.037 -0.176 0.000 0.616 518 A CB -0.815 18.106 19.000 -0.132 0.000 0.823 518 A HN 0.346 nan 8.150 nan 0.000 0.442 519 A N -0.244 122.340 122.820 -0.394 0.000 1.902 519 A HA -0.012 4.309 4.320 0.002 0.000 0.217 519 A C 2.086 179.491 177.584 -0.299 0.000 1.181 519 A CA 1.476 53.277 52.037 -0.394 0.000 0.623 519 A CB -0.615 18.089 19.000 -0.494 0.000 0.818 519 A HN 0.468 nan 8.150 nan 0.000 0.443 520 L N -0.370 120.667 121.223 -0.309 0.000 2.376 520 L HA -0.049 4.293 4.340 0.002 0.000 0.219 520 L C 0.959 177.742 176.870 -0.146 0.000 1.133 520 L CA 0.625 55.326 54.840 -0.232 0.000 0.816 520 L CB -0.283 41.646 42.059 -0.217 0.000 0.933 520 L HN 0.373 nan 8.230 nan 0.000 0.449 521 N N -0.615 118.000 118.700 -0.142 0.000 2.282 521 N HA 0.020 4.761 4.740 0.002 0.000 0.240 521 N C -0.588 174.857 175.510 -0.108 0.000 1.182 521 N CA 0.040 53.028 53.050 -0.105 0.000 0.874 521 N CB 0.509 38.947 38.487 -0.082 0.000 1.126 521 N HN 0.060 nan 8.380 nan 0.000 0.516 522 D N 1.380 121.702 120.400 -0.129 0.000 2.686 522 D HA -0.188 4.453 4.640 0.002 0.000 0.235 522 D C -0.327 175.921 176.300 -0.086 0.000 1.160 522 D CA 1.378 55.303 54.000 -0.125 0.000 0.645 522 D CB -0.643 40.078 40.800 -0.131 0.000 1.039 522 D HN 0.352 nan 8.370 nan 0.000 0.423 523 D N -0.948 119.410 120.400 -0.069 0.000 2.467 523 D HA 0.522 5.164 4.640 0.002 0.000 0.245 523 D C 0.316 176.639 176.300 0.038 0.000 1.038 523 D CA -0.578 53.429 54.000 0.012 0.000 1.038 523 D CB 1.058 41.871 40.800 0.020 0.000 1.278 523 D HN -0.079 nan 8.370 nan 0.000 0.564 524 M N 1.483 121.164 119.600 0.135 0.000 2.277 524 M HA 0.186 4.667 4.480 0.002 0.000 0.350 524 M C 0.230 176.584 176.300 0.090 0.000 1.180 524 M CA -0.550 54.827 55.300 0.128 0.000 1.103 524 M CB 1.797 34.505 32.600 0.181 0.000 1.577 524 M HN 0.506 nan 8.290 nan 0.000 0.459 525 Y N 1.991 122.255 120.300 -0.061 0.000 2.262 525 Y HA 0.232 4.784 4.550 0.002 0.000 0.295 525 Y C -0.207 175.558 175.900 -0.224 0.000 1.121 525 Y CA 0.895 58.901 58.100 -0.157 0.000 1.144 525 Y CB 0.572 38.932 38.460 -0.166 0.000 1.043 525 Y HN 0.433 nan 8.280 nan 0.000 0.528 526 F N 2.075 122.132 119.950 0.178 0.000 2.422 526 F HA 0.465 4.993 4.527 0.002 0.000 0.333 526 F C -0.495 175.267 175.800 -0.064 0.000 1.095 526 F CA -0.763 57.255 58.000 0.031 0.000 1.038 526 F CB 1.496 40.558 39.000 0.103 0.000 1.156 526 F HN -0.231 nan 8.300 nan 0.000 0.483 527 K N 3.637 124.076 120.400 0.064 0.000 2.422 527 K HA 0.484 4.806 4.320 0.002 0.000 0.251 527 K C -2.876 173.574 176.600 -0.250 0.000 0.933 527 K CA -2.105 54.069 56.287 -0.188 0.000 0.798 527 K CB 2.017 34.391 32.500 -0.209 0.000 1.238 527 K HN 0.188 nan 8.250 nan 0.000 0.428 528 P HA 0.040 nan 4.420 nan 0.000 0.272 528 P C 0.391 177.597 177.300 -0.156 0.000 1.223 528 P CA -0.428 62.471 63.100 -0.335 0.000 0.784 528 P CB 0.521 31.930 31.700 -0.486 0.000 0.923 529 L N 2.460 123.694 121.223 0.017 0.000 2.081 529 L HA -0.148 4.194 4.340 0.002 0.000 0.212 529 L C 2.491 179.493 176.870 0.220 0.000 1.080 529 L CA 2.429 57.371 54.840 0.170 0.000 0.754 529 L CB -1.614 40.581 42.059 0.226 0.000 0.893 529 L HN 0.579 nan 8.230 nan 0.000 0.433 530 G N -1.751 107.167 108.800 0.195 0.000 2.462 530 G HA2 -0.283 3.678 3.960 0.002 0.000 0.220 530 G HA3 -0.283 3.678 3.960 0.002 0.000 0.220 530 G C 1.416 176.489 174.900 0.288 0.000 1.121 530 G CA 0.375 45.636 45.100 0.270 0.000 0.758 530 G HN 0.266 nan 8.290 nan 0.000 0.559 531 F N 0.526 120.389 119.950 -0.145 0.000 2.234 531 F HA 0.023 4.551 4.527 0.002 0.000 0.299 531 F C 2.650 178.274 175.800 -0.293 0.000 1.087 531 F CA 0.129 57.950 58.000 -0.298 0.000 1.340 531 F CB -0.460 38.181 39.000 -0.598 0.000 1.031 531 F HN 0.025 nan 8.300 nan 0.000 0.500 532 V N -2.581 117.256 119.914 -0.129 0.000 2.992 532 V HA -0.110 4.012 4.120 0.002 0.000 0.250 532 V C -0.198 175.556 176.094 -0.567 0.000 1.090 532 V CA 0.795 62.844 62.300 -0.420 0.000 1.101 532 V CB -0.542 30.891 31.823 -0.650 0.000 0.743 532 V HN 0.179 nan 8.190 nan 0.000 0.468 533 Y N -0.367 119.983 120.300 0.083 0.000 2.495 533 Y HA 0.393 4.944 4.550 0.002 0.000 0.362 533 Y C -1.891 174.066 175.900 0.095 0.000 0.956 533 Y CA -2.625 55.525 58.100 0.084 0.000 1.127 533 Y CB 0.171 38.684 38.460 0.088 0.000 1.173 533 Y HN 0.206 nan 8.280 nan 0.000 0.639 534 P HA -0.131 nan 4.420 nan 0.000 0.218 534 P C 0.683 178.065 177.300 0.137 0.000 1.148 534 P CA 1.590 64.777 63.100 0.144 0.000 0.822 534 P CB 0.473 32.231 31.700 0.096 0.000 0.784 535 D N -1.430 119.053 120.400 0.137 0.000 2.355 535 D HA -0.035 4.606 4.640 0.002 0.000 0.218 535 D C 0.309 176.675 176.300 0.110 0.000 1.004 535 D CA 0.751 54.817 54.000 0.109 0.000 0.880 535 D CB -0.367 40.490 40.800 0.096 0.000 0.911 535 D HN 0.177 nan 8.370 nan 0.000 0.528 536 D N 1.017 121.503 120.400 0.142 0.000 2.467 536 D HA 0.076 4.718 4.640 0.002 0.000 0.220 536 D C 0.859 177.208 176.300 0.082 0.000 1.103 536 D CA -0.271 53.802 54.000 0.121 0.000 0.886 536 D CB 0.700 41.598 40.800 0.163 0.000 1.025 536 D HN -0.140 nan 8.370 nan 0.000 0.514 537 K N 2.521 122.944 120.400 0.040 0.000 2.360 537 K HA -0.158 4.164 4.320 0.002 0.000 0.201 537 K C 1.615 178.187 176.600 -0.046 0.000 1.046 537 K CA 0.861 57.154 56.287 0.010 0.000 0.945 537 K CB 0.177 32.678 32.500 0.002 0.000 0.750 537 K HN 0.377 nan 8.250 nan 0.000 0.464 538 M N 0.382 119.914 119.600 -0.113 0.000 2.160 538 M HA 0.012 4.493 4.480 0.002 0.000 0.264 538 M C 2.007 178.164 176.300 -0.237 0.000 1.073 538 M CA 1.403 56.529 55.300 -0.291 0.000 1.142 538 M CB -0.089 32.134 32.600 -0.629 0.000 1.358 538 M HN 0.049 nan 8.290 nan 0.000 0.422 539 A N 1.184 123.969 122.820 -0.059 0.000 1.908 539 A HA -0.139 4.182 4.320 0.002 0.000 0.218 539 A C 2.177 179.829 177.584 0.113 0.000 1.181 539 A CA 2.036 54.145 52.037 0.119 0.000 0.627 539 A CB -1.544 17.596 19.000 0.233 0.000 0.818 539 A HN 0.815 nan 8.150 nan 0.000 0.445 540 I N -3.271 117.363 120.570 0.107 0.000 2.454 540 I HA -0.186 3.985 4.170 0.002 0.000 0.254 540 I C 1.857 178.028 176.117 0.089 0.000 1.156 540 I CA 1.613 62.997 61.300 0.139 0.000 1.433 540 I CB -0.394 37.692 38.000 0.145 0.000 1.082 540 I HN 0.171 nan 8.210 nan 0.000 0.432 541 R N 1.210 121.723 120.500 0.022 0.000 2.317 541 R HA 0.307 4.648 4.340 0.002 0.000 0.208 541 R C 0.292 176.588 176.300 -0.008 0.000 0.914 541 R CA -0.138 55.957 56.100 -0.008 0.000 1.060 541 R CB 0.274 30.551 30.300 -0.039 0.000 1.015 541 R HN 0.206 nan 8.270 nan 0.000 0.498 542 V N 2.183 122.104 119.914 0.011 0.000 2.585 542 V HA -0.034 4.087 4.120 0.002 0.000 0.296 542 V C 1.078 177.189 176.094 0.027 0.000 1.035 542 V CA 0.878 63.193 62.300 0.025 0.000 1.084 542 V CB 1.083 32.945 31.823 0.065 0.000 0.953 542 V HN 0.307 nan 8.190 nan 0.000 0.483 543 E N 1.694 121.904 120.200 0.017 0.000 2.606 543 E HA 0.048 4.399 4.350 0.002 0.000 0.224 543 E C -0.011 176.574 176.600 -0.025 0.000 0.930 543 E CA 0.236 56.632 56.400 -0.006 0.000 1.125 543 E CB 0.642 30.333 29.700 -0.015 0.000 1.123 543 E HN 0.960 nan 8.360 nan 0.000 0.522 544 D N 0.519 120.923 120.400 0.007 0.000 2.538 544 D HA 0.058 4.700 4.640 0.002 0.000 0.231 544 D C 0.042 176.373 176.300 0.052 0.000 1.229 544 D CA -0.099 53.899 54.000 -0.003 0.000 0.828 544 D CB 0.105 40.935 40.800 0.050 0.000 1.035 544 D HN -0.032 nan 8.370 nan 0.000 0.495 545 Q N -0.013 119.808 119.800 0.034 0.000 2.389 545 Q HA 0.697 5.038 4.340 0.002 0.000 0.277 545 Q C -0.982 175.028 176.000 0.017 0.000 1.082 545 Q CA -0.806 55.020 55.803 0.039 0.000 0.810 545 Q CB 3.072 31.833 28.738 0.039 0.000 1.374 545 Q HN 0.063 nan 8.270 nan 0.000 0.422 546 L N 1.475 122.715 121.223 0.028 0.000 2.388 546 L HA 0.568 4.909 4.340 0.002 0.000 0.264 546 L C -0.853 176.082 176.870 0.108 0.000 0.998 546 L CA -1.160 53.710 54.840 0.050 0.000 0.817 546 L CB 1.833 43.911 42.059 0.031 0.000 1.338 546 L HN 0.437 nan 8.230 nan 0.000 0.414 547 M N 3.529 123.184 119.600 0.092 0.000 2.235 547 M HA 0.438 4.919 4.480 0.002 0.000 0.351 547 M C -0.580 175.758 176.300 0.064 0.000 1.178 547 M CA -0.149 55.195 55.300 0.074 0.000 1.143 547 M CB 1.164 33.777 32.600 0.021 0.000 1.530 547 M HN 0.460 nan 8.290 nan 0.000 0.461 548 L N 1.613 122.827 121.223 -0.014 0.000 2.385 548 L HA 0.683 5.024 4.340 0.002 0.000 0.273 548 L C 0.654 177.420 176.870 -0.174 0.000 0.990 548 L CA 0.091 54.788 54.840 -0.238 0.000 0.821 548 L CB 1.529 43.399 42.059 -0.316 0.000 1.279 548 L HN 0.943 nan 8.230 nan 0.000 0.412 549 G N 4.127 112.767 108.800 -0.267 0.000 2.594 549 G HA2 -0.359 3.602 3.960 0.002 0.000 0.297 549 G HA3 -0.359 3.602 3.960 0.002 0.000 0.297 549 G C 0.348 175.256 174.900 0.012 0.000 1.273 549 G CA 0.511 45.554 45.100 -0.095 0.000 0.974 549 G HN 0.784 nan 8.290 nan 0.000 0.552 550 N N 0.926 119.685 118.700 0.099 0.000 2.200 550 N HA 0.221 4.963 4.740 0.002 0.000 0.224 550 N C 1.071 176.663 175.510 0.137 0.000 1.179 550 N CA 0.649 53.757 53.050 0.097 0.000 0.877 550 N CB 1.149 39.695 38.487 0.098 0.000 1.072 550 N HN 0.553 nan 8.380 nan 0.000 0.519 551 E N 0.384 120.690 120.200 0.177 0.000 2.332 551 E HA 0.265 4.616 4.350 0.002 0.000 0.202 551 E C 0.758 177.434 176.600 0.126 0.000 0.877 551 E CA 0.310 56.807 56.400 0.163 0.000 0.979 551 E CB 1.016 30.817 29.700 0.167 0.000 0.969 551 E HN 0.382 nan 8.360 nan 0.000 0.495 552 I N -2.902 117.746 120.570 0.130 0.000 3.145 552 I HA 0.585 4.757 4.170 0.002 0.000 0.313 552 I C -1.012 175.179 176.117 0.123 0.000 1.122 552 I CA -1.401 59.973 61.300 0.124 0.000 0.987 552 I CB 2.405 40.462 38.000 0.095 0.000 1.236 552 I HN -0.105 nan 8.210 nan 0.000 0.453 553 M N 4.543 124.239 119.600 0.161 0.000 2.518 553 M HA 0.666 5.147 4.480 0.002 0.000 0.300 553 M C -1.573 174.820 176.300 0.156 0.000 1.175 553 M CA -0.829 54.556 55.300 0.141 0.000 0.890 553 M CB 2.423 35.092 32.600 0.115 0.000 1.710 553 M HN 0.762 nan 8.290 nan 0.000 0.453 554 I N 1.201 121.803 120.570 0.053 0.000 2.693 554 I HA 0.974 5.145 4.170 0.002 0.000 0.303 554 I C -0.984 175.205 176.117 0.121 0.000 1.025 554 I CA -0.787 60.499 61.300 -0.025 0.000 1.086 554 I CB 2.261 40.030 38.000 -0.385 0.000 1.268 554 I HN 0.780 nan 8.210 nan 0.000 0.440 555 A N 4.357 127.298 122.820 0.201 0.000 3.124 555 A HA 0.630 4.951 4.320 0.002 0.000 0.295 555 A C -2.899 174.832 177.584 0.244 0.000 1.199 555 A CA -0.960 51.213 52.037 0.227 0.000 0.845 555 A CB -0.182 18.982 19.000 0.274 0.000 1.381 555 A HN 0.576 nan 8.150 nan 0.000 0.537 556 P HA 0.344 nan 4.420 nan 0.000 0.274 556 P C -0.026 177.444 177.300 0.283 0.000 1.231 556 P CA -0.162 63.094 63.100 0.261 0.000 0.790 556 P CB 0.957 32.806 31.700 0.247 0.000 0.951 557 V N 3.203 123.243 119.914 0.209 0.000 2.488 557 V HA 0.061 4.182 4.120 0.002 0.000 0.277 557 V C 0.524 176.764 176.094 0.243 0.000 1.046 557 V CA 0.331 62.708 62.300 0.129 0.000 0.986 557 V CB -0.386 31.486 31.823 0.082 0.000 0.989 557 V HN 0.640 nan 8.190 nan 0.000 0.475 558 Y N 1.339 121.752 120.300 0.188 0.000 2.588 558 Y HA 0.559 5.111 4.550 0.002 0.000 0.247 558 Y C 0.368 176.502 175.900 0.390 0.000 1.157 558 Y CA -0.884 57.382 58.100 0.276 0.000 1.215 558 Y CB 0.051 38.603 38.460 0.153 0.000 1.245 558 Y HN 0.511 nan 8.280 nan 0.000 0.534 559 E N 2.311 122.461 120.200 -0.083 0.000 2.175 559 E HA 0.175 4.526 4.350 0.002 0.000 0.278 559 E C -0.895 175.316 176.600 -0.648 0.000 0.969 559 E CA -0.904 55.342 56.400 -0.256 0.000 0.796 559 E CB 1.688 31.209 29.700 -0.299 0.000 1.104 559 E HN 0.320 nan 8.360 nan 0.000 0.395 560 Q N 2.625 121.626 119.800 -1.333 0.000 2.361 560 Q HA -0.062 4.280 4.340 0.002 0.000 0.276 560 Q C -0.038 175.555 176.000 -0.678 0.000 1.022 560 Q CA 0.348 55.124 55.803 -1.711 0.000 0.898 560 Q CB 0.314 27.996 28.738 -1.761 0.000 1.246 560 Q HN 0.551 nan 8.270 nan 0.000 0.410 561 N N -0.450 117.996 118.700 -0.423 0.000 2.955 561 N HA -0.230 4.511 4.740 0.002 0.000 0.230 561 N C -0.834 174.590 175.510 -0.143 0.000 0.891 561 N CA 1.174 54.105 53.050 -0.199 0.000 1.002 561 N CB -1.542 36.842 38.487 -0.172 0.000 1.063 561 N HN 0.658 nan 8.380 nan 0.000 0.601 562 A N 0.614 123.329 122.820 -0.174 0.000 2.445 562 A HA 0.385 4.706 4.320 0.002 0.000 0.242 562 A C 1.171 178.734 177.584 -0.035 0.000 1.075 562 A CA 0.342 52.320 52.037 -0.097 0.000 0.777 562 A CB 0.323 19.248 19.000 -0.125 0.000 1.013 562 A HN 0.317 nan 8.150 nan 0.000 0.493 563 R N 0.530 121.035 120.500 0.010 0.000 2.543 563 R HA 0.356 4.697 4.340 0.002 0.000 0.323 563 R C 0.582 176.903 176.300 0.036 0.000 1.002 563 R CA 0.562 56.681 56.100 0.032 0.000 1.106 563 R CB 0.759 31.085 30.300 0.043 0.000 1.280 563 R HN 1.007 nan 8.270 nan 0.000 0.549 564 G N 0.492 109.283 108.800 -0.016 0.000 2.340 564 G HA2 0.331 4.293 3.960 0.002 0.000 0.299 564 G HA3 0.331 4.293 3.960 0.002 0.000 0.299 564 G C -1.744 172.911 174.900 -0.409 0.000 1.291 564 G CA -1.002 43.937 45.100 -0.269 0.000 0.841 564 G HN 0.175 nan 8.290 nan 0.000 0.500 565 R N -1.804 118.199 120.500 -0.829 0.000 2.712 565 R HA 0.612 4.953 4.340 0.002 0.000 0.272 565 R C -1.676 174.270 176.300 -0.591 0.000 1.032 565 R CA -1.095 54.694 56.100 -0.520 0.000 0.874 565 R CB 0.694 30.864 30.300 -0.217 0.000 1.256 565 R HN 0.480 nan 8.270 nan 0.000 0.468 566 Y N 0.456 120.749 120.300 -0.012 0.000 2.304 566 Y HA 0.469 5.020 4.550 0.002 0.000 0.327 566 Y C 0.685 176.594 175.900 0.015 0.000 1.209 566 Y CA -0.132 58.005 58.100 0.062 0.000 1.299 566 Y CB 1.588 40.124 38.460 0.128 0.000 1.249 566 Y HN 0.517 nan 8.280 nan 0.000 0.519 567 V N -0.028 119.987 119.914 0.168 0.000 3.114 567 V HA 0.571 4.693 4.120 0.002 0.000 0.308 567 V C -1.898 174.254 176.094 0.097 0.000 1.168 567 V CA -1.330 61.009 62.300 0.065 0.000 1.015 567 V CB 2.050 33.806 31.823 -0.112 0.000 1.050 567 V HN 0.622 nan 8.190 nan 0.000 0.433 568 Y N 3.018 123.268 120.300 -0.084 0.000 2.341 568 Y HA 0.823 5.374 4.550 0.002 0.000 0.338 568 Y C -1.341 174.454 175.900 -0.174 0.000 0.965 568 Y CA -1.285 56.755 58.100 -0.100 0.000 1.108 568 Y CB 1.904 40.314 38.460 -0.084 0.000 1.180 568 Y HN 0.707 nan 8.280 nan 0.000 0.458 569 L N 9.673 130.371 121.223 -0.875 0.000 2.276 569 L HA 0.468 4.809 4.340 0.002 0.000 0.286 569 L C -1.979 174.287 176.870 -1.007 0.000 1.024 569 L CA -2.156 52.239 54.840 -0.742 0.000 0.826 569 L CB 1.572 43.400 42.059 -0.385 0.000 1.211 569 L HN 0.553 nan 8.230 nan 0.000 0.422 570 P HA -0.036 nan 4.420 nan 0.000 0.233 570 P C -0.571 176.398 177.300 -0.553 0.000 1.167 570 P CA 0.551 63.171 63.100 -0.800 0.000 0.770 570 P CB 0.332 31.207 31.700 -1.375 0.000 0.837 571 E N -2.161 117.788 120.200 -0.418 0.000 2.423 571 E HA 0.257 4.609 4.350 0.002 0.000 0.280 571 E C -1.038 175.499 176.600 -0.106 0.000 1.030 571 E CA -1.116 55.179 56.400 -0.176 0.000 0.812 571 E CB 0.799 30.473 29.700 -0.042 0.000 1.313 571 E HN -0.175 nan 8.360 nan 0.000 0.456 572 E N 1.712 121.890 120.200 -0.036 0.000 2.452 572 E HA 0.057 4.408 4.350 0.002 0.000 0.261 572 E C -0.783 175.878 176.600 0.103 0.000 0.987 572 E CA 0.663 57.080 56.400 0.030 0.000 0.926 572 E CB 0.554 30.278 29.700 0.040 0.000 0.934 572 E HN 0.391 nan 8.360 nan 0.000 0.452 573 M N 2.880 122.584 119.600 0.175 0.000 2.622 573 M HA 0.328 4.810 4.480 0.002 0.000 0.276 573 M C -0.982 175.488 176.300 0.283 0.000 1.265 573 M CA -0.884 54.585 55.300 0.281 0.000 0.850 573 M CB 2.423 35.162 32.600 0.232 0.000 1.720 573 M HN 0.237 nan 8.290 nan 0.000 0.465 574 K N 1.571 122.102 120.400 0.217 0.000 2.281 574 K HA 0.345 4.666 4.320 0.002 0.000 0.272 574 K C -1.148 175.517 176.600 0.108 0.000 1.048 574 K CA -0.386 55.928 56.287 0.046 0.000 0.898 574 K CB 0.936 33.304 32.500 -0.220 0.000 1.128 574 K HN 0.396 nan 8.250 nan 0.000 0.460 575 F N 5.751 125.655 119.950 -0.076 0.000 2.502 575 F HA 0.130 4.658 4.527 0.002 0.000 0.371 575 F C -0.343 175.262 175.800 -0.325 0.000 1.083 575 F CA -0.630 57.172 58.000 -0.330 0.000 1.174 575 F CB 0.150 39.004 39.000 -0.244 0.000 1.096 575 F HN 0.303 nan 8.300 nan 0.000 0.545 576 I N 6.650 126.863 120.570 -0.596 0.000 2.474 576 I HA 0.370 4.542 4.170 0.002 0.000 0.294 576 I C -0.531 175.160 176.117 -0.710 0.000 1.005 576 I CA -0.889 60.059 61.300 -0.587 0.000 1.113 576 I CB 1.939 39.723 38.000 -0.360 0.000 1.289 576 I HN 0.504 nan 8.210 nan 0.000 0.436 577 K N 5.340 125.352 120.400 -0.646 0.000 2.443 577 K HA 0.460 4.782 4.320 0.002 0.000 0.252 577 K C -1.220 175.174 176.600 -0.344 0.000 0.933 577 K CA -0.593 55.434 56.287 -0.433 0.000 0.792 577 K CB 2.229 34.463 32.500 -0.443 0.000 1.185 577 K HN 0.196 nan 8.250 nan 0.000 0.425 578 F N 3.809 123.683 119.950 -0.127 0.000 2.487 578 F HA 0.107 4.635 4.527 0.002 0.000 0.364 578 F C 0.713 176.465 175.800 -0.080 0.000 1.126 578 F CA -0.049 57.901 58.000 -0.085 0.000 1.135 578 F CB 0.288 39.260 39.000 -0.048 0.000 1.127 578 F HN 0.212 nan 8.300 nan 0.000 0.559 579 M N 5.686 125.295 119.600 0.016 0.000 2.247 579 M HA 0.209 4.690 4.480 0.002 0.000 0.326 579 M C -1.346 174.970 176.300 0.028 0.000 1.134 579 M CA -2.571 52.725 55.300 -0.006 0.000 1.136 579 M CB 0.490 33.057 32.600 -0.054 0.000 1.454 579 M HN 0.165 nan 8.290 nan 0.000 0.467 580 P HA -0.084 nan 4.420 nan 0.000 0.225 580 P C 0.352 177.658 177.300 0.011 0.000 1.156 580 P CA 0.987 64.093 63.100 0.010 0.000 0.787 580 P CB -0.033 31.664 31.700 -0.005 0.000 0.802 581 D N -1.551 118.851 120.400 0.003 0.000 2.349 581 D HA 0.087 4.729 4.640 0.002 0.000 0.224 581 D C 1.448 177.752 176.300 0.007 0.000 1.029 581 D CA 0.653 54.653 54.000 0.000 0.000 0.879 581 D CB -0.876 39.918 40.800 -0.010 0.000 0.906 581 D HN 0.218 nan 8.370 nan 0.000 0.528 582 G N -0.174 108.641 108.800 0.024 0.000 2.176 582 G HA2 -0.257 3.705 3.960 0.002 0.000 0.232 582 G HA3 -0.257 3.705 3.960 0.002 0.000 0.232 582 G C 0.423 175.339 174.900 0.026 0.000 0.986 582 G CA 0.353 45.479 45.100 0.043 0.000 0.643 582 G HN 0.819 nan 8.290 nan 0.000 0.522 583 S N -0.397 115.294 115.700 -0.015 0.000 2.686 583 S HA 0.803 5.275 4.470 0.002 0.000 0.270 583 S C 0.105 174.622 174.600 -0.138 0.000 1.194 583 S CA -0.514 57.647 58.200 -0.066 0.000 0.990 583 S CB 1.586 64.743 63.200 -0.071 0.000 1.029 583 S HN 0.737 nan 8.310 nan 0.000 0.560 584 I N 2.160 122.604 120.570 -0.211 0.000 2.493 584 I HA 0.238 4.409 4.170 0.002 0.000 0.279 584 I C 0.139 176.072 176.117 -0.308 0.000 1.045 584 I CA -0.494 60.590 61.300 -0.361 0.000 1.106 584 I CB 1.723 39.443 38.000 -0.468 0.000 1.216 584 I HN 0.815 nan 8.210 nan 0.000 0.459 585 S N 5.059 120.572 115.700 -0.311 0.000 2.580 585 S HA 0.481 4.952 4.470 0.002 0.000 0.274 585 S C -0.313 174.082 174.600 -0.342 0.000 1.329 585 S CA -0.334 57.697 58.200 -0.282 0.000 1.036 585 S CB 1.362 64.402 63.200 -0.267 0.000 0.919 585 S HN 0.609 nan 8.310 nan 0.000 0.515 586 E N 0.601 120.642 120.200 -0.265 0.000 2.314 586 E HA 0.470 4.822 4.350 0.002 0.000 0.272 586 E C -1.308 175.193 176.600 -0.164 0.000 0.884 586 E CA -0.605 55.647 56.400 -0.247 0.000 0.753 586 E CB 2.188 31.758 29.700 -0.216 0.000 1.213 586 E HN 0.802 nan 8.360 nan 0.000 0.432 587 E N 2.100 122.232 120.200 -0.113 0.000 2.291 587 E HA 0.252 4.604 4.350 0.002 0.000 0.276 587 E C -1.492 175.118 176.600 0.016 0.000 0.896 587 E CA -0.613 55.775 56.400 -0.020 0.000 0.774 587 E CB 2.012 31.749 29.700 0.060 0.000 1.227 587 E HN 0.214 nan 8.360 nan 0.000 0.413 588 V N 5.675 125.593 119.914 0.007 0.000 2.455 588 V HA 0.248 4.369 4.120 0.002 0.000 0.273 588 V C 0.098 176.215 176.094 0.038 0.000 1.045 588 V CA 0.049 62.374 62.300 0.042 0.000 0.976 588 V CB 0.538 32.397 31.823 0.060 0.000 0.993 588 V HN 0.562 nan 8.190 nan 0.000 0.475 589 L N 5.146 126.386 121.223 0.028 0.000 2.346 589 L HA 0.570 4.911 4.340 0.002 0.000 0.276 589 L C 0.317 177.183 176.870 -0.007 0.000 1.006 589 L CA -0.583 54.191 54.840 -0.111 0.000 0.817 589 L CB 2.121 43.957 42.059 -0.372 0.000 1.272 589 L HN 0.598 nan 8.230 nan 0.000 0.421 590 E N 1.570 121.819 120.200 0.082 0.000 2.351 590 E HA 0.173 4.525 4.350 0.002 0.000 0.255 590 E C -0.496 176.188 176.600 0.140 0.000 1.188 590 E CA -0.835 55.635 56.400 0.117 0.000 0.940 590 E CB 1.059 30.825 29.700 0.109 0.000 1.094 590 E HN 0.332 nan 8.360 nan 0.000 0.474 591 K N 0.381 120.789 120.400 0.014 0.000 2.489 591 K HA 0.177 4.498 4.320 0.002 0.000 0.278 591 K C -0.003 176.530 176.600 -0.112 0.000 1.000 591 K CA 0.863 57.087 56.287 -0.105 0.000 1.012 591 K CB -0.029 32.405 32.500 -0.111 0.000 0.903 591 K HN 0.673 nan 8.250 nan 0.000 0.485 592 G N 1.112 109.736 108.800 -0.293 0.000 2.334 592 G HA2 -0.070 3.891 3.960 0.002 0.000 0.315 592 G HA3 -0.070 3.891 3.960 0.002 0.000 0.315 592 G C -1.308 173.433 174.900 -0.266 0.000 1.284 592 G CA -0.593 44.378 45.100 -0.215 0.000 0.985 592 G HN 0.518 nan 8.290 nan 0.000 0.504 593 V N 2.061 121.883 119.914 -0.154 0.000 2.583 593 V HA 0.600 4.721 4.120 0.002 0.000 0.287 593 V C 0.202 176.059 176.094 -0.395 0.000 1.051 593 V CA -0.099 62.144 62.300 -0.095 0.000 1.010 593 V CB 1.105 32.934 31.823 0.010 0.000 0.988 593 V HN 0.765 nan 8.190 nan 0.000 0.478 594 H N 2.499 121.623 119.070 0.090 0.000 3.012 594 H HA 0.344 4.901 4.556 0.002 0.000 0.367 594 H C -1.608 173.813 175.328 0.156 0.000 1.211 594 H CA -0.556 55.544 56.048 0.087 0.000 1.139 594 H CB 2.265 32.021 29.762 -0.010 0.000 1.838 594 H HN 0.634 nan 8.280 nan 0.000 0.550 595 Y N 2.222 122.615 120.300 0.155 0.000 2.331 595 Y HA 0.393 4.944 4.550 0.002 0.000 0.338 595 Y C -0.517 175.352 175.900 -0.051 0.000 0.992 595 Y CA -0.664 57.430 58.100 -0.011 0.000 1.121 595 Y CB 0.866 39.264 38.460 -0.103 0.000 1.184 595 Y HN 0.387 nan 8.280 nan 0.000 0.469 596 V N 2.615 122.149 119.914 -0.633 0.000 2.628 596 V HA 0.529 4.650 4.120 0.002 0.000 0.306 596 V C -0.759 175.068 176.094 -0.445 0.000 1.045 596 V CA -0.971 61.040 62.300 -0.481 0.000 0.905 596 V CB 1.814 33.176 31.823 -0.768 0.000 0.997 596 V HN 0.687 nan 8.190 nan 0.000 0.436 597 D N 2.990 123.343 120.400 -0.078 0.000 2.312 597 D HA 0.526 5.167 4.640 0.002 0.000 0.252 597 D C -0.592 175.766 176.300 0.096 0.000 1.150 597 D CA 0.183 54.196 54.000 0.021 0.000 0.870 597 D CB 1.950 42.813 40.800 0.105 0.000 1.153 597 D HN 0.536 nan 8.370 nan 0.000 0.457 598 V N 2.269 122.208 119.914 0.041 0.000 2.498 598 V HA 0.407 4.528 4.120 0.002 0.000 0.283 598 V C 0.430 176.551 176.094 0.045 0.000 1.015 598 V CA -0.923 61.423 62.300 0.076 0.000 0.867 598 V CB 1.362 33.240 31.823 0.091 0.000 1.025 598 V HN 0.670 nan 8.190 nan 0.000 0.441 599 A N 3.297 126.140 122.820 0.037 0.000 2.310 599 A HA 0.538 4.859 4.320 0.002 0.000 0.260 599 A C 1.131 178.729 177.584 0.023 0.000 1.112 599 A CA -0.148 51.904 52.037 0.024 0.000 0.804 599 A CB 0.234 19.242 19.000 0.012 0.000 1.081 599 A HN 0.783 nan 8.150 nan 0.000 0.499 600 L N 0.232 121.463 121.223 0.013 0.000 2.131 600 L HA -0.113 4.229 4.340 0.002 0.000 0.210 600 L C 1.501 178.349 176.870 -0.038 0.000 1.092 600 L CA 2.359 57.201 54.840 0.003 0.000 0.759 600 L CB -0.750 41.305 42.059 -0.007 0.000 0.903 600 L HN 0.879 nan 8.230 nan 0.000 0.435 601 N N -0.986 117.687 118.700 -0.045 0.000 2.320 601 N HA 0.072 4.813 4.740 0.002 0.000 0.237 601 N C -0.634 174.862 175.510 -0.023 0.000 1.129 601 N CA -0.080 52.930 53.050 -0.067 0.000 0.854 601 N CB -0.145 38.297 38.487 -0.076 0.000 1.083 601 N HN 0.370 nan 8.380 nan 0.000 0.504 602 E N -0.280 119.923 120.200 0.005 0.000 2.248 602 E HA 0.434 4.785 4.350 0.002 0.000 0.267 602 E C -1.169 175.474 176.600 0.071 0.000 0.877 602 E CA -1.010 55.408 56.400 0.031 0.000 0.759 602 E CB 2.775 32.482 29.700 0.012 0.000 1.182 602 E HN -0.101 nan 8.360 nan 0.000 0.418 603 V N 4.732 124.718 119.914 0.120 0.000 2.357 603 V HA 0.382 4.504 4.120 0.002 0.000 0.284 603 V C -2.161 174.075 176.094 0.237 0.000 1.018 603 V CA -1.626 60.784 62.300 0.183 0.000 0.841 603 V CB 1.196 33.100 31.823 0.135 0.000 0.991 603 V HN 0.568 nan 8.190 nan 0.000 0.437 604 P HA 0.776 nan 4.420 nan 0.000 0.287 604 P C -1.516 175.919 177.300 0.225 0.000 1.279 604 P CA -0.669 62.526 63.100 0.159 0.000 0.867 604 P CB 2.454 34.299 31.700 0.242 0.000 1.127 605 L N -1.774 119.458 121.223 0.015 0.000 2.869 605 L HA 0.642 4.983 4.340 0.002 0.000 0.265 605 L C -1.780 174.982 176.870 -0.181 0.000 1.011 605 L CA -0.985 53.873 54.840 0.029 0.000 0.913 605 L CB 0.609 42.780 42.059 0.187 0.000 1.490 605 L HN 0.124 nan 8.230 nan 0.000 0.410 606 F N 1.292 121.312 119.950 0.117 0.000 2.495 606 F HA 0.761 5.289 4.527 0.002 0.000 0.327 606 F C -0.013 175.828 175.800 0.067 0.000 1.103 606 F CA -0.624 57.444 58.000 0.113 0.000 0.949 606 F CB 1.956 41.014 39.000 0.097 0.000 1.142 606 F HN 0.342 nan 8.300 nan 0.000 0.457 607 I N 3.315 124.010 120.570 0.208 0.000 2.336 607 I HA 0.381 4.552 4.170 0.002 0.000 0.292 607 I C 0.086 176.360 176.117 0.261 0.000 0.991 607 I CA -0.727 60.664 61.300 0.151 0.000 1.227 607 I CB 1.283 39.301 38.000 0.030 0.000 1.366 607 I HN 0.547 nan 8.210 nan 0.000 0.466 608 R N 3.266 123.909 120.500 0.239 0.000 2.694 608 R HA 0.139 4.481 4.340 0.002 0.000 0.268 608 R C 0.372 176.826 176.300 0.256 0.000 1.061 608 R CA -0.270 55.971 56.100 0.235 0.000 1.133 608 R CB 0.583 30.990 30.300 0.178 0.000 1.020 608 R HN 0.622 nan 8.270 nan 0.000 0.475 609 S N 0.882 116.618 115.700 0.060 0.000 2.563 609 S HA 0.112 4.583 4.470 0.002 0.000 0.294 609 S C 1.105 175.531 174.600 -0.289 0.000 1.279 609 S CA 0.940 58.886 58.200 -0.424 0.000 1.069 609 S CB 0.012 63.019 63.200 -0.321 0.000 0.828 609 S HN 0.845 nan 8.310 nan 0.000 0.497 610 G N 3.789 112.317 108.800 -0.454 0.000 2.160 610 G HA2 -0.180 3.781 3.960 0.002 0.000 0.251 610 G HA3 -0.180 3.781 3.960 0.002 0.000 0.251 610 G C -0.085 174.862 174.900 0.078 0.000 1.008 610 G CA 0.377 45.414 45.100 -0.106 0.000 0.724 610 G HN 0.692 nan 8.290 nan 0.000 0.514 611 K N -0.872 119.647 120.400 0.198 0.000 2.433 611 K HA 0.832 5.153 4.320 0.002 0.000 0.252 611 K C 0.259 176.974 176.600 0.191 0.000 1.015 611 K CA 0.043 56.445 56.287 0.191 0.000 0.860 611 K CB 2.069 34.671 32.500 0.169 0.000 1.359 611 K HN 0.822 nan 8.250 nan 0.000 0.452 612 C N -1.170 118.200 119.300 0.117 0.000 3.323 612 C HA 0.865 5.327 4.460 0.002 0.000 0.324 612 C C -0.754 174.154 174.990 -0.137 0.000 1.428 612 C CA -1.062 57.963 59.018 0.012 0.000 1.368 612 C CB 0.612 28.376 27.740 0.040 0.000 1.731 612 C HN 0.899 nan 8.230 nan 0.000 0.455 613 I N -1.883 118.525 120.570 -0.270 0.000 2.802 613 I HA 0.816 4.987 4.170 0.002 0.000 0.298 613 I C -3.027 172.896 176.117 -0.323 0.000 1.176 613 I CA -2.309 58.656 61.300 -0.557 0.000 1.025 613 I CB 2.539 39.988 38.000 -0.917 0.000 1.243 613 I HN 0.540 nan 8.210 nan 0.000 0.424 614 P HA 0.284 nan 4.420 nan 0.000 0.284 614 P C -0.938 176.355 177.300 -0.011 0.000 1.253 614 P CA -0.317 62.750 63.100 -0.055 0.000 0.800 614 P CB 2.037 33.772 31.700 0.058 0.000 0.961 615 V N 2.386 122.320 119.914 0.034 0.000 2.482 615 V HA 0.507 4.628 4.120 0.002 0.000 0.295 615 V C 0.504 176.660 176.094 0.103 0.000 1.026 615 V CA -0.827 61.534 62.300 0.101 0.000 0.856 615 V CB 1.350 33.249 31.823 0.127 0.000 1.001 615 V HN 0.762 nan 8.190 nan 0.000 0.424 616 A N 4.159 127.049 122.820 0.116 0.000 2.287 616 A HA 0.693 5.014 4.320 0.002 0.000 0.273 616 A C 0.253 177.899 177.584 0.103 0.000 1.091 616 A CA -0.415 51.682 52.037 0.099 0.000 0.817 616 A CB 0.315 19.374 19.000 0.099 0.000 1.069 616 A HN 0.732 nan 8.150 nan 0.000 0.492 617 E N 0.194 120.442 120.200 0.080 0.000 2.390 617 E HA 0.386 4.738 4.350 0.002 0.000 0.261 617 E C 0.455 177.102 176.600 0.079 0.000 1.076 617 E CA 0.247 56.691 56.400 0.073 0.000 0.905 617 E CB 0.659 30.388 29.700 0.048 0.000 0.984 617 E HN 0.719 nan 8.360 nan 0.000 0.427 618 A N 1.202 124.064 122.820 0.071 0.000 2.546 618 A HA 0.426 4.747 4.320 0.002 0.000 0.243 618 A C 0.030 177.637 177.584 0.039 0.000 1.063 618 A CA 0.584 52.658 52.037 0.062 0.000 0.757 618 A CB -0.020 19.003 19.000 0.039 0.000 0.991 618 A HN 0.543 nan 8.150 nan 0.000 0.503 619 A N 1.761 124.604 122.820 0.039 0.000 2.479 619 A HA 0.689 5.010 4.320 0.002 0.000 0.296 619 A C 0.318 177.799 177.584 -0.172 0.000 1.121 619 A CA -0.498 51.533 52.037 -0.011 0.000 0.743 619 A CB 0.917 19.946 19.000 0.047 0.000 1.323 619 A HN 0.796 nan 8.150 nan 0.000 0.415 620 E N -0.806 119.298 120.200 -0.160 0.000 2.447 620 E HA 0.118 4.469 4.350 0.002 0.000 0.195 620 E C 0.167 176.583 176.600 -0.306 0.000 1.028 620 E CA 0.723 56.972 56.400 -0.252 0.000 0.876 620 E CB 0.179 29.834 29.700 -0.074 0.000 0.885 620 E HN 0.753 nan 8.360 nan 0.000 0.500 621 C N -3.707 115.508 119.300 -0.142 0.000 3.291 621 C HA 0.396 4.858 4.460 0.002 0.000 0.316 621 C C 1.718 176.849 174.990 0.235 0.000 1.391 621 C CA -0.986 58.065 59.018 0.056 0.000 1.394 621 C CB 0.753 28.511 27.740 0.031 0.000 1.744 621 C HN -0.052 nan 8.230 nan 0.000 0.461 622 V N 1.627 121.732 119.914 0.318 0.000 2.295 622 V HA -0.192 3.930 4.120 0.002 0.000 0.246 622 V C 2.802 178.955 176.094 0.098 0.000 1.049 622 V CA 2.562 64.992 62.300 0.216 0.000 1.024 622 V CB -0.801 31.103 31.823 0.135 0.000 0.648 622 V HN 1.059 nan 8.190 nan 0.000 0.447 623 K N -0.145 120.290 120.400 0.059 0.000 2.218 623 K HA -0.253 4.069 4.320 0.002 0.000 0.205 623 K C 1.225 177.838 176.600 0.021 0.000 1.046 623 K CA 1.977 58.274 56.287 0.018 0.000 0.933 623 K CB -0.150 32.346 32.500 -0.008 0.000 0.728 623 K HN 0.441 nan 8.250 nan 0.000 0.454 624 D N 0.299 120.722 120.400 0.038 0.000 2.349 624 D HA 0.120 4.761 4.640 0.002 0.000 0.214 624 D C 0.218 176.546 176.300 0.045 0.000 1.063 624 D CA 0.085 54.103 54.000 0.030 0.000 0.847 624 D CB 0.144 40.954 40.800 0.017 0.000 0.933 624 D HN 0.216 nan 8.370 nan 0.000 0.513 625 I N 1.135 121.747 120.570 0.071 0.000 2.648 625 I HA -0.043 4.128 4.170 0.002 0.000 0.284 625 I C 0.513 176.662 176.117 0.054 0.000 1.153 625 I CA 0.046 61.394 61.300 0.081 0.000 1.426 625 I CB 0.530 38.593 38.000 0.106 0.000 1.381 625 I HN -0.239 nan 8.210 nan 0.000 0.571 626 D N 4.130 124.562 120.400 0.053 0.000 2.412 626 D HA 0.147 4.788 4.640 0.002 0.000 0.224 626 D C 0.845 177.174 176.300 0.049 0.000 1.093 626 D CA -0.481 53.544 54.000 0.042 0.000 0.850 626 D CB 0.994 41.815 40.800 0.035 0.000 1.046 626 D HN 0.617 nan 8.370 nan 0.000 0.507 627 T N 0.079 114.661 114.554 0.046 0.000 3.060 627 T HA 0.048 4.399 4.350 0.002 0.000 0.249 627 T C 1.387 176.117 174.700 0.050 0.000 1.079 627 T CA -0.028 62.105 62.100 0.055 0.000 1.013 627 T CB 0.106 69.008 68.868 0.057 0.000 0.975 627 T HN 0.433 nan 8.240 nan 0.000 0.518 628 E N 2.015 122.237 120.200 0.037 0.000 2.051 628 E HA -0.088 4.263 4.350 0.002 0.000 0.192 628 E C -0.135 176.486 176.600 0.035 0.000 0.991 628 E CA 0.766 57.185 56.400 0.032 0.000 0.799 628 E CB 0.154 29.867 29.700 0.023 0.000 0.748 628 E HN 0.379 nan 8.360 nan 0.000 0.449 629 N N 0.854 119.575 118.700 0.035 0.000 2.682 629 N HA 0.198 4.939 4.740 0.002 0.000 0.252 629 N C -0.830 174.703 175.510 0.038 0.000 1.081 629 N CA -0.081 52.989 53.050 0.034 0.000 0.844 629 N CB 1.251 39.752 38.487 0.025 0.000 1.167 629 N HN 0.171 nan 8.380 nan 0.000 0.523 630 M N -0.632 118.996 119.600 0.047 0.000 2.578 630 M HA 0.496 4.977 4.480 0.002 0.000 0.321 630 M C 0.113 176.435 176.300 0.037 0.000 1.182 630 M CA -0.967 54.362 55.300 0.048 0.000 0.965 630 M CB 1.773 34.412 32.600 0.065 0.000 1.694 630 M HN 0.091 nan 8.290 nan 0.000 0.461 631 Q N 1.590 121.405 119.800 0.026 0.000 2.382 631 Q HA 0.623 4.965 4.340 0.002 0.000 0.229 631 Q C -1.404 174.594 176.000 -0.003 0.000 1.006 631 Q CA -0.528 55.278 55.803 0.006 0.000 0.916 631 Q CB 1.008 29.739 28.738 -0.012 0.000 1.235 631 Q HN 0.747 nan 8.270 nan 0.000 0.512 632 L N 2.148 123.363 121.223 -0.014 0.000 2.319 632 L HA 0.451 4.793 4.340 0.002 0.000 0.281 632 L C -0.843 175.992 176.870 -0.059 0.000 1.005 632 L CA -0.843 53.981 54.840 -0.025 0.000 0.828 632 L CB 1.334 43.399 42.059 0.009 0.000 1.227 632 L HN 0.601 nan 8.230 nan 0.000 0.415 633 I N 2.543 123.054 120.570 -0.098 0.000 2.412 633 I HA 0.804 4.976 4.170 0.002 0.000 0.296 633 I C 0.712 176.746 176.117 -0.138 0.000 0.987 633 I CA -0.182 61.037 61.300 -0.135 0.000 1.180 633 I CB 1.100 38.996 38.000 -0.174 0.000 1.340 633 I HN 0.790 nan 8.210 nan 0.000 0.455 634 G N 5.418 114.115 108.800 -0.171 0.000 2.236 634 G HA2 -0.087 3.874 3.960 0.002 0.000 0.231 634 G HA3 -0.087 3.874 3.960 0.002 0.000 0.231 634 G C -1.624 173.130 174.900 -0.243 0.000 1.334 634 G CA -0.803 44.178 45.100 -0.198 0.000 1.137 634 G HN 0.325 nan 8.290 nan 0.000 0.482 635 Y N 1.541 121.841 120.300 -0.001 0.000 2.316 635 Y HA 0.595 5.146 4.550 0.002 0.000 0.331 635 Y C 0.861 176.768 175.900 0.012 0.000 1.083 635 Y CA -0.086 58.020 58.100 0.009 0.000 1.206 635 Y CB 1.436 39.909 38.460 0.021 0.000 1.195 635 Y HN 0.586 nan 8.280 nan 0.000 0.497 636 E N 1.283 121.573 120.200 0.150 0.000 2.442 636 E HA 0.248 4.599 4.350 0.002 0.000 0.262 636 E C 1.060 177.722 176.600 0.103 0.000 1.004 636 E CA 1.455 57.910 56.400 0.093 0.000 0.928 636 E CB 0.281 30.022 29.700 0.068 0.000 0.937 636 E HN 0.792 nan 8.360 nan 0.000 0.446 637 G N 2.555 111.399 108.800 0.074 0.000 2.205 637 G HA2 -0.306 3.655 3.960 0.002 0.000 0.261 637 G HA3 -0.306 3.655 3.960 0.002 0.000 0.261 637 G C 0.352 175.295 174.900 0.072 0.000 0.980 637 G CA 0.641 45.779 45.100 0.065 0.000 0.632 637 G HN 0.914 nan 8.290 nan 0.000 0.533 638 S N -0.251 115.506 115.700 0.095 0.000 2.669 638 S HA 0.814 5.285 4.470 0.002 0.000 0.270 638 S C 0.191 174.854 174.600 0.106 0.000 1.225 638 S CA 0.718 58.981 58.200 0.104 0.000 0.991 638 S CB 2.050 65.335 63.200 0.141 0.000 0.987 638 S HN 1.928 nan 8.310 nan 0.000 0.552 639 S N 0.280 116.051 115.700 0.118 0.000 2.595 639 S HA 0.676 5.147 4.470 0.002 0.000 0.281 639 S C -1.496 173.224 174.600 0.200 0.000 1.117 639 S CA -0.799 57.480 58.200 0.133 0.000 0.873 639 S CB 1.237 64.489 63.200 0.086 0.000 1.108 639 S HN 1.015 nan 8.310 nan 0.000 0.477 640 Y N 0.636 120.983 120.300 0.078 0.000 2.421 640 Y HA 0.560 5.111 4.550 0.002 0.000 0.339 640 Y C -0.850 175.119 175.900 0.115 0.000 0.996 640 Y CA -0.405 57.757 58.100 0.103 0.000 1.046 640 Y CB 2.210 40.738 38.460 0.114 0.000 1.226 640 Y HN 0.795 nan 8.280 nan 0.000 0.445 641 T N 8.025 122.131 114.554 -0.746 0.000 2.811 641 T HA 0.254 4.605 4.350 0.002 0.000 0.309 641 T C -0.802 173.551 174.700 -0.579 0.000 1.005 641 T CA -0.301 61.530 62.100 -0.449 0.000 0.955 641 T CB -0.135 68.618 68.868 -0.191 0.000 0.970 641 T HN 0.538 nan 8.240 nan 0.000 0.496 642 L N 5.557 126.680 121.223 -0.167 0.000 2.315 642 L HA 0.399 4.740 4.340 0.002 0.000 0.283 642 L C -0.545 176.348 176.870 0.039 0.000 1.089 642 L CA -0.613 54.284 54.840 0.096 0.000 0.833 642 L CB -0.041 42.164 42.059 0.243 0.000 1.170 642 L HN 0.604 nan 8.230 nan 0.000 0.442 643 Y N 5.218 125.454 120.300 -0.107 0.000 2.316 643 Y HA 0.468 5.019 4.550 0.002 0.000 0.331 643 Y C -0.190 175.601 175.900 -0.181 0.000 1.083 643 Y CA -0.040 57.868 58.100 -0.319 0.000 1.206 643 Y CB 0.701 38.911 38.460 -0.417 0.000 1.195 643 Y HN 0.761 nan 8.280 nan 0.000 0.497 644 E N 5.074 124.935 120.200 -0.565 0.000 2.321 644 E HA 0.253 4.604 4.350 0.002 0.000 0.281 644 E C -1.947 174.435 176.600 -0.364 0.000 0.910 644 E CA -0.737 55.549 56.400 -0.190 0.000 0.770 644 E CB 1.344 31.013 29.700 -0.052 0.000 1.225 644 E HN 0.820 nan 8.360 nan 0.000 0.417 645 D N 1.590 121.969 120.400 -0.036 0.000 2.837 645 D HA 0.143 4.784 4.640 0.002 0.000 0.294 645 D C 0.454 176.791 176.300 0.061 0.000 1.158 645 D CA -0.370 53.616 54.000 -0.023 0.000 1.073 645 D CB -0.052 40.785 40.800 0.062 0.000 1.419 645 D HN 0.401 nan 8.370 nan 0.000 0.584 646 D N -1.607 118.828 120.400 0.057 0.000 2.363 646 D HA 0.131 4.772 4.640 0.002 0.000 0.220 646 D C 1.647 177.943 176.300 -0.007 0.000 0.994 646 D CA 0.973 54.991 54.000 0.029 0.000 0.890 646 D CB -0.426 40.409 40.800 0.058 0.000 0.906 646 D HN 0.894 nan 8.370 nan 0.000 0.530 647 G N 0.157 108.985 108.800 0.048 0.000 2.184 647 G HA2 -0.317 3.645 3.960 0.002 0.000 0.264 647 G HA3 -0.317 3.645 3.960 0.002 0.000 0.264 647 G C 0.894 175.742 174.900 -0.088 0.000 0.975 647 G CA 0.689 45.773 45.100 -0.028 0.000 0.642 647 G HN 0.487 nan 8.290 nan 0.000 0.536 648 I N -1.347 119.139 120.570 -0.141 0.000 3.873 648 I HA 0.261 4.432 4.170 0.002 0.000 0.284 648 I C 1.486 177.355 176.117 -0.414 0.000 1.186 648 I CA -0.057 61.042 61.300 -0.336 0.000 1.362 648 I CB 0.106 37.788 38.000 -0.530 0.000 1.432 648 I HN 0.208 nan 8.210 nan 0.000 0.454 649 H N 0.578 119.610 119.070 -0.063 0.000 2.748 649 H HA 0.341 4.898 4.556 0.002 0.000 0.288 649 H C -0.117 175.096 175.328 -0.193 0.000 1.539 649 H CA -0.530 55.453 56.048 -0.108 0.000 1.577 649 H CB 0.659 30.356 29.762 -0.108 0.000 1.721 649 H HN -0.166 nan 8.280 nan 0.000 0.869 650 K N 0.452 120.743 120.400 -0.183 0.000 2.896 650 K HA 0.096 4.417 4.320 0.002 0.000 0.210 650 K C -0.736 175.346 176.600 -0.864 0.000 1.116 650 K CA -0.077 55.764 56.287 -0.742 0.000 1.050 650 K CB 0.479 32.760 32.500 -0.365 0.000 0.812 650 K HN 0.378 nan 8.250 nan 0.000 0.462 651 D N 0.308 120.413 120.400 -0.493 0.000 2.522 651 D HA 0.050 4.691 4.640 0.002 0.000 0.218 651 D C 0.094 176.308 176.300 -0.143 0.000 1.149 651 D CA -0.230 53.610 54.000 -0.266 0.000 0.981 651 D CB 0.260 40.990 40.800 -0.117 0.000 1.041 651 D HN 0.119 nan 8.370 nan 0.000 0.518 652 Y N 0.519 120.877 120.300 0.097 0.000 2.476 652 Y HA 0.111 4.662 4.550 0.002 0.000 0.283 652 Y C 2.003 178.017 175.900 0.190 0.000 1.109 652 Y CA -0.140 58.056 58.100 0.160 0.000 1.246 652 Y CB 0.027 38.551 38.460 0.107 0.000 1.068 652 Y HN 0.321 nan 8.280 nan 0.000 0.552 653 D N 0.637 121.192 120.400 0.259 0.000 2.084 653 D HA -0.093 4.549 4.640 0.002 0.000 0.196 653 D C 0.300 176.732 176.300 0.220 0.000 0.985 653 D CA 0.857 54.989 54.000 0.221 0.000 0.826 653 D CB 0.021 40.898 40.800 0.127 0.000 0.978 653 D HN 0.061 nan 8.370 nan 0.000 0.456 654 K N 1.986 122.465 120.400 0.132 0.000 2.475 654 K HA -0.205 4.116 4.320 0.002 0.000 0.259 654 K C 1.215 177.906 176.600 0.152 0.000 1.029 654 K CA 0.435 56.778 56.287 0.093 0.000 1.137 654 K CB 0.036 32.556 32.500 0.033 0.000 0.774 654 K HN 0.439 nan 8.250 nan 0.000 0.475 655 K N 1.965 122.435 120.400 0.116 0.000 2.209 655 K HA -0.170 4.152 4.320 0.002 0.000 0.204 655 K C 0.804 177.483 176.600 0.133 0.000 1.048 655 K CA 1.412 57.783 56.287 0.139 0.000 0.940 655 K CB 0.048 32.580 32.500 0.053 0.000 0.729 655 K HN 0.331 nan 8.250 nan 0.000 0.451 656 E N 1.177 121.408 120.200 0.051 0.000 2.333 656 E HA -0.083 4.268 4.350 0.002 0.000 0.198 656 E C 1.157 177.709 176.600 -0.080 0.000 1.007 656 E CA 0.720 57.118 56.400 -0.004 0.000 0.845 656 E CB -0.114 29.574 29.700 -0.021 0.000 0.766 656 E HN 0.393 nan 8.360 nan 0.000 0.507 657 N N -0.384 118.222 118.700 -0.156 0.000 2.494 657 N HA -0.069 4.672 4.740 0.002 0.000 0.182 657 N C -0.542 174.543 175.510 -0.708 0.000 1.076 657 N CA 0.568 53.282 53.050 -0.560 0.000 0.908 657 N CB 0.155 38.093 38.487 -0.915 0.000 0.967 657 N HN 0.244 nan 8.380 nan 0.000 0.449 658 Y N 0.684 120.879 120.300 -0.175 0.000 2.352 658 Y HA 0.421 4.973 4.550 0.002 0.000 0.339 658 Y C 0.445 176.306 175.900 -0.065 0.000 0.992 658 Y CA -1.175 56.863 58.100 -0.103 0.000 1.100 658 Y CB 1.342 39.772 38.460 -0.050 0.000 1.192 658 Y HN -0.147 nan 8.280 nan 0.000 0.458 659 R N 0.877 121.424 120.500 0.077 0.000 2.686 659 R HA 0.799 5.141 4.340 0.002 0.000 0.283 659 R C -1.976 174.360 176.300 0.060 0.000 0.978 659 R CA -1.082 55.056 56.100 0.063 0.000 0.897 659 R CB 1.530 31.855 30.300 0.042 0.000 1.192 659 R HN 0.389 nan 8.270 nan 0.000 0.457 660 V N 4.483 124.427 119.914 0.049 0.000 2.385 660 V HA 0.251 4.372 4.120 0.002 0.000 0.269 660 V C 0.148 176.282 176.094 0.067 0.000 1.043 660 V CA -0.462 61.863 62.300 0.042 0.000 0.906 660 V CB 0.907 32.747 31.823 0.028 0.000 0.995 660 V HN 0.536 nan 8.190 nan 0.000 0.467 661 L N 4.817 126.102 121.223 0.105 0.000 2.322 661 L HA 0.646 4.987 4.340 0.002 0.000 0.279 661 L C 0.132 177.074 176.870 0.119 0.000 1.036 661 L CA -0.191 54.725 54.840 0.127 0.000 0.807 661 L CB 1.794 43.967 42.059 0.191 0.000 1.226 661 L HN 0.533 nan 8.230 nan 0.000 0.433 662 T N 2.108 116.716 114.554 0.090 0.000 2.879 662 T HA 0.275 4.626 4.350 0.002 0.000 0.290 662 T C -0.206 174.533 174.700 0.065 0.000 0.993 662 T CA -0.701 61.445 62.100 0.078 0.000 0.975 662 T CB 2.157 71.059 68.868 0.058 0.000 0.981 662 T HN 0.441 nan 8.240 nan 0.000 0.439 663 K N 0.000 120.440 120.400 0.067 0.000 2.780 663 K HA 0.000 4.321 4.320 0.002 0.000 0.191 663 K CA 0.000 56.316 56.287 0.048 0.000 0.838 663 K CB 0.000 32.528 32.500 0.047 0.000 1.064 663 K HN 0.000 nan 8.250 nan 0.000 0.543