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 3m6d_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 AXXXXXXXXX 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 0.000 177.592 177.584 0.014 0.000 1.274 0 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 0 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 1 M N -0.533 119.079 119.600 0.020 0.000 2.363 1 M HA 0.512 5.500 4.480 0.845 0.000 0.243 1 M C -0.094 176.245 176.300 0.065 0.000 1.364 1 M CA 1.051 56.375 55.300 0.040 0.000 1.104 1 M CB 0.301 32.916 32.600 0.026 0.000 1.570 1 M HN 0.282 nan 8.290 nan 0.000 0.564 2 I N 0.648 121.251 120.570 0.056 0.000 2.686 2 I HA 0.434 5.111 4.170 0.845 0.000 0.295 2 I C -0.732 175.413 176.117 0.047 0.000 1.114 2 I CA -0.691 60.664 61.300 0.091 0.000 1.038 2 I CB 2.813 40.886 38.000 0.122 0.000 1.238 2 I HN 0.040 nan 8.210 nan 0.000 0.420 3 R N 3.104 123.632 120.500 0.047 0.000 2.771 3 R HA 0.540 5.387 4.340 0.845 0.000 0.274 3 R C -1.187 175.034 176.300 -0.132 0.000 0.987 3 R CA -1.013 55.017 56.100 -0.118 0.000 0.908 3 R CB 3.091 33.235 30.300 -0.260 0.000 1.213 3 R HN 0.486 nan 8.270 nan 0.000 0.468 4 K N 2.093 122.277 120.400 -0.360 0.000 2.292 4 K HA 0.353 5.180 4.320 0.845 0.000 0.257 4 K C -1.554 174.721 176.600 -0.542 0.000 0.940 4 K CA -0.532 55.455 56.287 -0.500 0.000 0.811 4 K CB 1.051 33.182 32.500 -0.614 0.000 1.120 4 K HN 0.508 nan 8.250 nan 0.000 0.428 5 Y N 2.451 122.610 120.300 -0.235 0.000 2.335 5 Y HA 0.362 5.419 4.550 0.845 0.000 0.338 5 Y C 0.109 175.837 175.900 -0.286 0.000 0.977 5 Y CA -0.825 57.161 58.100 -0.191 0.000 1.114 5 Y CB 1.751 40.257 38.460 0.076 0.000 1.182 5 Y HN 0.455 nan 8.280 nan 0.000 0.463 6 R N 3.092 123.417 120.500 -0.292 0.000 2.407 6 R HA 0.519 5.366 4.340 0.845 0.000 0.303 6 R C -1.931 174.104 176.300 -0.442 0.000 0.981 6 R CA -0.584 55.371 56.100 -0.242 0.000 0.905 6 R CB 0.778 30.986 30.300 -0.153 0.000 1.099 6 R HN 0.696 nan 8.270 nan 0.000 0.459 7 Y N 2.571 122.878 120.300 0.011 0.000 2.425 7 Y HA 0.427 5.483 4.550 0.844 0.000 0.344 7 Y C 1.018 176.925 175.900 0.011 0.000 0.969 7 Y CA 0.211 58.324 58.100 0.021 0.000 1.052 7 Y CB 2.262 40.721 38.460 -0.001 0.000 1.215 7 Y HN 0.998 nan 8.280 nan 0.000 0.451 8 G N 1.620 110.521 108.800 0.169 0.000 2.582 8 G HA2 -0.063 4.404 3.960 0.845 0.000 0.288 8 G HA3 -0.063 4.404 3.960 0.845 0.000 0.288 8 G C -0.446 174.504 174.900 0.084 0.000 1.247 8 G CA -0.051 45.120 45.100 0.117 0.000 0.972 8 G HN 1.365 nan 8.290 nan 0.000 0.557 9 A N 1.497 124.371 122.820 0.090 0.000 2.431 9 A HA 0.752 5.579 4.320 0.845 0.000 0.318 9 A C -2.300 175.347 177.584 0.104 0.000 1.330 9 A CA -0.617 51.466 52.037 0.077 0.000 0.804 9 A CB 1.434 20.474 19.000 0.067 0.000 1.135 9 A HN 0.695 nan 8.150 nan 0.000 0.483 10 P HA 0.330 nan 4.420 nan 0.000 0.293 10 P C -0.285 177.102 177.300 0.146 0.000 1.300 10 P CA -0.395 62.794 63.100 0.149 0.000 0.792 10 P CB 0.455 32.240 31.700 0.141 0.000 0.925 11 F N 2.661 122.638 119.950 0.045 0.000 2.646 11 F HA -0.049 4.983 4.527 0.842 0.000 0.363 11 F C 0.898 176.731 175.800 0.056 0.000 1.143 11 F CA 0.993 59.006 58.000 0.022 0.000 1.356 11 F CB 0.324 39.302 39.000 -0.037 0.000 1.055 11 F HN 0.297 nan 8.300 nan 0.000 0.606 12 D N 3.190 123.291 120.400 -0.498 0.000 2.317 12 D HA 0.114 5.261 4.640 0.845 0.000 0.234 12 D C 0.659 176.987 176.300 0.046 0.000 1.112 12 D CA 0.254 54.145 54.000 -0.182 0.000 0.840 12 D CB 1.328 41.960 40.800 -0.279 0.000 1.078 12 D HN 0.720 nan 8.370 nan 0.000 0.486 13 T N -0.292 114.421 114.554 0.265 0.000 3.010 13 T HA 0.109 4.966 4.350 0.845 0.000 0.257 13 T C 0.699 175.668 174.700 0.449 0.000 1.020 13 T CA -0.237 62.099 62.100 0.393 0.000 0.938 13 T CB 0.250 69.353 68.868 0.390 0.000 1.049 13 T HN 0.458 nan 8.240 nan 0.000 0.522 14 E N 0.300 120.692 120.200 0.320 0.000 2.722 14 E HA -0.261 4.596 4.350 0.845 0.000 0.265 14 E C 1.262 178.075 176.600 0.355 0.000 1.081 14 E CA 0.424 57.004 56.400 0.299 0.000 0.781 14 E CB -1.676 28.191 29.700 0.277 0.000 1.372 14 E HN 0.721 nan 8.360 nan 0.000 0.423 15 A N -0.401 122.628 122.820 0.349 0.000 1.842 15 A HA -0.033 4.794 4.320 0.845 0.000 0.217 15 A C 0.779 178.370 177.584 0.012 0.000 1.206 15 A CA 1.733 53.906 52.037 0.227 0.000 0.630 15 A CB -0.225 18.989 19.000 0.357 0.000 0.839 15 A HN 0.194 nan 8.150 nan 0.000 0.447 16 L N -1.148 120.028 121.223 -0.079 0.000 2.334 16 L HA 0.420 5.267 4.340 0.845 0.000 0.277 16 L C 1.436 178.248 176.870 -0.096 0.000 1.075 16 L CA 0.502 55.212 54.840 -0.217 0.000 0.804 16 L CB 0.534 42.373 42.059 -0.367 0.000 1.174 16 L HN 0.396 nan 8.230 nan 0.000 0.438 17 T N -2.682 111.799 114.554 -0.122 0.000 3.043 17 T HA 0.029 4.886 4.350 0.845 0.000 0.263 17 T C 0.612 175.276 174.700 -0.061 0.000 1.094 17 T CA 0.273 62.330 62.100 -0.071 0.000 1.127 17 T CB -0.133 68.685 68.868 -0.084 0.000 0.905 17 T HN 0.598 nan 8.240 nan 0.000 0.490 18 E N 1.475 121.621 120.200 -0.090 0.000 2.259 18 E HA 0.234 5.091 4.350 0.845 0.000 0.281 18 E C -0.693 175.902 176.600 -0.008 0.000 1.027 18 E CA -0.614 55.752 56.400 -0.056 0.000 0.838 18 E CB 0.622 30.276 29.700 -0.077 0.000 1.066 18 E HN 0.336 nan 8.360 nan 0.000 0.401 19 K N 4.566 124.972 120.400 0.011 0.000 2.383 19 K HA 0.199 5.026 4.320 0.845 0.000 0.286 19 K C -0.252 176.378 176.600 0.050 0.000 1.051 19 K CA -0.055 56.256 56.287 0.040 0.000 0.974 19 K CB 0.582 33.096 32.500 0.022 0.000 0.968 19 K HN 0.415 nan 8.250 nan 0.000 0.475 20 I N 3.290 123.920 120.570 0.100 0.000 2.406 20 I HA 0.079 4.756 4.170 0.845 0.000 0.290 20 I C 0.603 176.734 176.117 0.024 0.000 0.999 20 I CA -0.833 60.516 61.300 0.081 0.000 1.124 20 I CB 1.508 39.610 38.000 0.170 0.000 1.289 20 I HN 0.708 nan 8.210 nan 0.000 0.441 21 E N 4.282 124.469 120.200 -0.023 0.000 2.384 21 E HA 0.104 4.961 4.350 0.845 0.000 0.266 21 E C -0.509 176.018 176.600 -0.121 0.000 1.012 21 E CA -0.377 55.987 56.400 -0.059 0.000 0.901 21 E CB 0.528 30.193 29.700 -0.058 0.000 0.967 21 E HN 0.474 nan 8.360 nan 0.000 0.435 22 T N 2.517 116.992 114.554 -0.132 0.000 2.800 22 T HA 0.177 5.034 4.350 0.845 0.000 0.283 22 T C 0.025 174.583 174.700 -0.238 0.000 0.999 22 T CA 0.485 62.467 62.100 -0.197 0.000 1.176 22 T CB 0.292 69.070 68.868 -0.150 0.000 0.973 22 T HN 0.600 nan 8.240 nan 0.000 0.519 23 A N 3.398 125.983 122.820 -0.390 0.000 2.293 23 A HA 0.592 5.419 4.320 0.845 0.000 0.302 23 A C 0.875 178.277 177.584 -0.304 0.000 1.119 23 A CA -0.599 51.188 52.037 -0.416 0.000 0.823 23 A CB 0.538 19.119 19.000 -0.698 0.000 1.097 23 A HN 0.757 nan 8.150 nan 0.000 0.491 24 E N -0.037 120.065 120.200 -0.165 0.000 2.571 24 E HA 0.034 4.891 4.350 0.845 0.000 0.222 24 E C 0.522 177.123 176.600 0.002 0.000 0.904 24 E CA 0.066 56.426 56.400 -0.066 0.000 1.157 24 E CB 0.319 29.983 29.700 -0.059 0.000 1.158 24 E HN 0.883 nan 8.360 nan 0.000 0.540 25 E N 0.898 121.108 120.200 0.016 0.000 2.855 25 E HA 0.402 5.259 4.350 0.845 0.000 0.259 25 E C 0.242 176.932 176.600 0.150 0.000 1.390 25 E CA -0.453 55.983 56.400 0.059 0.000 1.069 25 E CB 0.673 30.390 29.700 0.028 0.000 1.172 25 E HN -0.136 nan 8.360 nan 0.000 0.668 26 A N 0.155 123.039 122.820 0.106 0.000 2.448 26 A HA 0.182 5.009 4.320 0.845 0.000 0.239 26 A C -0.372 177.264 177.584 0.086 0.000 1.080 26 A CA -0.341 51.761 52.037 0.109 0.000 0.779 26 A CB -0.262 18.768 19.000 0.050 0.000 1.026 26 A HN 0.522 nan 8.150 nan 0.000 0.499 27 F N 2.575 122.462 119.950 -0.105 0.000 2.467 27 F HA 0.327 5.361 4.527 0.844 0.000 0.362 27 F C -0.743 174.883 175.800 -0.291 0.000 1.090 27 F CA -1.320 56.458 58.000 -0.369 0.000 1.202 27 F CB 1.082 39.918 39.000 -0.273 0.000 1.113 27 F HN 0.478 nan 8.300 nan 0.000 0.541 28 P HA -0.128 nan 4.420 nan 0.000 0.216 28 P C -0.868 176.109 177.300 -0.538 0.000 1.153 28 P CA 1.398 64.055 63.100 -0.738 0.000 0.844 28 P CB 0.130 31.059 31.700 -1.285 0.000 0.787 29 Y N -0.612 119.702 120.300 0.024 0.000 2.393 29 Y HA 0.522 5.578 4.550 0.845 0.000 0.341 29 Y C 1.546 177.796 175.900 0.584 0.000 0.988 29 Y CA -0.253 57.951 58.100 0.173 0.000 1.078 29 Y CB 1.193 39.451 38.460 -0.335 0.000 1.203 29 Y HN 0.234 nan 8.280 nan 0.000 0.453 30 G N 2.812 111.983 108.800 0.617 0.000 2.564 30 G HA2 -0.230 4.237 3.960 0.845 0.000 0.273 30 G HA3 -0.230 4.237 3.960 0.845 0.000 0.273 30 G C -0.727 174.289 174.900 0.194 0.000 1.242 30 G CA 0.004 45.297 45.100 0.322 0.000 0.951 30 G HN 0.641 nan 8.290 nan 0.000 0.564 31 E N -0.714 119.494 120.200 0.015 0.000 2.340 31 E HA 0.652 5.509 4.350 0.845 0.000 0.273 31 E C -0.393 176.123 176.600 -0.139 0.000 0.891 31 E CA -1.016 55.355 56.400 -0.048 0.000 0.757 31 E CB 2.061 31.702 29.700 -0.098 0.000 1.231 31 E HN 0.473 nan 8.360 nan 0.000 0.439 32 I N 1.022 121.475 120.570 -0.195 0.000 2.648 32 I HA 0.516 5.193 4.170 0.845 0.000 0.304 32 I C -0.277 175.647 176.117 -0.322 0.000 1.009 32 I CA -0.689 60.385 61.300 -0.376 0.000 1.114 32 I CB 1.589 39.331 38.000 -0.430 0.000 1.293 32 I HN 0.418 nan 8.210 nan 0.000 0.449 33 S N 3.039 118.468 115.700 -0.452 0.000 2.614 33 S HA 0.375 5.352 4.470 0.845 0.000 0.275 33 S C -0.129 174.298 174.600 -0.287 0.000 1.161 33 S CA -0.348 57.675 58.200 -0.294 0.000 0.969 33 S CB 1.468 64.523 63.200 -0.242 0.000 1.059 33 S HN 0.590 nan 8.310 nan 0.000 0.482 34 Q N 2.331 122.048 119.800 -0.139 0.000 2.319 34 Q HA 0.253 5.100 4.340 0.845 0.000 0.202 34 Q C 1.584 177.557 176.000 -0.044 0.000 0.896 34 Q CA 0.016 55.784 55.803 -0.057 0.000 0.942 34 Q CB 0.291 29.043 28.738 0.022 0.000 1.083 34 Q HN 0.664 nan 8.270 nan 0.000 0.510 35 K N 1.920 122.279 120.400 -0.068 0.000 2.015 35 K HA -0.177 4.650 4.320 0.845 0.000 0.216 35 K C 0.080 176.656 176.600 -0.040 0.000 1.052 35 K CA 1.623 57.880 56.287 -0.050 0.000 0.937 35 K CB 0.051 32.513 32.500 -0.064 0.000 0.719 35 K HN 0.210 nan 8.250 nan 0.000 0.446 36 E N -0.397 119.770 120.200 -0.055 0.000 2.176 36 E HA 0.378 5.235 4.350 0.845 0.000 0.267 36 E C 0.715 177.291 176.600 -0.039 0.000 0.893 36 E CA -0.259 56.118 56.400 -0.039 0.000 0.761 36 E CB 1.322 30.997 29.700 -0.042 0.000 1.133 36 E HN 0.387 nan 8.360 nan 0.000 0.409 37 G N 3.683 112.479 108.800 -0.006 0.000 2.684 37 G HA2 -0.362 4.105 3.960 0.845 0.000 0.332 37 G HA3 -0.362 4.105 3.960 0.845 0.000 0.332 37 G C -0.496 174.436 174.900 0.052 0.000 1.306 37 G CA 0.973 46.086 45.100 0.023 0.000 1.002 37 G HN 0.661 nan 8.290 nan 0.000 0.545 38 F N 1.384 121.249 119.950 -0.142 0.000 2.540 38 F HA 0.708 5.743 4.527 0.846 0.000 0.317 38 F C 0.088 175.778 175.800 -0.183 0.000 1.104 38 F CA 0.001 57.890 58.000 -0.185 0.000 0.913 38 F CB 1.988 40.842 39.000 -0.244 0.000 1.170 38 F HN 1.152 nan 8.300 nan 0.000 0.450 39 A N 5.556 127.748 122.820 -1.047 0.000 2.459 39 A HA 0.653 5.480 4.320 0.845 0.000 0.296 39 A C -2.331 174.798 177.584 -0.759 0.000 1.039 39 A CA -0.469 51.152 52.037 -0.693 0.000 0.698 39 A CB 0.828 19.598 19.000 -0.382 0.000 1.261 39 A HN 0.785 nan 8.150 nan 0.000 0.405 40 F N 2.001 121.634 119.950 -0.528 0.000 2.482 40 F HA 0.770 5.804 4.527 0.846 0.000 0.331 40 F C -0.382 175.345 175.800 -0.122 0.000 1.115 40 F CA -0.102 57.715 58.000 -0.306 0.000 0.955 40 F CB 2.191 41.164 39.000 -0.045 0.000 1.136 40 F HN 0.422 nan 8.300 nan 0.000 0.452 41 T N 6.468 120.464 114.554 -0.929 0.000 2.881 41 T HA 0.291 5.148 4.350 0.845 0.000 0.291 41 T C -1.948 172.369 174.700 -0.638 0.000 0.990 41 T CA -0.381 61.326 62.100 -0.655 0.000 0.976 41 T CB 0.709 69.373 68.868 -0.340 0.000 0.970 41 T HN 0.582 nan 8.240 nan 0.000 0.438 42 Y N 4.050 124.019 120.300 -0.552 0.000 2.350 42 Y HA 0.573 5.630 4.550 0.846 0.000 0.338 42 Y C -0.964 174.888 175.900 -0.080 0.000 0.961 42 Y CA -1.435 56.526 58.100 -0.231 0.000 1.100 42 Y CB 0.786 39.245 38.460 -0.001 0.000 1.179 42 Y HN 0.420 nan 8.280 nan 0.000 0.454 43 I N 7.893 128.034 120.570 -0.716 0.000 2.312 43 I HA 0.208 4.885 4.170 0.845 0.000 0.291 43 I C 0.041 175.730 176.117 -0.713 0.000 1.031 43 I CA -0.421 60.571 61.300 -0.513 0.000 1.293 43 I CB 0.490 38.291 38.000 -0.331 0.000 1.403 43 I HN 0.673 nan 8.210 nan 0.000 0.484 44 M N 3.186 122.620 119.600 -0.277 0.000 2.472 44 M HA 0.547 5.534 4.480 0.845 0.000 0.331 44 M C -0.361 175.939 176.300 0.000 0.000 1.170 44 M CA -0.788 54.499 55.300 -0.022 0.000 1.009 44 M CB 1.670 34.411 32.600 0.235 0.000 1.672 44 M HN 0.345 nan 8.290 nan 0.000 0.453 45 D N 1.551 121.984 120.400 0.056 0.000 2.400 45 D HA -0.039 5.108 4.640 0.845 0.000 0.238 45 D C 0.994 177.307 176.300 0.022 0.000 1.157 45 D CA 0.337 54.356 54.000 0.032 0.000 0.889 45 D CB 0.921 41.753 40.800 0.054 0.000 1.199 45 D HN 0.841 nan 8.370 nan 0.000 0.436 46 E N 1.000 121.204 120.200 0.008 0.000 2.171 46 E HA -0.238 4.619 4.350 0.845 0.000 0.197 46 E C 0.462 177.064 176.600 0.003 0.000 0.997 46 E CA 1.120 57.521 56.400 0.002 0.000 0.810 46 E CB 0.175 29.873 29.700 -0.003 0.000 0.738 46 E HN 0.537 nan 8.360 nan 0.000 0.467 47 D N 0.659 121.064 120.400 0.008 0.000 2.349 47 D HA -0.030 5.117 4.640 0.845 0.000 0.215 47 D C -0.216 176.082 176.300 -0.003 0.000 1.016 47 D CA 0.168 54.170 54.000 0.004 0.000 0.870 47 D CB 0.011 40.818 40.800 0.011 0.000 0.917 47 D HN 0.091 nan 8.370 nan 0.000 0.524 48 D N 1.083 121.487 120.400 0.005 0.000 2.487 48 D HA 0.063 5.210 4.640 0.845 0.000 0.243 48 D C 0.409 176.672 176.300 -0.062 0.000 1.154 48 D CA 0.481 54.475 54.000 -0.011 0.000 0.876 48 D CB 1.066 41.888 40.800 0.035 0.000 1.161 48 D HN 0.103 nan 8.370 nan 0.000 0.478 49 I N 2.052 122.542 120.570 -0.134 0.000 2.392 49 I HA 0.172 4.849 4.170 0.845 0.000 0.295 49 I C -0.033 175.864 176.117 -0.367 0.000 0.985 49 I CA -0.761 60.379 61.300 -0.267 0.000 1.221 49 I CB 1.794 39.558 38.000 -0.393 0.000 1.366 49 I HN -0.046 nan 8.210 nan 0.000 0.467 50 V N 6.888 126.591 119.914 -0.351 0.000 2.378 50 V HA 0.365 4.992 4.120 0.845 0.000 0.288 50 V C -0.778 175.119 176.094 -0.329 0.000 1.016 50 V CA -0.560 61.565 62.300 -0.292 0.000 0.840 50 V CB 1.020 32.778 31.823 -0.109 0.000 0.994 50 V HN 0.401 nan 8.190 nan 0.000 0.431 51 Y N 2.476 122.721 120.300 -0.092 0.000 2.488 51 Y HA 0.911 5.968 4.550 0.846 0.000 0.325 51 Y C 0.910 176.684 175.900 -0.209 0.000 1.204 51 Y CA 0.260 58.299 58.100 -0.103 0.000 1.229 51 Y CB 1.797 40.259 38.460 0.004 0.000 1.274 51 Y HN 0.906 nan 8.280 nan 0.000 0.493 52 G N -0.591 108.202 108.800 -0.013 0.000 2.362 52 G HA2 -0.005 4.462 3.960 0.845 0.000 0.517 52 G HA3 -0.005 4.462 3.960 0.845 0.000 0.517 52 G C -0.648 174.163 174.900 -0.149 0.000 1.256 52 G CA -0.544 44.468 45.100 -0.146 0.000 1.027 52 G HN 0.975 nan 8.290 nan 0.000 0.491 53 L N -0.312 120.826 121.223 -0.142 0.000 4.040 53 L HA -0.220 4.628 4.340 0.845 0.000 0.410 53 L C 2.440 179.312 176.870 0.003 0.000 1.187 53 L CA 1.109 55.844 54.840 -0.174 0.000 0.956 53 L CB -1.912 39.866 42.059 -0.469 0.000 2.022 53 L HN 2.791 nan 8.230 nan 0.000 0.897 54 G N 0.932 109.802 108.800 0.117 0.000 2.738 54 G HA2 -0.424 4.043 3.960 0.845 0.000 0.391 54 G HA3 -0.424 4.043 3.960 0.845 0.000 0.391 54 G C 0.354 175.340 174.900 0.143 0.000 1.049 54 G CA 1.000 46.195 45.100 0.158 0.000 0.855 54 G HN 0.678 nan 8.290 nan 0.000 0.757 55 E N 1.429 121.807 120.200 0.296 0.000 1.858 55 E HA 0.448 5.305 4.350 0.845 0.000 0.267 55 E C 0.236 176.839 176.600 0.005 0.000 1.215 55 E CA 0.316 56.788 56.400 0.120 0.000 0.952 55 E CB -0.269 29.527 29.700 0.161 0.000 1.058 55 E HN 0.672 nan 8.360 nan 0.000 0.407 56 S N 3.163 118.841 115.700 -0.038 0.000 2.671 56 S HA 0.393 5.370 4.470 0.845 0.000 0.277 56 S C -0.455 174.133 174.600 -0.020 0.000 1.165 56 S CA -1.168 56.986 58.200 -0.076 0.000 0.822 56 S CB 1.201 64.269 63.200 -0.219 0.000 1.150 56 S HN 0.358 nan 8.310 nan 0.000 0.479 57 N N 0.763 119.532 118.700 0.114 0.000 2.381 57 N HA 0.453 5.701 4.740 0.845 0.000 0.254 57 N C 0.588 176.222 175.510 0.208 0.000 1.264 57 N CA 0.041 53.203 53.050 0.187 0.000 0.942 57 N CB 0.013 38.660 38.487 0.266 0.000 1.190 57 N HN 0.777 nan 8.380 nan 0.000 0.495 58 R N -1.378 119.210 120.500 0.147 0.000 3.860 58 R HA -0.198 4.649 4.340 0.845 0.000 0.460 58 R C 0.588 176.927 176.300 0.065 0.000 0.241 58 R CA 1.229 57.393 56.100 0.107 0.000 1.452 58 R CB -1.821 28.572 30.300 0.155 0.000 1.021 58 R HN 0.660 nan 8.270 nan 0.000 0.555 59 G N -0.604 108.230 108.800 0.057 0.000 2.543 59 G HA2 0.489 4.956 3.960 0.845 0.000 0.290 59 G HA3 0.489 4.956 3.960 0.845 0.000 0.290 59 G C 1.100 176.003 174.900 0.005 0.000 1.310 59 G CA -0.219 44.894 45.100 0.021 0.000 1.025 59 G HN 0.457 nan 8.290 nan 0.000 0.502 60 I N -0.346 120.228 120.570 0.007 0.000 2.252 60 I HA -0.089 4.588 4.170 0.845 0.000 0.245 60 I C 0.986 177.132 176.117 0.048 0.000 1.102 60 I CA 0.542 61.864 61.300 0.036 0.000 1.385 60 I CB -0.047 37.981 38.000 0.047 0.000 1.064 60 I HN 0.271 nan 8.210 nan 0.000 0.414 61 N N 1.884 120.583 118.700 -0.002 0.000 2.401 61 N HA 0.003 5.250 4.740 0.845 0.000 0.255 61 N C 0.696 176.197 175.510 -0.016 0.000 1.110 61 N CA 0.189 53.194 53.050 -0.075 0.000 0.949 61 N CB 0.710 39.148 38.487 -0.082 0.000 1.110 61 N HN 0.002 nan 8.380 nan 0.000 0.490 62 K N 2.625 123.006 120.400 -0.031 0.000 2.365 62 K HA 0.002 4.829 4.320 0.845 0.000 0.199 62 K C 0.368 177.098 176.600 0.218 0.000 1.045 62 K CA 0.337 56.660 56.287 0.061 0.000 0.962 62 K CB 0.024 32.472 32.500 -0.086 0.000 0.759 62 K HN 0.519 nan 8.250 nan 0.000 0.469 63 R N 0.301 120.869 120.500 0.114 0.000 2.697 63 R HA 0.004 4.851 4.340 0.845 0.000 0.265 63 R C 0.896 177.294 176.300 0.164 0.000 1.009 63 R CA 1.080 57.257 56.100 0.128 0.000 1.099 63 R CB -0.093 30.240 30.300 0.055 0.000 0.965 63 R HN 0.447 nan 8.270 nan 0.000 0.428 64 G N 0.536 109.438 108.800 0.170 0.000 2.149 64 G HA2 -0.297 4.170 3.960 0.845 0.000 0.235 64 G HA3 -0.297 4.170 3.960 0.845 0.000 0.235 64 G C -0.740 174.346 174.900 0.309 0.000 1.018 64 G CA 0.364 45.570 45.100 0.176 0.000 0.728 64 G HN 0.599 nan 8.290 nan 0.000 0.508 65 Y N -1.687 118.668 120.300 0.091 0.000 2.914 65 Y HA 0.627 5.684 4.550 0.844 0.000 0.327 65 Y C -0.565 175.135 175.900 -0.334 0.000 1.440 65 Y CA -0.921 57.147 58.100 -0.054 0.000 1.086 65 Y CB 0.898 39.242 38.460 -0.194 0.000 1.544 65 Y HN 0.786 nan 8.280 nan 0.000 0.442 66 C N 1.959 120.456 119.300 -1.338 0.000 2.609 66 C HA 0.872 5.839 4.460 0.845 0.000 0.313 66 C C -2.219 172.070 174.990 -1.168 0.000 1.175 66 C CA -0.555 57.784 59.018 -1.133 0.000 1.434 66 C CB -0.272 26.631 27.740 -1.396 0.000 2.005 66 C HN 0.563 nan 8.230 nan 0.000 0.471 67 Y N 5.105 125.314 120.300 -0.152 0.000 2.361 67 Y HA 0.623 5.680 4.550 0.846 0.000 0.328 67 Y C -0.085 175.826 175.900 0.018 0.000 1.044 67 Y CA -0.814 57.242 58.100 -0.073 0.000 1.085 67 Y CB 1.069 39.480 38.460 -0.082 0.000 1.194 67 Y HN 0.519 nan 8.280 nan 0.000 0.438 68 I N 2.407 123.046 120.570 0.114 0.000 2.355 68 I HA 0.281 4.958 4.170 0.845 0.000 0.288 68 I C -0.132 176.048 176.117 0.104 0.000 0.999 68 I CA -0.521 60.841 61.300 0.103 0.000 1.163 68 I CB 1.593 39.599 38.000 0.011 0.000 1.316 68 I HN 0.555 nan 8.210 nan 0.000 0.454 69 S N 5.196 120.994 115.700 0.163 0.000 2.686 69 S HA 0.128 5.105 4.470 0.845 0.000 0.324 69 S C 0.124 174.791 174.600 0.112 0.000 1.172 69 S CA 0.015 58.290 58.200 0.126 0.000 1.127 69 S CB -0.670 62.662 63.200 0.219 0.000 1.338 69 S HN 0.547 nan 8.310 nan 0.000 0.547 70 N N 2.157 120.899 118.700 0.070 0.000 2.732 70 N HA 0.142 5.389 4.740 0.845 0.000 0.235 70 N C -1.013 174.565 175.510 0.115 0.000 1.466 70 N CA -0.492 52.615 53.050 0.096 0.000 0.751 70 N CB 0.104 38.606 38.487 0.025 0.000 1.317 70 N HN 0.421 nan 8.380 nan 0.000 0.525 71 C N 1.162 120.530 119.300 0.114 0.000 1.798 71 C HA 0.052 5.019 4.460 0.845 0.000 0.435 71 C C 1.048 176.115 174.990 0.128 0.000 1.503 71 C CA 0.611 59.664 59.018 0.057 0.000 1.518 71 C CB -2.154 25.547 27.740 -0.065 0.000 2.822 71 C HN 0.518 nan 8.230 nan 0.000 0.608 72 T N 1.590 116.162 114.554 0.031 0.000 2.906 72 T HA 0.355 5.212 4.350 0.845 0.000 0.295 72 T C -0.998 173.660 174.700 -0.071 0.000 1.061 72 T CA -0.413 61.701 62.100 0.024 0.000 1.000 72 T CB 1.425 70.296 68.868 0.004 0.000 1.103 72 T HN 0.645 nan 8.240 nan 0.000 0.486 73 D N 2.533 122.969 120.400 0.060 0.000 2.485 73 D HA 0.311 5.458 4.640 0.845 0.000 0.229 73 D C -1.037 175.315 176.300 0.086 0.000 1.101 73 D CA -0.298 53.776 54.000 0.124 0.000 0.906 73 D CB 0.403 41.355 40.800 0.253 0.000 1.019 73 D HN 0.289 nan 8.370 nan 0.000 0.516 74 D N 3.515 123.925 120.400 0.017 0.000 2.344 74 D HA 0.213 5.360 4.640 0.845 0.000 0.239 74 D C -1.388 174.960 176.300 0.080 0.000 1.064 74 D CA -1.996 52.055 54.000 0.085 0.000 0.829 74 D CB 2.413 43.273 40.800 0.101 0.000 1.129 74 D HN 0.144 nan 8.370 nan 0.000 0.506 75 P HA -0.132 nan 4.420 nan 0.000 0.216 75 P C 0.489 177.781 177.300 -0.014 0.000 1.157 75 P CA 1.121 64.251 63.100 0.050 0.000 0.880 75 P CB 0.243 32.008 31.700 0.109 0.000 0.791 76 I N -1.018 119.612 120.570 0.100 0.000 2.365 76 I HA 0.195 4.872 4.170 0.845 0.000 0.291 76 I C 1.159 177.455 176.117 0.299 0.000 1.004 76 I CA -0.194 61.203 61.300 0.163 0.000 1.311 76 I CB 0.529 38.659 38.000 0.217 0.000 1.401 76 I HN -0.034 nan 8.210 nan 0.000 0.491 77 H N 3.137 122.299 119.070 0.154 0.000 2.512 77 H HA 0.112 5.174 4.556 0.844 0.000 0.276 77 H C 0.359 175.872 175.328 0.309 0.000 1.126 77 H CA -0.498 55.660 56.048 0.182 0.000 1.060 77 H CB 0.630 30.475 29.762 0.139 0.000 1.646 77 H HN 0.783 nan 8.280 nan 0.000 0.571 78 T N -1.589 113.233 114.554 0.448 0.000 2.785 78 T HA -0.127 4.730 4.350 0.845 0.000 0.341 78 T C 1.271 176.080 174.700 0.181 0.000 1.093 78 T CA -0.030 62.267 62.100 0.327 0.000 1.103 78 T CB 1.114 70.115 68.868 0.222 0.000 1.011 78 T HN 0.409 nan 8.240 nan 0.000 0.549 79 E N 0.582 120.837 120.200 0.093 0.000 2.331 79 E HA -0.179 4.678 4.350 0.845 0.000 0.199 79 E C 1.714 178.260 176.600 -0.089 0.000 1.008 79 E CA 1.372 57.761 56.400 -0.018 0.000 0.843 79 E CB -0.029 29.619 29.700 -0.086 0.000 0.761 79 E HN 0.823 nan 8.360 nan 0.000 0.507 80 D N -0.190 120.223 120.400 0.023 0.000 2.333 80 D HA -0.069 5.078 4.640 0.845 0.000 0.208 80 D C 0.218 176.644 176.300 0.211 0.000 0.984 80 D CA 0.139 54.207 54.000 0.113 0.000 0.873 80 D CB 0.101 40.968 40.800 0.112 0.000 0.935 80 D HN -0.105 nan 8.370 nan 0.000 0.521 81 K N 1.300 121.786 120.400 0.143 0.000 2.485 81 K HA 0.099 4.926 4.320 0.845 0.000 0.277 81 K C 1.043 177.717 176.600 0.124 0.000 0.990 81 K CA 0.113 56.463 56.287 0.104 0.000 0.994 81 K CB 1.389 33.920 32.500 0.052 0.000 0.906 81 K HN 0.153 nan 8.250 nan 0.000 0.488 82 R N 0.285 120.807 120.500 0.037 0.000 2.221 82 R HA 0.091 4.938 4.340 0.845 0.000 0.195 82 R C 0.054 176.359 176.300 0.009 0.000 0.956 82 R CA 0.216 56.304 56.100 -0.019 0.000 1.064 82 R CB 0.592 30.812 30.300 -0.134 0.000 1.049 82 R HN 0.380 nan 8.270 nan 0.000 0.534 83 S N 0.824 116.511 115.700 -0.022 0.000 2.449 83 S HA 0.397 5.374 4.470 0.845 0.000 0.310 83 S C 0.044 174.562 174.600 -0.136 0.000 1.096 83 S CA -0.652 57.519 58.200 -0.049 0.000 1.095 83 S CB 1.982 65.159 63.200 -0.038 0.000 1.007 83 S HN 0.061 nan 8.310 nan 0.000 0.474 84 L N 1.133 122.249 121.223 -0.179 0.000 2.591 84 L HA 0.405 5.252 4.340 0.845 0.000 0.197 84 L C 0.664 177.319 176.870 -0.358 0.000 1.537 84 L CA -0.165 54.467 54.840 -0.347 0.000 3.045 84 L CB -0.110 41.777 42.059 -0.286 0.000 2.859 84 L HN 0.655 nan 8.230 nan 0.000 0.957 85 Y N -0.673 119.576 120.300 -0.085 0.000 2.535 85 Y HA 0.289 5.348 4.550 0.849 0.000 0.264 85 Y C 1.140 176.971 175.900 -0.115 0.000 1.087 85 Y CA -0.172 57.885 58.100 -0.070 0.000 1.285 85 Y CB 0.053 38.466 38.460 -0.078 0.000 1.200 85 Y HN 0.261 nan 8.280 nan 0.000 0.514 86 G N -0.061 108.695 108.800 -0.074 0.000 2.477 86 G HA2 0.506 4.974 3.960 0.845 0.000 0.304 86 G HA3 0.506 4.974 3.960 0.845 0.000 0.304 86 G C -0.607 173.996 174.900 -0.495 0.000 1.175 86 G CA -0.150 44.667 45.100 -0.471 0.000 0.907 86 G HN 0.204 nan 8.290 nan 0.000 0.509 87 A N 0.943 123.442 122.820 -0.535 0.000 3.297 87 A HA 0.504 5.332 4.320 0.845 0.000 0.304 87 A C -0.424 177.046 177.584 -0.191 0.000 0.963 87 A CA -0.570 51.369 52.037 -0.163 0.000 0.935 87 A CB -0.313 18.819 19.000 0.220 0.000 1.093 87 A HN 0.755 nan 8.150 nan 0.000 0.480 88 H N 0.412 119.492 119.070 0.016 0.000 2.724 88 H HA 0.233 5.296 4.556 0.845 0.000 0.278 88 H C 0.215 175.592 175.328 0.082 0.000 1.159 88 H CA -0.381 55.695 56.048 0.047 0.000 1.254 88 H CB 0.325 30.141 29.762 0.091 0.000 1.412 88 H HN 0.602 nan 8.280 nan 0.000 0.488 89 N N 2.805 121.683 118.700 0.296 0.000 2.389 89 N HA 0.007 5.254 4.740 0.845 0.000 0.237 89 N C -0.842 175.005 175.510 0.561 0.000 1.148 89 N CA -0.253 53.020 53.050 0.372 0.000 0.854 89 N CB 0.373 39.105 38.487 0.407 0.000 1.115 89 N HN 0.337 nan 8.380 nan 0.000 0.492 90 F N 3.022 123.125 119.950 0.255 0.000 2.420 90 F HA 0.501 5.536 4.527 0.847 0.000 0.342 90 F C -0.239 175.605 175.800 0.074 0.000 1.113 90 F CA -2.051 56.032 58.000 0.138 0.000 1.059 90 F CB 0.441 39.330 39.000 -0.184 0.000 1.128 90 F HN -0.060 nan 8.300 nan 0.000 0.475 91 I N 5.041 125.517 120.570 -0.157 0.000 2.828 91 I HA 0.660 5.338 4.170 0.845 0.000 0.302 91 I C -1.566 174.260 176.117 -0.485 0.000 1.101 91 I CA -1.072 60.042 61.300 -0.310 0.000 1.031 91 I CB 2.595 40.608 38.000 0.022 0.000 1.231 91 I HN 0.448 nan 8.210 nan 0.000 0.427 92 I N 4.587 124.915 120.570 -0.403 0.000 2.466 92 I HA 0.431 5.108 4.170 0.845 0.000 0.289 92 I C -0.556 175.390 176.117 -0.285 0.000 1.026 92 I CA -1.145 59.960 61.300 -0.325 0.000 1.078 92 I CB 2.061 39.954 38.000 -0.178 0.000 1.249 92 I HN 0.302 nan 8.210 nan 0.000 0.429 93 V N 4.317 123.916 119.914 -0.524 0.000 2.461 93 V HA 0.234 4.861 4.120 0.845 0.000 0.275 93 V C 0.341 176.247 176.094 -0.313 0.000 1.047 93 V CA 0.010 62.021 62.300 -0.482 0.000 0.955 93 V CB 1.453 32.792 31.823 -0.807 0.000 0.988 93 V HN 0.799 nan 8.190 nan 0.000 0.471 94 S N 3.646 119.241 115.700 -0.175 0.000 2.653 94 S HA 0.753 5.730 4.470 0.845 0.000 0.272 94 S C 0.319 174.900 174.600 -0.030 0.000 1.221 94 S CA 0.214 58.382 58.200 -0.054 0.000 1.149 94 S CB 0.528 63.780 63.200 0.086 0.000 1.029 94 S HN 1.035 nan 8.310 nan 0.000 0.481 95 G N 3.724 112.523 108.800 -0.002 0.000 3.481 95 G HA2 0.300 4.767 3.960 0.845 0.000 0.180 95 G HA3 0.300 4.767 3.960 0.845 0.000 0.180 95 G C 0.279 175.208 174.900 0.048 0.000 1.345 95 G CA -0.224 44.892 45.100 0.027 0.000 1.104 95 G HN 0.478 nan 8.290 nan 0.000 0.749 96 K N -0.179 120.262 120.400 0.068 0.000 2.102 96 K HA 0.260 5.087 4.320 0.845 0.000 0.206 96 K C 0.676 177.332 176.600 0.092 0.000 1.031 96 K CA 0.729 57.061 56.287 0.074 0.000 0.962 96 K CB -0.176 32.369 32.500 0.075 0.000 0.811 96 K HN 0.321 nan 8.250 nan 0.000 0.453 97 T N 1.545 116.174 114.554 0.125 0.000 2.916 97 T HA 0.165 5.022 4.350 0.845 0.000 0.303 97 T C -0.382 174.390 174.700 0.120 0.000 1.025 97 T CA 0.278 62.471 62.100 0.155 0.000 1.142 97 T CB 0.983 69.983 68.868 0.220 0.000 0.947 97 T HN 0.081 nan 8.240 nan 0.000 0.544 98 T N 4.072 118.706 114.554 0.133 0.000 3.237 98 T HA 0.583 5.440 4.350 0.845 0.000 0.319 98 T C -1.165 173.603 174.700 0.114 0.000 1.037 98 T CA -0.760 61.358 62.100 0.029 0.000 1.048 98 T CB 0.460 69.344 68.868 0.026 0.000 1.081 98 T HN 0.606 nan 8.240 nan 0.000 0.455 99 F N -0.351 119.523 119.950 -0.128 0.000 2.708 99 F HA 0.768 5.802 4.527 0.845 0.000 0.309 99 F C -0.446 175.334 175.800 -0.034 0.000 1.120 99 F CA -1.178 56.775 58.000 -0.079 0.000 0.978 99 F CB 0.590 39.451 39.000 -0.231 0.000 1.283 99 F HN 0.731 nan 8.300 nan 0.000 0.439 100 G N 2.031 110.939 108.800 0.180 0.000 2.441 100 G HA2 0.756 5.223 3.960 0.845 0.000 0.334 100 G HA3 0.756 5.223 3.960 0.845 0.000 0.334 100 G C -1.952 173.172 174.900 0.373 0.000 1.161 100 G CA -1.229 43.963 45.100 0.153 0.000 0.935 100 G HN 0.824 nan 8.290 nan 0.000 0.488 101 L N 0.390 121.832 121.223 0.365 0.000 2.410 101 L HA 0.456 5.303 4.340 0.845 0.000 0.270 101 L C -1.462 175.730 176.870 0.536 0.000 0.983 101 L CA -0.757 54.310 54.840 0.378 0.000 0.822 101 L CB 2.585 44.824 42.059 0.298 0.000 1.285 101 L HN 0.502 nan 8.230 nan 0.000 0.409 102 F N 3.220 123.327 119.950 0.262 0.000 2.402 102 F HA 0.513 5.548 4.527 0.847 0.000 0.355 102 F C -0.934 175.046 175.800 0.300 0.000 1.123 102 F CA -0.822 57.346 58.000 0.280 0.000 1.021 102 F CB 0.875 39.933 39.000 0.098 0.000 1.160 102 F HN 0.153 nan 8.300 nan 0.000 0.451 103 F N 4.879 124.679 119.950 -0.251 0.000 2.351 103 F HA 0.176 5.209 4.527 0.844 0.000 0.362 103 F C 0.397 175.925 175.800 -0.454 0.000 1.131 103 F CA -0.581 57.300 58.000 -0.198 0.000 1.187 103 F CB 0.203 39.184 39.000 -0.031 0.000 1.434 103 F HN 0.364 nan 8.300 nan 0.000 0.553 104 D N 3.918 124.173 120.400 -0.242 0.000 2.435 104 D HA 0.032 5.179 4.640 0.845 0.000 0.230 104 D C -1.239 175.239 176.300 0.296 0.000 1.215 104 D CA 0.351 54.362 54.000 0.018 0.000 0.947 104 D CB -0.207 40.848 40.800 0.426 0.000 1.048 104 D HN 0.394 nan 8.370 nan 0.000 0.512 105 Y N 3.859 124.270 120.300 0.185 0.000 2.470 105 Y HA 0.446 5.503 4.550 0.846 0.000 0.341 105 Y C -2.270 173.710 175.900 0.134 0.000 1.021 105 Y CA -2.027 56.151 58.100 0.130 0.000 1.025 105 Y CB 2.498 40.997 38.460 0.064 0.000 1.266 105 Y HN 0.088 nan 8.280 nan 0.000 0.448 106 P HA 0.176 nan 4.420 nan 0.000 0.267 106 P C -0.131 176.846 177.300 -0.538 0.000 1.289 106 P CA 0.494 63.289 63.100 -0.508 0.000 0.866 106 P CB 1.011 32.386 31.700 -0.541 0.000 1.309 107 S N -0.425 114.793 115.700 -0.803 0.000 2.795 107 S HA 0.414 5.391 4.470 0.845 0.000 0.308 107 S C -0.313 174.280 174.600 -0.012 0.000 1.098 107 S CA -0.784 57.149 58.200 -0.446 0.000 0.934 107 S CB 0.663 63.546 63.200 -0.529 0.000 1.300 107 S HN -0.205 nan 8.310 nan 0.000 0.566 108 K N 1.233 121.689 120.400 0.093 0.000 2.405 108 K HA 0.100 4.927 4.320 0.845 0.000 0.276 108 K C -1.251 175.499 176.600 0.250 0.000 1.099 108 K CA 0.176 56.550 56.287 0.145 0.000 1.120 108 K CB -0.338 32.200 32.500 0.064 0.000 0.877 108 K HN 0.343 nan 8.250 nan 0.000 0.472 109 L N 4.951 126.308 121.223 0.223 0.000 2.345 109 L HA 0.273 5.120 4.340 0.845 0.000 0.274 109 L C -0.955 175.972 176.870 0.095 0.000 0.999 109 L CA -0.005 54.919 54.840 0.140 0.000 0.849 109 L CB 1.743 43.930 42.059 0.213 0.000 1.220 109 L HN 0.473 nan 8.230 nan 0.000 0.422 110 T N 5.740 120.269 114.554 -0.042 0.000 2.729 110 T HA 0.370 5.227 4.350 0.845 0.000 0.296 110 T C -0.239 174.405 174.700 -0.094 0.000 0.928 110 T CA 0.364 62.457 62.100 -0.011 0.000 1.045 110 T CB -0.299 68.524 68.868 -0.076 0.000 0.902 110 T HN 0.258 nan 8.240 nan 0.000 0.500 111 F N 2.786 122.707 119.950 -0.048 0.000 2.335 111 F HA 0.217 5.251 4.527 0.845 0.000 0.365 111 F C 0.915 176.710 175.800 -0.008 0.000 1.122 111 F CA -1.114 56.882 58.000 -0.008 0.000 1.151 111 F CB 0.622 39.665 39.000 0.071 0.000 1.282 111 F HN 0.412 nan 8.300 nan 0.000 0.513 112 D N 5.839 126.280 120.400 0.067 0.000 2.494 112 D HA 0.164 5.311 4.640 0.845 0.000 0.217 112 D C 0.013 176.378 176.300 0.109 0.000 1.153 112 D CA -0.124 53.882 54.000 0.009 0.000 0.954 112 D CB 0.168 40.953 40.800 -0.024 0.000 1.034 112 D HN 0.441 nan 8.370 nan 0.000 0.518 113 I N 2.522 123.200 120.570 0.180 0.000 2.206 113 I HA 0.250 4.927 4.170 0.845 0.000 0.292 113 I C 1.466 177.690 176.117 0.178 0.000 1.156 113 I CA -0.446 60.985 61.300 0.218 0.000 1.356 113 I CB 0.321 38.506 38.000 0.309 0.000 1.494 113 I HN 0.532 nan 8.210 nan 0.000 0.601 114 G N 3.513 112.393 108.800 0.134 0.000 2.147 114 G HA2 -0.371 4.096 3.960 0.845 0.000 0.244 114 G HA3 -0.371 4.096 3.960 0.845 0.000 0.244 114 G C 0.429 175.401 174.900 0.120 0.000 1.005 114 G CA 0.683 45.845 45.100 0.103 0.000 0.713 114 G HN 0.680 nan 8.290 nan 0.000 0.515 115 Y N 0.183 120.474 120.300 -0.014 0.000 2.262 115 Y HA 0.129 5.186 4.550 0.846 0.000 0.295 115 Y C 2.720 178.595 175.900 -0.042 0.000 1.121 115 Y CA 2.173 60.249 58.100 -0.040 0.000 1.144 115 Y CB 0.146 38.511 38.460 -0.159 0.000 1.043 115 Y HN 0.159 nan 8.280 nan 0.000 0.528 116 T N 0.933 115.555 114.554 0.114 0.000 2.770 116 T HA 0.091 4.948 4.350 0.845 0.000 0.258 116 T C 0.404 175.062 174.700 -0.070 0.000 1.039 116 T CA 0.922 63.009 62.100 -0.021 0.000 1.143 116 T CB -0.102 68.807 68.868 0.068 0.000 0.866 116 T HN 0.093 nan 8.240 nan 0.000 0.428 117 R N 0.435 120.917 120.500 -0.030 0.000 2.686 117 R HA 0.408 5.255 4.340 0.845 0.000 0.286 117 R C 1.074 177.362 176.300 -0.020 0.000 0.969 117 R CA -0.348 55.727 56.100 -0.041 0.000 0.898 117 R CB 1.412 31.686 30.300 -0.043 0.000 1.183 117 R HN 0.146 nan 8.270 nan 0.000 0.456 118 M N 2.177 121.762 119.600 -0.026 0.000 2.149 118 M HA -0.164 4.824 4.480 0.845 0.000 0.261 118 M C 0.564 176.862 176.300 -0.004 0.000 1.064 118 M CA 2.235 57.530 55.300 -0.009 0.000 1.102 118 M CB -0.055 32.535 32.600 -0.017 0.000 1.369 118 M HN 0.640 nan 8.290 nan 0.000 0.408 119 D N -0.977 119.409 120.400 -0.023 0.000 2.323 119 D HA -0.020 5.127 4.640 0.845 0.000 0.209 119 D C 0.166 176.442 176.300 -0.040 0.000 0.973 119 D CA 0.528 54.507 54.000 -0.035 0.000 0.874 119 D CB -0.677 40.089 40.800 -0.056 0.000 0.930 119 D HN 0.207 nan 8.370 nan 0.000 0.521 120 T N 1.414 115.951 114.554 -0.028 0.000 2.743 120 T HA 0.359 5.216 4.350 0.845 0.000 0.292 120 T C -0.563 174.150 174.700 0.021 0.000 0.972 120 T CA -0.686 61.394 62.100 -0.033 0.000 0.967 120 T CB 1.119 69.955 68.868 -0.053 0.000 0.926 120 T HN 0.036 nan 8.240 nan 0.000 0.459 121 L N 5.057 126.315 121.223 0.058 0.000 2.261 121 L HA 0.569 5.416 4.340 0.845 0.000 0.289 121 L C -0.100 176.780 176.870 0.017 0.000 1.059 121 L CA -0.082 54.825 54.840 0.111 0.000 0.816 121 L CB 0.271 42.477 42.059 0.244 0.000 1.191 121 L HN 0.434 nan 8.230 nan 0.000 0.431 122 K N 4.173 124.571 120.400 -0.003 0.000 2.292 122 K HA 0.702 5.529 4.320 0.845 0.000 0.257 122 K C -1.776 174.777 176.600 -0.078 0.000 0.940 122 K CA -0.734 55.504 56.287 -0.083 0.000 0.811 122 K CB 1.705 34.149 32.500 -0.093 0.000 1.120 122 K HN 0.486 nan 8.250 nan 0.000 0.428 123 V N 3.959 123.807 119.914 -0.111 0.000 2.376 123 V HA 0.340 4.967 4.120 0.845 0.000 0.287 123 V C -0.584 175.361 176.094 -0.248 0.000 1.015 123 V CA -0.599 61.510 62.300 -0.319 0.000 0.834 123 V CB 1.185 32.642 31.823 -0.610 0.000 1.001 123 V HN 0.952 nan 8.190 nan 0.000 0.428 124 S N 4.072 119.623 115.700 -0.249 0.000 2.677 124 S HA 0.943 5.920 4.470 0.845 0.000 0.304 124 S C -0.372 174.139 174.600 -0.150 0.000 1.108 124 S CA -0.470 57.635 58.200 -0.159 0.000 0.944 124 S CB 2.302 65.416 63.200 -0.142 0.000 1.127 124 S HN 1.431 nan 8.310 nan 0.000 0.511 125 C N -0.587 118.659 119.300 -0.090 0.000 3.306 125 C HA 0.649 5.616 4.460 0.845 0.000 0.335 125 C C 0.576 175.518 174.990 -0.080 0.000 1.382 125 C CA -0.633 58.292 59.018 -0.155 0.000 1.254 125 C CB 0.287 27.723 27.740 -0.507 0.000 1.555 125 C HN 1.003 nan 8.230 nan 0.000 0.463 126 E N 0.670 120.856 120.200 -0.024 0.000 2.276 126 E HA 0.087 4.944 4.350 0.845 0.000 0.193 126 E C -0.277 176.360 176.600 0.062 0.000 0.983 126 E CA 0.727 57.150 56.400 0.037 0.000 0.861 126 E CB 0.119 29.856 29.700 0.062 0.000 0.817 126 E HN 0.804 nan 8.360 nan 0.000 0.485 127 N N -0.124 118.630 118.700 0.090 0.000 2.399 127 N HA 0.404 5.651 4.740 0.845 0.000 0.284 127 N C -0.944 174.601 175.510 0.059 0.000 1.025 127 N CA -0.475 52.644 53.050 0.114 0.000 0.885 127 N CB 1.868 40.459 38.487 0.174 0.000 1.339 127 N HN -0.094 nan 8.380 nan 0.000 0.487 128 A N 1.706 124.569 122.820 0.072 0.000 3.046 128 A HA 0.163 4.990 4.320 0.845 0.000 0.259 128 A C -0.793 176.818 177.584 0.045 0.000 1.843 128 A CA -0.156 51.909 52.037 0.046 0.000 1.451 128 A CB -0.981 18.131 19.000 0.186 0.000 1.025 128 A HN 0.784 nan 8.150 nan 0.000 0.625 129 D N 0.888 121.316 120.400 0.048 0.000 2.346 129 D HA 0.524 5.671 4.640 0.845 0.000 0.255 129 D C -0.566 175.838 176.300 0.173 0.000 1.276 129 D CA -0.089 53.988 54.000 0.128 0.000 0.941 129 D CB 1.019 41.918 40.800 0.164 0.000 1.199 129 D HN 0.510 nan 8.370 nan 0.000 0.537 130 L N -1.891 119.384 121.223 0.087 0.000 2.710 130 L HA 0.690 5.537 4.340 0.845 0.000 0.260 130 L C -1.707 175.223 176.870 0.100 0.000 0.993 130 L CA -1.159 53.748 54.840 0.112 0.000 0.877 130 L CB 2.243 44.297 42.059 -0.009 0.000 1.461 130 L HN -0.187 nan 8.230 nan 0.000 0.413 131 D N 2.262 122.732 120.400 0.118 0.000 2.210 131 D HA 0.624 5.771 4.640 0.845 0.000 0.249 131 D C -0.506 175.804 176.300 0.016 0.000 1.078 131 D CA 0.209 54.226 54.000 0.028 0.000 0.875 131 D CB 2.641 43.440 40.800 -0.002 0.000 1.175 131 D HN 0.464 nan 8.370 nan 0.000 0.440 132 I N 2.486 123.047 120.570 -0.015 0.000 2.382 132 I HA 0.205 4.882 4.170 0.845 0.000 0.286 132 I C -0.724 175.422 176.117 0.049 0.000 1.002 132 I CA -0.849 60.427 61.300 -0.039 0.000 1.135 132 I CB 0.848 38.836 38.000 -0.020 0.000 1.288 132 I HN 0.150 nan 8.210 nan 0.000 0.448 133 Y N 5.228 125.628 120.300 0.167 0.000 2.326 133 Y HA 0.403 5.462 4.550 0.848 0.000 0.337 133 Y C 0.174 176.207 175.900 0.222 0.000 1.023 133 Y CA -0.902 57.344 58.100 0.243 0.000 1.143 133 Y CB 1.561 40.228 38.460 0.344 0.000 1.183 133 Y HN 0.209 nan 8.280 nan 0.000 0.485 134 V N 5.967 126.074 119.914 0.322 0.000 2.383 134 V HA 0.295 4.922 4.120 0.845 0.000 0.275 134 V C -0.153 176.113 176.094 0.286 0.000 1.036 134 V CA -0.706 61.759 62.300 0.275 0.000 0.889 134 V CB 0.747 32.655 31.823 0.142 0.000 0.985 134 V HN 0.528 nan 8.190 nan 0.000 0.459 135 I N 4.778 125.543 120.570 0.324 0.000 2.321 135 I HA 0.381 5.058 4.170 0.845 0.000 0.291 135 I C 0.457 176.733 176.117 0.266 0.000 0.998 135 I CA -0.128 61.335 61.300 0.272 0.000 1.227 135 I CB 1.085 39.258 38.000 0.288 0.000 1.368 135 I HN 0.526 nan 8.210 nan 0.000 0.466 136 E N 4.186 124.509 120.200 0.205 0.000 2.280 136 E HA 0.805 5.662 4.350 0.845 0.000 0.264 136 E C 0.074 176.756 176.600 0.136 0.000 1.064 136 E CA -0.513 56.004 56.400 0.193 0.000 0.900 136 E CB 1.863 31.654 29.700 0.151 0.000 1.123 136 E HN 0.814 nan 8.360 nan 0.000 0.418 137 G N 0.856 109.727 108.800 0.118 0.000 2.384 137 G HA2 0.037 4.504 3.960 0.845 0.000 0.300 137 G HA3 0.037 4.504 3.960 0.845 0.000 0.300 137 G C 0.185 175.117 174.900 0.053 0.000 1.582 137 G CA -0.601 44.539 45.100 0.067 0.000 0.875 137 G HN 0.247 nan 8.290 nan 0.000 0.628 138 E N 0.269 120.485 120.200 0.027 0.000 2.002 138 E HA -0.132 4.725 4.350 0.845 0.000 0.205 138 E C 1.328 177.937 176.600 0.014 0.000 1.020 138 E CA 1.886 58.300 56.400 0.023 0.000 0.856 138 E CB -0.387 29.318 29.700 0.009 0.000 0.788 138 E HN 0.728 nan 8.360 nan 0.000 0.477 139 N N -0.721 117.972 118.700 -0.012 0.000 2.476 139 N HA 0.343 5.590 4.740 0.845 0.000 0.275 139 N C 0.528 175.993 175.510 -0.074 0.000 1.190 139 N CA 0.370 53.399 53.050 -0.034 0.000 0.977 139 N CB 0.824 39.287 38.487 -0.041 0.000 1.200 139 N HN 0.056 nan 8.380 nan 0.000 0.515 140 A N 0.008 122.757 122.820 -0.117 0.000 1.917 140 A HA -0.252 4.575 4.320 0.845 0.000 0.219 140 A C 1.828 179.210 177.584 -0.338 0.000 1.182 140 A CA 1.392 53.321 52.037 -0.179 0.000 0.633 140 A CB -1.392 17.532 19.000 -0.126 0.000 0.819 140 A HN 0.775 nan 8.150 nan 0.000 0.448 141 Y N 1.496 121.325 120.300 -0.785 0.000 2.114 141 Y HA -0.240 4.816 4.550 0.844 0.000 0.282 141 Y C 1.854 177.610 175.900 -0.240 0.000 1.165 141 Y CA 1.869 59.540 58.100 -0.715 0.000 1.148 141 Y CB -0.686 37.409 38.460 -0.608 0.000 0.972 141 Y HN 0.407 nan 8.280 nan 0.000 0.504 142 D N -0.018 120.243 120.400 -0.232 0.000 2.144 142 D HA -0.187 4.960 4.640 0.845 0.000 0.199 142 D C 2.419 178.675 176.300 -0.073 0.000 0.984 142 D CA 1.684 55.555 54.000 -0.215 0.000 0.834 142 D CB -0.436 40.288 40.800 -0.128 0.000 0.955 142 D HN 0.443 nan 8.370 nan 0.000 0.465 143 I N 0.330 120.902 120.570 0.004 0.000 2.226 143 I HA -0.229 4.448 4.170 0.845 0.000 0.245 143 I C 2.346 178.610 176.117 0.246 0.000 1.100 143 I CA 0.570 61.947 61.300 0.128 0.000 1.374 143 I CB -0.124 37.959 38.000 0.138 0.000 1.057 143 I HN -0.099 nan 8.210 nan 0.000 0.413 144 V N 0.795 120.856 119.914 0.246 0.000 2.261 144 V HA -0.297 4.330 4.120 0.845 0.000 0.246 144 V C 2.367 178.576 176.094 0.192 0.000 1.047 144 V CA 1.859 64.378 62.300 0.365 0.000 1.015 144 V CB -0.712 31.383 31.823 0.454 0.000 0.642 144 V HN 0.371 nan 8.190 nan 0.000 0.446 145 K N -0.551 119.861 120.400 0.021 0.000 2.211 145 K HA -0.214 4.613 4.320 0.845 0.000 0.204 145 K C 2.277 178.835 176.600 -0.071 0.000 1.047 145 K CA 1.346 57.581 56.287 -0.086 0.000 0.935 145 K CB -0.135 32.193 32.500 -0.288 0.000 0.728 145 K HN 0.532 nan 8.250 nan 0.000 0.452 146 Q N -0.677 119.107 119.800 -0.025 0.000 2.137 146 Q HA -0.080 4.767 4.340 0.845 0.000 0.198 146 Q C 1.767 177.750 176.000 -0.028 0.000 0.960 146 Q CA 0.831 56.622 55.803 -0.020 0.000 0.847 146 Q CB 0.026 28.781 28.738 0.029 0.000 0.915 146 Q HN 0.222 nan 8.270 nan 0.000 0.448 147 F N 1.313 121.162 119.950 -0.168 0.000 2.234 147 F HA -0.126 4.910 4.527 0.848 0.000 0.299 147 F C 2.029 177.612 175.800 -0.362 0.000 1.087 147 F CA 1.079 58.855 58.000 -0.372 0.000 1.340 147 F CB 0.138 38.696 39.000 -0.737 0.000 1.031 147 F HN -0.082 nan 8.300 nan 0.000 0.500 148 R N 0.214 120.572 120.500 -0.238 0.000 2.120 148 R HA -0.139 4.708 4.340 0.845 0.000 0.234 148 R C 2.404 178.507 176.300 -0.328 0.000 1.123 148 R CA 1.140 57.056 56.100 -0.307 0.000 0.975 148 R CB -0.844 29.373 30.300 -0.138 0.000 0.866 148 R HN 0.338 nan 8.270 nan 0.000 0.446 149 R N 0.956 121.302 120.500 -0.257 0.000 2.066 149 R HA -0.098 4.749 4.340 0.845 0.000 0.232 149 R C 2.186 178.331 176.300 -0.258 0.000 1.131 149 R CA 1.847 57.820 56.100 -0.211 0.000 0.955 149 R CB -0.116 30.094 30.300 -0.149 0.000 0.851 149 R HN 0.184 nan 8.270 nan 0.000 0.432 150 V N -0.104 119.607 119.914 -0.338 0.000 2.871 150 V HA -0.077 4.550 4.120 0.845 0.000 0.256 150 V C 2.077 177.887 176.094 -0.473 0.000 1.082 150 V CA 1.428 63.515 62.300 -0.354 0.000 1.105 150 V CB -0.772 30.862 31.823 -0.316 0.000 0.713 150 V HN 0.451 nan 8.190 nan 0.000 0.473 151 I N -0.634 119.522 120.570 -0.691 0.000 3.291 151 I HA 0.587 5.264 4.170 0.845 0.000 0.279 151 I C 1.070 177.062 176.117 -0.207 0.000 1.294 151 I CA 0.626 61.561 61.300 -0.608 0.000 1.428 151 I CB -0.985 36.416 38.000 -0.997 0.000 1.070 151 I HN 0.508 nan 8.210 nan 0.000 0.478 152 G N 2.083 110.762 108.800 -0.201 0.000 2.705 152 G HA2 -0.228 4.239 3.960 0.845 0.000 0.686 152 G HA3 -0.228 4.239 3.960 0.845 0.000 0.686 152 G C -0.264 174.597 174.900 -0.065 0.000 1.285 152 G CA -0.292 44.734 45.100 -0.123 0.000 0.800 152 G HN 0.687 nan 8.290 nan 0.000 0.611 153 R N 0.674 121.106 120.500 -0.113 0.000 2.638 153 R HA 0.285 5.133 4.340 0.845 0.000 0.268 153 R C 0.855 177.098 176.300 -0.095 0.000 1.006 153 R CA 0.549 56.581 56.100 -0.113 0.000 1.088 153 R CB 0.020 30.242 30.300 -0.131 0.000 0.950 153 R HN 0.599 nan 8.270 nan 0.000 0.419 154 S N 2.755 118.425 115.700 -0.050 0.000 2.585 154 S HA -0.027 4.950 4.470 0.845 0.000 0.273 154 S C -0.540 174.060 174.600 -0.000 0.000 1.339 154 S CA -0.447 57.761 58.200 0.012 0.000 1.028 154 S CB 0.329 63.532 63.200 0.006 0.000 0.906 154 S HN 0.490 nan 8.310 nan 0.000 0.528 155 Y N 2.244 122.518 120.300 -0.043 0.000 2.788 155 Y HA 0.199 5.213 4.550 0.774 0.000 0.341 155 Y C -0.362 175.605 175.900 0.111 0.000 1.258 155 Y CA 0.336 58.457 58.100 0.034 0.000 1.503 155 Y CB 0.106 38.630 38.460 0.107 0.000 1.325 155 Y HN 0.452 nan 8.280 nan 0.000 0.614 156 I N 8.397 128.460 120.570 -0.846 0.000 2.466 156 I HA 0.353 5.030 4.170 0.845 0.000 0.289 156 I C -2.324 173.096 176.117 -1.162 0.000 1.026 156 I CA -2.207 58.687 61.300 -0.677 0.000 1.078 156 I CB 2.170 40.017 38.000 -0.254 0.000 1.249 156 I HN 0.539 nan 8.210 nan 0.000 0.429 157 P HA 0.385 nan 4.420 nan 0.000 0.282 157 P C -2.747 174.323 177.300 -0.383 0.000 1.259 157 P CA -2.131 60.602 63.100 -0.611 0.000 0.826 157 P CB 0.344 31.576 31.700 -0.779 0.000 1.064 158 P HA 0.053 nan 4.420 nan 0.000 0.271 158 P C 0.823 177.842 177.300 -0.467 0.000 1.233 158 P CA -0.086 62.740 63.100 -0.458 0.000 0.789 158 P CB 0.894 32.187 31.700 -0.678 0.000 0.951 159 K N 0.753 120.952 120.400 -0.335 0.000 2.211 159 K HA -0.128 4.699 4.320 0.845 0.000 0.203 159 K C 1.888 178.349 176.600 -0.232 0.000 1.050 159 K CA 1.205 57.265 56.287 -0.378 0.000 0.945 159 K CB -0.578 31.569 32.500 -0.589 0.000 0.732 159 K HN 0.460 nan 8.250 nan 0.000 0.451 160 F N -0.519 119.339 119.950 -0.155 0.000 2.333 160 F HA 0.046 5.079 4.527 0.844 0.000 0.300 160 F C 1.785 177.522 175.800 -0.104 0.000 1.083 160 F CA 0.570 58.493 58.000 -0.129 0.000 1.395 160 F CB -0.891 38.030 39.000 -0.132 0.000 1.056 160 F HN -0.099 nan 8.300 nan 0.000 0.529 161 A N 0.274 122.835 122.820 -0.433 0.000 2.070 161 A HA -0.089 4.738 4.320 0.845 0.000 0.220 161 A C 1.692 179.123 177.584 -0.254 0.000 1.159 161 A CA 1.098 52.934 52.037 -0.335 0.000 0.656 161 A CB -1.545 17.054 19.000 -0.667 0.000 0.800 161 A HN 0.462 nan 8.150 nan 0.000 0.453 162 F N -0.006 119.840 119.950 -0.173 0.000 2.811 162 F HA 0.226 5.258 4.527 0.841 0.000 0.301 162 F C 1.736 177.414 175.800 -0.203 0.000 1.151 162 F CA 0.049 57.954 58.000 -0.158 0.000 1.412 162 F CB -0.169 38.689 39.000 -0.236 0.000 1.113 162 F HN 0.252 nan 8.300 nan 0.000 0.579 163 G N -0.780 108.000 108.800 -0.034 0.000 2.543 163 G HA2 0.248 4.715 3.960 0.845 0.000 0.267 163 G HA3 0.248 4.715 3.960 0.845 0.000 0.267 163 G C -1.216 173.848 174.900 0.274 0.000 1.406 163 G CA -0.353 44.742 45.100 -0.007 0.000 1.048 163 G HN -0.035 nan 8.290 nan 0.000 0.548 164 F N 0.061 120.182 119.950 0.285 0.000 2.397 164 F HA 0.688 5.723 4.527 0.846 0.000 0.331 164 F C 0.425 176.275 175.800 0.084 0.000 1.090 164 F CA -1.104 56.996 58.000 0.167 0.000 1.065 164 F CB 1.605 40.695 39.000 0.150 0.000 1.184 164 F HN 0.531 nan 8.300 nan 0.000 0.499 165 G N 3.601 112.062 108.800 -0.566 0.000 2.591 165 G HA2 0.514 4.981 3.960 0.845 0.000 0.306 165 G HA3 0.514 4.981 3.960 0.845 0.000 0.306 165 G C -2.083 172.322 174.900 -0.826 0.000 1.334 165 G CA -0.657 44.179 45.100 -0.440 0.000 0.981 165 G HN 0.755 nan 8.290 nan 0.000 0.491 166 Q N 0.031 119.547 119.800 -0.473 0.000 2.387 166 Q HA 0.835 5.682 4.340 0.845 0.000 0.273 166 Q C -0.424 175.609 176.000 0.055 0.000 1.089 166 Q CA -0.113 55.518 55.803 -0.288 0.000 0.824 166 Q CB 1.988 30.578 28.738 -0.246 0.000 1.367 166 Q HN 1.240 nan 8.270 nan 0.000 0.443 167 S N 1.706 117.408 115.700 0.004 0.000 2.565 167 S HA 0.787 5.764 4.470 0.845 0.000 0.274 167 S C -1.296 172.988 174.600 -0.527 0.000 1.144 167 S CA -0.863 57.283 58.200 -0.090 0.000 0.849 167 S CB 1.305 nan 63.200 nan 0.000 1.103 167 S HN 0.526 nan 8.310 nan 0.000 0.455 168 R N 0.958 121.004 120.500 -0.756 0.000 2.522 168 R HA 0.271 5.118 4.340 0.845 0.000 0.283 168 R C -1.635 174.355 176.300 -0.518 0.000 1.074 168 R CA -0.679 54.913 56.100 -0.846 0.000 0.925 168 R CB 1.353 31.004 30.300 -1.081 0.000 1.205 168 R HN 0.789 nan 8.270 nan 0.000 0.436 169 W N 3.399 124.482 121.300 -0.361 0.000 2.251 169 W HA 0.261 5.430 4.660 0.850 0.000 0.327 169 W C 0.618 177.046 176.519 -0.150 0.000 1.361 169 W CA 1.088 58.389 57.345 -0.072 0.000 1.234 169 W CB 0.351 29.844 29.460 0.054 0.000 1.212 169 W HN 0.909 nan 8.180 nan 0.000 0.557 170 G N 4.439 113.568 108.800 0.548 0.000 2.231 170 G HA2 -0.270 4.198 3.960 0.845 0.000 0.206 170 G HA3 -0.270 4.198 3.960 0.845 0.000 0.206 170 G C -0.223 174.807 174.900 0.216 0.000 0.996 170 G CA -0.202 45.088 45.100 0.317 0.000 0.645 170 G HN 0.462 nan 8.290 nan 0.000 0.498 171 Y N 1.783 122.131 120.300 0.080 0.000 2.620 171 Y HA 0.453 5.509 4.550 0.843 0.000 0.330 171 Y C 1.792 177.751 175.900 0.097 0.000 1.186 171 Y CA 1.064 59.104 58.100 -0.100 0.000 1.467 171 Y CB 1.006 39.218 38.460 -0.414 0.000 1.262 171 Y HN 0.121 nan 8.280 nan 0.000 0.550 172 T N -0.757 113.953 114.554 0.260 0.000 3.340 172 T HA 0.070 4.927 4.350 0.845 0.000 0.272 172 T C 0.192 175.100 174.700 0.346 0.000 0.965 172 T CA 0.301 62.594 62.100 0.321 0.000 1.040 172 T CB 0.240 69.202 68.868 0.156 0.000 1.183 172 T HN 0.525 nan 8.240 nan 0.000 0.478 173 T N 1.368 116.006 114.554 0.140 0.000 2.902 173 T HA 0.524 5.381 4.350 0.845 0.000 0.283 173 T C 0.749 175.500 174.700 0.086 0.000 1.009 173 T CA -0.817 61.242 62.100 -0.069 0.000 1.051 173 T CB 2.482 71.280 68.868 -0.118 0.000 0.999 173 T HN -0.033 nan 8.240 nan 0.000 0.474 174 K N 0.952 121.202 120.400 -0.251 0.000 2.081 174 K HA -0.281 4.546 4.320 0.845 0.000 0.222 174 K C 2.234 178.884 176.600 0.084 0.000 1.055 174 K CA 2.343 58.491 56.287 -0.232 0.000 0.954 174 K CB -0.236 31.915 32.500 -0.582 0.000 0.732 174 K HN 0.679 nan 8.250 nan 0.000 0.458 175 E N 1.042 121.223 120.200 -0.032 0.000 2.114 175 E HA -0.243 4.614 4.350 0.845 0.000 0.199 175 E C 1.673 178.251 176.600 -0.037 0.000 1.008 175 E CA 1.672 58.062 56.400 -0.017 0.000 0.810 175 E CB -0.524 29.149 29.700 -0.046 0.000 0.739 175 E HN 0.427 nan 8.360 nan 0.000 0.456 176 D N 0.317 120.643 120.400 -0.124 0.000 2.077 176 D HA -0.120 5.027 4.640 0.845 0.000 0.193 176 D C 1.988 177.985 176.300 -0.505 0.000 0.989 176 D CA 0.916 54.687 54.000 -0.381 0.000 0.831 176 D CB -0.677 39.754 40.800 -0.614 0.000 0.979 176 D HN 0.151 nan 8.370 nan 0.000 0.449 177 F N 1.107 120.916 119.950 -0.235 0.000 2.043 177 F HA -0.166 4.869 4.527 0.846 0.000 0.297 177 F C 2.615 178.416 175.800 0.001 0.000 1.121 177 F CA 1.287 59.230 58.000 -0.096 0.000 1.199 177 F CB -0.703 38.438 39.000 0.234 0.000 0.968 177 F HN -0.161 nan 8.300 nan 0.000 0.478 178 R N 0.154 120.833 120.500 0.298 0.000 2.140 178 R HA -0.247 4.600 4.340 0.845 0.000 0.250 178 R C 2.395 178.743 176.300 0.080 0.000 1.150 178 R CA 1.448 57.657 56.100 0.181 0.000 0.966 178 R CB -0.905 29.498 30.300 0.173 0.000 0.869 178 R HN 0.374 nan 8.270 nan 0.000 0.445 179 A N 0.301 123.138 122.820 0.028 0.000 1.883 179 A HA -0.144 4.684 4.320 0.845 0.000 0.217 179 A C 2.336 179.937 177.584 0.028 0.000 1.186 179 A CA 1.759 53.799 52.037 0.005 0.000 0.624 179 A CB -0.553 18.428 19.000 -0.031 0.000 0.822 179 A HN 0.145 nan 8.150 nan 0.000 0.444 180 V N -0.054 119.878 119.914 0.029 0.000 2.270 180 V HA -0.217 4.410 4.120 0.845 0.000 0.245 180 V C 3.023 179.246 176.094 0.216 0.000 1.043 180 V CA 1.817 64.202 62.300 0.141 0.000 1.014 180 V CB -1.644 30.250 31.823 0.118 0.000 0.645 180 V HN 0.634 nan 8.190 nan 0.000 0.447 181 A N 0.372 123.269 122.820 0.128 0.000 1.870 181 A HA -0.391 4.436 4.320 0.845 0.000 0.219 181 A C 2.357 179.991 177.584 0.083 0.000 1.224 181 A CA 2.910 55.000 52.037 0.088 0.000 0.650 181 A CB -0.807 18.215 19.000 0.038 0.000 0.836 181 A HN 0.521 nan 8.150 nan 0.000 0.454 182 K N -0.849 119.581 120.400 0.050 0.000 2.020 182 K HA -0.171 4.656 4.320 0.845 0.000 0.212 182 K C 2.097 178.699 176.600 0.003 0.000 1.050 182 K CA 1.799 58.096 56.287 0.016 0.000 0.929 182 K CB -0.765 31.743 32.500 0.013 0.000 0.714 182 K HN 0.439 nan 8.250 nan 0.000 0.443 183 G N 0.335 109.144 108.800 0.016 0.000 2.628 183 G HA2 -0.298 4.169 3.960 0.845 0.000 0.217 183 G HA3 -0.298 4.169 3.960 0.845 0.000 0.217 183 G C 1.320 176.171 174.900 -0.081 0.000 1.240 183 G CA 1.404 46.474 45.100 -0.049 0.000 0.792 183 G HN 0.402 nan 8.290 nan 0.000 0.593 184 Y N 0.826 121.129 120.300 0.005 0.000 2.207 184 Y HA -0.084 4.975 4.550 0.848 0.000 0.287 184 Y C 3.186 179.044 175.900 -0.070 0.000 1.156 184 Y CA 1.615 59.718 58.100 0.005 0.000 1.182 184 Y CB 0.008 38.492 38.460 0.041 0.000 0.979 184 Y HN 0.017 nan 8.280 nan 0.000 0.521 185 R N 0.160 120.680 120.500 0.034 0.000 2.075 185 R HA -0.061 4.786 4.340 0.845 0.000 0.226 185 R C 1.907 177.980 176.300 -0.377 0.000 1.114 185 R CA 1.081 57.113 56.100 -0.113 0.000 0.972 185 R CB -0.411 29.852 30.300 -0.062 0.000 0.869 185 R HN 0.496 nan 8.270 nan 0.000 0.437 186 E N 0.547 120.590 120.200 -0.262 0.000 2.150 186 E HA -0.108 4.749 4.350 0.845 0.000 0.193 186 E C 0.959 177.386 176.600 -0.288 0.000 0.985 186 E CA 0.891 57.113 56.400 -0.296 0.000 0.814 186 E CB -0.154 29.486 29.700 -0.101 0.000 0.752 186 E HN 0.453 nan 8.360 nan 0.000 0.466 187 N N 0.060 118.667 118.700 -0.154 0.000 2.322 187 N HA -0.001 5.246 4.740 0.845 0.000 0.194 187 N C -0.571 175.003 175.510 0.106 0.000 1.126 187 N CA -0.051 53.008 53.050 0.014 0.000 0.845 187 N CB 0.248 38.733 38.487 -0.004 0.000 0.976 187 N HN 0.177 nan 8.380 nan 0.000 0.475 188 H N -0.973 118.121 119.070 0.041 0.000 2.822 188 H HA -0.172 4.891 4.556 0.845 0.000 0.295 188 H C -0.320 175.036 175.328 0.046 0.000 1.151 188 H CA 0.545 56.616 56.048 0.039 0.000 1.151 188 H CB -2.098 27.675 29.762 0.018 0.000 1.343 188 H HN 0.341 nan 8.280 nan 0.000 0.382 189 I N 2.386 123.048 120.570 0.153 0.000 2.496 189 I HA 0.115 4.792 4.170 0.845 0.000 0.285 189 I C -1.747 174.478 176.117 0.180 0.000 1.080 189 I CA -1.576 59.834 61.300 0.183 0.000 1.404 189 I CB 0.576 38.734 38.000 0.263 0.000 1.403 189 I HN -0.189 nan 8.210 nan 0.000 0.539 190 P HA 0.257 nan 4.420 nan 0.000 0.268 190 P C -0.608 176.635 177.300 -0.095 0.000 1.204 190 P CA 0.161 63.090 63.100 -0.285 0.000 0.768 190 P CB 0.760 31.922 31.700 -0.897 0.000 0.842 191 I N 1.298 121.834 120.570 -0.057 0.000 2.984 191 I HA 0.300 4.977 4.170 0.845 0.000 0.303 191 I C -0.741 175.406 176.117 0.050 0.000 1.381 191 I CA -0.437 60.872 61.300 0.015 0.000 0.988 191 I CB 2.669 40.488 38.000 -0.301 0.000 1.307 191 I HN 0.184 nan 8.210 nan 0.000 0.460 192 D N 4.223 124.645 120.400 0.037 0.000 2.335 192 D HA 0.307 5.454 4.640 0.845 0.000 0.284 192 D C -0.614 175.608 176.300 -0.131 0.000 1.096 192 D CA 0.416 54.419 54.000 0.006 0.000 0.844 192 D CB 1.132 42.016 40.800 0.140 0.000 1.454 192 D HN 0.364 nan 8.370 nan 0.000 0.526 193 M N 1.087 120.577 119.600 -0.183 0.000 2.446 193 M HA 0.447 5.434 4.480 0.845 0.000 0.294 193 M C -1.282 174.807 176.300 -0.351 0.000 1.158 193 M CA -0.382 54.729 55.300 -0.316 0.000 0.899 193 M CB 3.608 35.983 32.600 -0.375 0.000 1.687 193 M HN -0.259 nan 8.290 nan 0.000 0.455 194 I N 2.543 122.914 120.570 -0.332 0.000 2.439 194 I HA 0.354 5.031 4.170 0.845 0.000 0.283 194 I C -1.334 174.749 176.117 -0.057 0.000 1.023 194 I CA -0.574 60.661 61.300 -0.109 0.000 1.100 194 I CB 1.235 39.251 38.000 0.028 0.000 1.238 194 I HN 0.571 nan 8.210 nan 0.000 0.445 195 Y N 6.024 126.402 120.300 0.130 0.000 2.309 195 Y HA 0.360 5.415 4.550 0.841 0.000 0.327 195 Y C 0.357 176.532 175.900 0.457 0.000 1.172 195 Y CA -0.135 58.087 58.100 0.203 0.000 1.280 195 Y CB 0.914 39.370 38.460 -0.006 0.000 1.234 195 Y HN 0.404 nan 8.280 nan 0.000 0.512 196 M N 3.478 123.443 119.600 0.609 0.000 2.066 196 M HA 0.179 5.166 4.480 0.845 0.000 0.340 196 M C -0.689 175.959 176.300 0.581 0.000 1.053 196 M CA -0.453 55.166 55.300 0.532 0.000 0.983 196 M CB 0.713 33.288 32.600 -0.042 0.000 1.520 196 M HN 0.638 nan 8.290 nan 0.000 0.428 197 D N 1.825 122.572 120.400 0.578 0.000 2.433 197 D HA 0.212 5.360 4.640 0.845 0.000 0.255 197 D C 1.249 177.642 176.300 0.154 0.000 1.226 197 D CA -0.275 53.888 54.000 0.271 0.000 1.015 197 D CB 0.883 41.802 40.800 0.197 0.000 1.091 197 D HN 0.661 nan 8.370 nan 0.000 0.527 198 I N -1.656 118.784 120.570 -0.217 0.000 2.530 198 I HA -0.179 4.499 4.170 0.845 0.000 0.257 198 I C 1.145 177.163 176.117 -0.165 0.000 1.179 198 I CA 1.058 62.213 61.300 -0.242 0.000 1.440 198 I CB -0.186 37.598 38.000 -0.360 0.000 1.087 198 I HN 0.092 nan 8.210 nan 0.000 0.440 199 D N 1.258 121.634 120.400 -0.039 0.000 2.311 199 D HA -0.203 4.944 4.640 0.845 0.000 0.212 199 D C 1.889 178.219 176.300 0.049 0.000 0.972 199 D CA 1.436 55.442 54.000 0.010 0.000 0.887 199 D CB -0.156 40.745 40.800 0.167 0.000 0.915 199 D HN 0.803 nan 8.370 nan 0.000 0.497 200 Y N -0.662 119.696 120.300 0.096 0.000 2.561 200 Y HA 0.192 5.249 4.550 0.844 0.000 0.291 200 Y C 1.026 176.894 175.900 -0.053 0.000 1.141 200 Y CA -0.224 57.950 58.100 0.123 0.000 1.303 200 Y CB -0.381 38.120 38.460 0.068 0.000 1.015 200 Y HN -0.202 nan 8.280 nan 0.000 0.547 201 M N 0.629 119.753 119.600 -0.794 0.000 2.154 201 M HA 0.179 5.166 4.480 0.845 0.000 0.251 201 M C -0.225 175.835 176.300 -0.400 0.000 1.200 201 M CA -0.721 54.154 55.300 -0.708 0.000 0.967 201 M CB 0.450 32.604 32.600 -0.742 0.000 1.362 201 M HN -0.040 nan 8.290 nan 0.000 0.522 202 Q N 1.397 120.995 119.800 -0.338 0.000 2.509 202 Q HA 0.137 4.984 4.340 0.845 0.000 0.230 202 Q C -1.413 174.397 176.000 -0.315 0.000 1.089 202 Q CA 0.173 55.816 55.803 -0.267 0.000 0.901 202 Q CB -0.242 28.384 28.738 -0.186 0.000 1.208 202 Q HN 0.543 nan 8.270 nan 0.000 0.529 203 D N 4.061 124.223 120.400 -0.396 0.000 2.800 203 D HA -0.258 4.889 4.640 0.845 0.000 0.232 203 D C -0.751 175.424 176.300 -0.208 0.000 1.137 203 D CA 1.110 54.895 54.000 -0.358 0.000 0.718 203 D CB -1.244 39.440 40.800 -0.194 0.000 1.084 203 D HN 0.747 nan 8.370 nan 0.000 0.432 204 F N -2.516 117.317 119.950 -0.195 0.000 2.988 204 F HA -0.284 4.749 4.527 0.843 0.000 0.287 204 F C 0.932 176.594 175.800 -0.229 0.000 0.781 204 F CA 0.768 58.645 58.000 -0.205 0.000 1.221 204 F CB -1.844 37.102 39.000 -0.091 0.000 1.392 204 F HN 0.066 nan 8.300 nan 0.000 0.425 205 K N 1.415 121.702 120.400 -0.187 0.000 2.316 205 K HA 0.173 5.000 4.320 0.845 0.000 0.289 205 K C 0.204 176.734 176.600 -0.117 0.000 1.070 205 K CA -0.721 55.431 56.287 -0.226 0.000 0.928 205 K CB 0.468 32.636 32.500 -0.554 0.000 1.039 205 K HN -0.033 nan 8.250 nan 0.000 0.480 206 D N 2.177 122.574 120.400 -0.006 0.000 2.583 206 D HA -0.117 5.031 4.640 0.845 0.000 0.232 206 D C 0.300 176.506 176.300 -0.156 0.000 1.128 206 D CA 0.892 54.756 54.000 -0.227 0.000 0.859 206 D CB 0.049 40.743 40.800 -0.176 0.000 1.169 206 D HN 0.460 nan 8.370 nan 0.000 0.481 207 F N -1.494 118.369 119.950 -0.145 0.000 2.884 207 F HA -0.275 4.753 4.527 0.835 0.000 0.294 207 F C 1.070 176.625 175.800 -0.408 0.000 0.723 207 F CA 0.847 58.699 58.000 -0.247 0.000 1.294 207 F CB -2.523 36.255 39.000 -0.369 0.000 1.551 207 F HN 0.316 nan 8.300 nan 0.000 0.363 208 T N -1.792 112.667 114.554 -0.159 0.000 2.949 208 T HA 0.887 5.744 4.350 0.845 0.000 0.287 208 T C -0.136 174.497 174.700 -0.112 0.000 1.034 208 T CA -0.230 61.755 62.100 -0.192 0.000 1.018 208 T CB 2.649 71.425 68.868 -0.154 0.000 1.135 208 T HN 0.767 nan 8.240 nan 0.000 0.532 209 V N -0.638 119.240 119.914 -0.060 0.000 2.914 209 V HA 0.589 5.217 4.120 0.845 0.000 0.314 209 V C 0.016 176.070 176.094 -0.068 0.000 1.084 209 V CA -1.327 60.879 62.300 -0.157 0.000 0.963 209 V CB 1.761 33.332 31.823 -0.419 0.000 1.025 209 V HN 0.981 nan 8.190 nan 0.000 0.432 210 N N 3.165 121.868 118.700 0.004 0.000 2.410 210 N HA -0.016 5.231 4.740 0.845 0.000 0.281 210 N C 1.430 177.011 175.510 0.118 0.000 1.241 210 N CA 0.623 53.714 53.050 0.069 0.000 0.998 210 N CB 0.641 39.209 38.487 0.135 0.000 1.376 210 N HN 1.014 nan 8.380 nan 0.000 0.490 211 E N 2.381 122.615 120.200 0.056 0.000 2.219 211 E HA -0.256 4.601 4.350 0.845 0.000 0.198 211 E C 1.002 177.630 176.600 0.048 0.000 0.998 211 E CA 1.043 57.483 56.400 0.067 0.000 0.818 211 E CB 0.095 29.824 29.700 0.047 0.000 0.741 211 E HN 0.452 nan 8.360 nan 0.000 0.477 212 K N 0.559 120.966 120.400 0.013 0.000 2.067 212 K HA -0.026 4.801 4.320 0.845 0.000 0.203 212 K C 1.684 178.240 176.600 -0.073 0.000 1.048 212 K CA 0.847 57.120 56.287 -0.024 0.000 0.954 212 K CB 0.084 32.561 32.500 -0.038 0.000 0.737 212 K HN 0.063 nan 8.250 nan 0.000 0.444 213 N N -0.136 118.494 118.700 -0.117 0.000 2.354 213 N HA -0.045 5.202 4.740 0.845 0.000 0.179 213 N C -0.300 174.846 175.510 -0.606 0.000 1.021 213 N CA 0.734 53.566 53.050 -0.362 0.000 0.887 213 N CB 0.201 38.422 38.487 -0.443 0.000 0.974 213 N HN 0.011 nan 8.380 nan 0.000 0.437 214 F N -0.232 119.699 119.950 -0.031 0.000 2.564 214 F HA 0.377 5.414 4.527 0.850 0.000 0.368 214 F C -1.739 174.090 175.800 0.048 0.000 1.127 214 F CA -1.794 56.214 58.000 0.013 0.000 1.170 214 F CB 2.147 41.189 39.000 0.070 0.000 1.397 214 F HN -0.144 nan 8.300 nan 0.000 0.493 215 P HA -0.078 nan 4.420 nan 0.000 0.218 215 P C 0.191 177.585 177.300 0.156 0.000 1.152 215 P CA 1.133 64.304 63.100 0.118 0.000 0.826 215 P CB 0.442 32.175 31.700 0.054 0.000 0.790 216 D N -1.322 119.186 120.400 0.179 0.000 2.483 216 D HA 0.103 5.250 4.640 0.845 0.000 0.281 216 D C 0.326 176.778 176.300 0.254 0.000 1.174 216 D CA -0.803 53.301 54.000 0.174 0.000 0.938 216 D CB -0.271 40.594 40.800 0.108 0.000 1.002 216 D HN -0.209 nan 8.370 nan 0.000 0.501 217 F N 3.448 123.464 119.950 0.110 0.000 2.060 217 F HA 0.062 5.093 4.527 0.840 0.000 0.295 217 F C -0.997 174.839 175.800 0.060 0.000 1.120 217 F CA 0.637 58.703 58.000 0.110 0.000 1.205 217 F CB -0.986 38.031 39.000 0.027 0.000 0.986 217 F HN 0.261 nan 8.300 nan 0.000 0.470 218 P HA -0.201 nan 4.420 nan 0.000 0.219 218 P C 1.370 178.569 177.300 -0.168 0.000 1.146 218 P CA 1.790 64.779 63.100 -0.185 0.000 0.808 218 P CB -0.195 31.454 31.700 -0.085 0.000 0.779 219 E N -1.784 118.381 120.200 -0.058 0.000 2.152 219 E HA -0.162 4.695 4.350 0.845 0.000 0.192 219 E C 1.575 178.164 176.600 -0.019 0.000 0.983 219 E CA 0.586 56.970 56.400 -0.028 0.000 0.818 219 E CB -0.341 29.379 29.700 0.032 0.000 0.758 219 E HN 0.143 nan 8.360 nan 0.000 0.467 220 F N 0.317 120.163 119.950 -0.173 0.000 2.335 220 F HA -0.053 4.982 4.527 0.845 0.000 0.296 220 F C 1.826 177.428 175.800 -0.330 0.000 1.091 220 F CA 0.628 58.522 58.000 -0.176 0.000 1.399 220 F CB -0.100 38.882 39.000 -0.030 0.000 1.067 220 F HN -0.149 nan 8.300 nan 0.000 0.520 221 V N 0.809 120.348 119.914 -0.625 0.000 2.407 221 V HA -0.290 4.337 4.120 0.845 0.000 0.248 221 V C 2.559 178.359 176.094 -0.489 0.000 1.055 221 V CA 2.078 63.961 62.300 -0.696 0.000 1.049 221 V CB -0.755 30.637 31.823 -0.719 0.000 0.662 221 V HN 0.263 nan 8.190 nan 0.000 0.455 222 K N 0.074 120.262 120.400 -0.353 0.000 2.097 222 K HA -0.254 4.573 4.320 0.845 0.000 0.206 222 K C 2.242 178.693 176.600 -0.248 0.000 1.049 222 K CA 1.894 58.029 56.287 -0.252 0.000 0.933 222 K CB -0.061 32.338 32.500 -0.169 0.000 0.717 222 K HN 0.631 nan 8.250 nan 0.000 0.442 223 E N 0.015 120.052 120.200 -0.273 0.000 2.058 223 E HA -0.206 4.651 4.350 0.845 0.000 0.194 223 E C 1.981 178.406 176.600 -0.292 0.000 0.997 223 E CA 1.274 57.535 56.400 -0.233 0.000 0.801 223 E CB 0.078 29.667 29.700 -0.185 0.000 0.746 223 E HN 0.181 nan 8.360 nan 0.000 0.450 224 M N 0.594 119.918 119.600 -0.461 0.000 2.132 224 M HA -0.094 4.893 4.480 0.845 0.000 0.263 224 M C 2.269 178.377 176.300 -0.321 0.000 1.065 224 M CA 1.347 56.394 55.300 -0.422 0.000 1.122 224 M CB -0.755 31.494 32.600 -0.584 0.000 1.365 224 M HN 0.052 nan 8.290 nan 0.000 0.411 225 K N 0.287 120.490 120.400 -0.328 0.000 2.283 225 K HA -0.152 4.675 4.320 0.845 0.000 0.202 225 K C 0.772 177.247 176.600 -0.207 0.000 1.048 225 K CA 0.972 57.091 56.287 -0.281 0.000 0.948 225 K CB 0.086 32.414 32.500 -0.287 0.000 0.742 225 K HN 0.236 nan 8.250 nan 0.000 0.458 226 D N 0.448 120.739 120.400 -0.182 0.000 2.363 226 D HA -0.064 5.083 4.640 0.845 0.000 0.220 226 D C 0.552 176.785 176.300 -0.111 0.000 0.994 226 D CA 0.792 54.714 54.000 -0.130 0.000 0.890 226 D CB 0.329 41.063 40.800 -0.111 0.000 0.906 226 D HN 0.255 nan 8.370 nan 0.000 0.530 227 Q N 0.286 120.008 119.800 -0.131 0.000 2.175 227 Q HA 0.064 4.911 4.340 0.845 0.000 0.225 227 Q C -0.520 175.413 176.000 -0.112 0.000 0.837 227 Q CA -0.183 55.557 55.803 -0.103 0.000 1.032 227 Q CB 0.751 29.430 28.738 -0.098 0.000 1.137 227 Q HN -0.069 nan 8.270 nan 0.000 0.483 228 E N 0.216 120.336 120.200 -0.134 0.000 2.269 228 E HA -0.223 4.634 4.350 0.845 0.000 0.223 228 E C -1.016 175.473 176.600 -0.184 0.000 1.244 228 E CA 0.892 57.203 56.400 -0.148 0.000 0.713 228 E CB -1.478 28.171 29.700 -0.084 0.000 1.178 228 E HN 0.438 nan 8.360 nan 0.000 0.370 229 L N 0.901 121.982 121.223 -0.238 0.000 2.433 229 L HA 0.349 5.196 4.340 0.845 0.000 0.256 229 L C 0.469 177.125 176.870 -0.358 0.000 1.063 229 L CA -0.760 53.920 54.840 -0.265 0.000 0.922 229 L CB 0.926 42.856 42.059 -0.216 0.000 1.238 229 L HN -0.196 nan 8.230 nan 0.000 0.466 230 R N 2.126 122.361 120.500 -0.443 0.000 2.484 230 R HA 0.263 5.111 4.340 0.845 0.000 0.293 230 R C -0.364 175.681 176.300 -0.424 0.000 1.023 230 R CA 0.222 56.012 56.100 -0.517 0.000 1.037 230 R CB 0.282 30.101 30.300 -0.802 0.000 0.951 230 R HN 0.455 nan 8.270 nan 0.000 0.418 231 L N 4.339 125.315 121.223 -0.412 0.000 2.349 231 L HA 0.265 5.112 4.340 0.845 0.000 0.275 231 L C 0.042 176.712 176.870 -0.334 0.000 1.115 231 L CA -0.203 54.420 54.840 -0.362 0.000 0.820 231 L CB 0.722 42.542 42.059 -0.398 0.000 1.135 231 L HN 0.501 nan 8.230 nan 0.000 0.445 232 I N 4.717 125.125 120.570 -0.271 0.000 2.595 232 I HA 0.281 4.959 4.170 0.845 0.000 0.275 232 I C -2.263 173.884 176.117 0.049 0.000 1.092 232 I CA -2.010 59.189 61.300 -0.168 0.000 1.145 232 I CB 1.015 38.864 38.000 -0.250 0.000 1.276 232 I HN 0.242 nan 8.210 nan 0.000 0.497 233 P HA 0.339 nan 4.420 nan 0.000 0.276 233 P C -0.024 177.264 177.300 -0.020 0.000 1.244 233 P CA -0.384 62.546 63.100 -0.283 0.000 0.801 233 P CB 2.022 33.259 31.700 -0.772 0.000 1.006 234 I N 1.738 122.226 120.570 -0.137 0.000 2.677 234 I HA 0.340 5.017 4.170 0.845 0.000 0.305 234 I C -0.449 175.555 176.117 -0.188 0.000 0.988 234 I CA -0.846 60.101 61.300 -0.588 0.000 1.260 234 I CB 0.551 37.827 38.000 -1.208 0.000 1.410 234 I HN 0.101 nan 8.210 nan 0.000 0.523 235 I N 5.061 125.480 120.570 -0.253 0.000 2.534 235 I HA 0.322 4.999 4.170 0.845 0.000 0.288 235 I C -1.135 174.921 176.117 -0.102 0.000 1.077 235 I CA -0.577 60.612 61.300 -0.185 0.000 1.051 235 I CB 1.558 39.443 38.000 -0.192 0.000 1.234 235 I HN 0.441 nan 8.210 nan 0.000 0.425 236 D N 3.350 123.709 120.400 -0.067 0.000 2.229 236 D HA 0.514 5.661 4.640 0.845 0.000 0.249 236 D C 0.976 177.366 176.300 0.151 0.000 1.027 236 D CA -0.288 53.741 54.000 0.049 0.000 0.923 236 D CB 2.272 43.111 40.800 0.066 0.000 1.174 236 D HN 0.607 nan 8.370 nan 0.000 0.443 237 A N 1.851 124.793 122.820 0.204 0.000 1.883 237 A HA 0.064 4.891 4.320 0.845 0.000 0.217 237 A C 1.362 179.160 177.584 0.355 0.000 1.186 237 A CA 1.476 53.679 52.037 0.276 0.000 0.624 237 A CB -0.941 18.250 19.000 0.319 0.000 0.822 237 A HN 0.532 nan 8.150 nan 0.000 0.444 238 G N -0.661 108.341 108.800 0.337 0.000 2.398 238 G HA2 0.431 4.898 3.960 0.845 0.000 0.246 238 G HA3 0.431 4.898 3.960 0.845 0.000 0.246 238 G C -0.551 174.421 174.900 0.119 0.000 1.289 238 G CA -0.096 45.120 45.100 0.193 0.000 0.869 238 G HN 0.309 nan 8.290 nan 0.000 0.543 239 V N 3.575 123.540 119.914 0.085 0.000 2.334 239 V HA 0.201 4.828 4.120 0.845 0.000 0.281 239 V C 0.574 176.718 176.094 0.083 0.000 1.016 239 V CA -1.052 61.379 62.300 0.217 0.000 0.832 239 V CB 1.105 33.208 31.823 0.467 0.000 0.999 239 V HN 0.969 nan 8.190 nan 0.000 0.439 240 K N 4.363 124.848 120.400 0.141 0.000 2.569 240 K HA 0.017 4.844 4.320 0.845 0.000 0.280 240 K C -0.489 176.096 176.600 -0.025 0.000 0.984 240 K CA 0.211 56.492 56.287 -0.010 0.000 1.064 240 K CB 0.522 32.977 32.500 -0.075 0.000 0.866 240 K HN 0.413 nan 8.250 nan 0.000 0.492 241 V N 5.261 125.006 119.914 -0.282 0.000 2.372 241 V HA 0.162 4.789 4.120 0.845 0.000 0.261 241 V C -0.132 175.672 176.094 -0.483 0.000 1.055 241 V CA 0.177 62.183 62.300 -0.490 0.000 0.930 241 V CB 0.100 31.612 31.823 -0.519 0.000 1.031 241 V HN 0.862 nan 8.190 nan 0.000 0.479 242 E N 3.524 123.337 120.200 -0.645 0.000 2.321 242 E HA 0.365 5.222 4.350 0.845 0.000 0.281 242 E C -1.034 175.430 176.600 -0.226 0.000 0.910 242 E CA -1.017 55.189 56.400 -0.323 0.000 0.770 242 E CB 1.738 31.363 29.700 -0.126 0.000 1.225 242 E HN 0.439 nan 8.360 nan 0.000 0.417 243 K N 1.107 121.443 120.400 -0.107 0.000 2.402 243 K HA 0.282 5.109 4.320 0.845 0.000 0.285 243 K C 0.745 177.420 176.600 0.125 0.000 1.054 243 K CA 1.596 57.918 56.287 0.058 0.000 1.001 243 K CB 0.503 33.024 32.500 0.034 0.000 0.946 243 K HN 0.733 nan 8.250 nan 0.000 0.473 244 G N 2.971 111.895 108.800 0.207 0.000 2.176 244 G HA2 -0.303 4.165 3.960 0.845 0.000 0.253 244 G HA3 -0.303 4.165 3.960 0.845 0.000 0.253 244 G C -0.509 174.537 174.900 0.243 0.000 0.979 244 G CA 0.182 45.390 45.100 0.181 0.000 0.641 244 G HN 0.592 nan 8.290 nan 0.000 0.530 245 Y N 2.306 122.692 120.300 0.144 0.000 2.496 245 Y HA 0.445 5.501 4.550 0.844 0.000 0.334 245 Y C 1.357 177.381 175.900 0.206 0.000 1.080 245 Y CA -0.260 57.927 58.100 0.146 0.000 1.355 245 Y CB 0.736 39.273 38.460 0.129 0.000 1.193 245 Y HN 0.308 nan 8.280 nan 0.000 0.523 246 E N 3.320 123.601 120.200 0.136 0.000 2.118 246 E HA -0.141 4.716 4.350 0.845 0.000 0.195 246 E C 1.358 177.889 176.600 -0.116 0.000 0.992 246 E CA 1.915 58.318 56.400 0.005 0.000 0.804 246 E CB 0.291 30.012 29.700 0.035 0.000 0.741 246 E HN 0.671 nan 8.360 nan 0.000 0.458 247 V N 0.263 119.917 119.914 -0.434 0.000 2.878 247 V HA -0.160 4.467 4.120 0.845 0.000 0.250 247 V C 2.037 178.135 176.094 0.007 0.000 1.075 247 V CA 1.223 63.410 62.300 -0.188 0.000 1.096 247 V CB -0.740 30.979 31.823 -0.173 0.000 0.724 247 V HN 0.299 nan 8.190 nan 0.000 0.467 248 Y N 1.738 121.789 120.300 -0.414 0.000 2.145 248 Y HA -0.189 4.868 4.550 0.844 0.000 0.286 248 Y C 2.567 178.560 175.900 0.155 0.000 1.145 248 Y CA 1.915 60.074 58.100 0.099 0.000 1.148 248 Y CB -0.034 38.528 38.460 0.169 0.000 0.981 248 Y HN 0.183 nan 8.280 nan 0.000 0.507 249 E N 0.741 120.941 120.200 -0.001 0.000 2.017 249 E HA -0.215 4.642 4.350 0.845 0.000 0.193 249 E C 2.120 178.620 176.600 -0.167 0.000 0.997 249 E CA 1.795 58.144 56.400 -0.086 0.000 0.804 249 E CB -0.459 29.267 29.700 0.042 0.000 0.757 249 E HN 0.662 nan 8.360 nan 0.000 0.448 250 E N -0.050 120.104 120.200 -0.078 0.000 2.038 250 E HA -0.149 4.708 4.350 0.845 0.000 0.195 250 E C 2.126 178.475 176.600 -0.419 0.000 1.000 250 E CA 1.169 57.487 56.400 -0.137 0.000 0.803 250 E CB -0.433 29.349 29.700 0.137 0.000 0.750 250 E HN 0.352 nan 8.360 nan 0.000 0.448 251 G N 0.442 109.036 108.800 -0.344 0.000 2.469 251 G HA2 -0.270 4.197 3.960 0.845 0.000 0.220 251 G HA3 -0.270 4.197 3.960 0.845 0.000 0.220 251 G C 1.675 176.123 174.900 -0.754 0.000 1.136 251 G CA 0.973 45.548 45.100 -0.876 0.000 0.759 251 G HN 0.150 nan 8.290 nan 0.000 0.562 252 V N 0.591 120.244 119.914 -0.434 0.000 2.379 252 V HA -0.033 4.594 4.120 0.845 0.000 0.243 252 V C 2.566 178.454 176.094 -0.344 0.000 1.035 252 V CA 2.106 64.201 62.300 -0.340 0.000 1.035 252 V CB -0.114 31.447 31.823 -0.438 0.000 0.673 252 V HN 0.449 nan 8.190 nan 0.000 0.457 253 K N 2.544 122.731 120.400 -0.353 0.000 1.975 253 K HA -0.226 4.602 4.320 0.845 0.000 0.225 253 K C 1.292 177.657 176.600 -0.391 0.000 1.050 253 K CA 2.532 58.632 56.287 -0.312 0.000 0.992 253 K CB -0.788 31.547 32.500 -0.275 0.000 0.738 253 K HN 0.704 nan 8.250 nan 0.000 0.446 254 N N 0.484 118.833 118.700 -0.585 0.000 2.410 254 N HA 0.003 5.250 4.740 0.845 0.000 0.231 254 N C -0.748 174.209 175.510 -0.922 0.000 1.172 254 N CA 0.349 52.961 53.050 -0.730 0.000 0.849 254 N CB -0.242 37.731 38.487 -0.857 0.000 1.116 254 N HN 0.246 nan 8.380 nan 0.000 0.485 255 N N -0.123 118.195 118.700 -0.637 0.000 2.758 255 N HA -0.196 5.051 4.740 0.845 0.000 0.248 255 N C -0.799 174.515 175.510 -0.326 0.000 1.076 255 N CA 0.534 53.344 53.050 -0.400 0.000 0.696 255 N CB -1.593 36.744 38.487 -0.251 0.000 0.979 255 N HN 0.473 nan 8.380 nan 0.000 0.550 256 Y N -1.408 118.564 120.300 -0.547 0.000 2.482 256 Y HA 0.299 5.361 4.550 0.853 0.000 0.270 256 Y C 0.636 176.289 175.900 -0.412 0.000 1.152 256 Y CA -0.203 57.529 58.100 -0.614 0.000 1.292 256 Y CB 0.179 37.875 38.460 -1.273 0.000 1.070 256 Y HN 0.069 nan 8.280 nan 0.000 0.528 257 F N -1.318 118.663 119.950 0.053 0.000 2.403 257 F HA 0.343 5.377 4.527 0.844 0.000 0.326 257 F C 0.713 176.566 175.800 0.087 0.000 1.081 257 F CA -1.917 56.137 58.000 0.090 0.000 1.041 257 F CB 0.234 39.231 39.000 -0.005 0.000 1.234 257 F HN -0.323 nan 8.300 nan 0.000 0.503 258 C N 2.620 122.153 119.300 0.387 0.000 2.642 258 C HA 0.229 5.196 4.460 0.845 0.000 0.420 258 C C 0.397 175.557 174.990 0.283 0.000 1.349 258 C CA -0.736 58.457 59.018 0.292 0.000 1.821 258 C CB -1.071 26.883 27.740 0.357 0.000 2.637 258 C HN 0.589 nan 8.230 nan 0.000 0.605 259 K N 2.821 123.382 120.400 0.269 0.000 2.221 259 K HA 0.517 5.344 4.320 0.845 0.000 0.243 259 K C 0.009 176.813 176.600 0.340 0.000 0.968 259 K CA -0.676 55.758 56.287 0.245 0.000 0.846 259 K CB 1.458 34.050 32.500 0.153 0.000 1.141 259 K HN 0.600 nan 8.250 nan 0.000 0.434 260 R N 0.947 121.640 120.500 0.323 0.000 2.747 260 R HA -0.012 4.835 4.340 0.845 0.000 0.278 260 R C 1.252 177.727 176.300 0.293 0.000 1.153 260 R CA -0.078 56.236 56.100 0.357 0.000 1.206 260 R CB 0.273 30.757 30.300 0.307 0.000 1.161 260 R HN 0.779 nan 8.270 nan 0.000 0.589 261 E N 0.821 121.195 120.200 0.290 0.000 2.076 261 E HA -0.170 4.687 4.350 0.845 0.000 0.190 261 E C 1.242 177.860 176.600 0.030 0.000 0.979 261 E CA 1.085 57.531 56.400 0.076 0.000 0.807 261 E CB -0.021 29.765 29.700 0.143 0.000 0.761 261 E HN 0.633 nan 8.360 nan 0.000 0.454 262 D N -0.340 120.109 120.400 0.082 0.000 2.362 262 D HA -0.171 4.976 4.640 0.845 0.000 0.215 262 D C 1.290 177.613 176.300 0.040 0.000 0.978 262 D CA 1.487 55.521 54.000 0.057 0.000 0.921 262 D CB -0.321 40.523 40.800 0.072 0.000 0.895 262 D HN 0.418 nan 8.370 nan 0.000 0.494 263 G N -0.684 108.145 108.800 0.048 0.000 2.179 263 G HA2 -0.231 4.236 3.960 0.845 0.000 0.220 263 G HA3 -0.231 4.236 3.960 0.845 0.000 0.220 263 G C 0.295 175.220 174.900 0.043 0.000 0.990 263 G CA 0.516 45.634 45.100 0.030 0.000 0.646 263 G HN 0.937 nan 8.290 nan 0.000 0.517 264 S N -0.174 115.565 115.700 0.066 0.000 2.722 264 S HA 0.658 5.636 4.470 0.845 0.000 0.292 264 S C -0.496 174.145 174.600 0.069 0.000 1.135 264 S CA -0.601 57.631 58.200 0.052 0.000 1.003 264 S CB 2.074 65.305 63.200 0.053 0.000 1.067 264 S HN 0.072 nan 8.310 nan 0.000 0.546 265 D N 1.291 121.691 120.400 -0.000 0.000 2.383 265 D HA 0.207 5.355 4.640 0.845 0.000 0.252 265 D C -0.558 175.758 176.300 0.027 0.000 1.166 265 D CA 0.100 54.050 54.000 -0.084 0.000 0.879 265 D CB 0.180 40.684 40.800 -0.492 0.000 1.164 265 D HN 0.501 nan 8.370 nan 0.000 0.462 266 F N 3.191 123.122 119.950 -0.031 0.000 2.495 266 F HA 0.161 5.194 4.527 0.844 0.000 0.365 266 F C -0.341 175.425 175.800 -0.056 0.000 1.090 266 F CA -0.335 57.646 58.000 -0.030 0.000 1.235 266 F CB 0.620 39.581 39.000 -0.065 0.000 1.119 266 F HN 0.002 nan 8.300 nan 0.000 0.562 267 V N 6.455 125.763 119.914 -1.010 0.000 2.398 267 V HA 0.734 5.362 4.120 0.845 0.000 0.286 267 V C -0.035 175.279 176.094 -1.299 0.000 1.026 267 V CA -0.460 61.288 62.300 -0.920 0.000 0.868 267 V CB 0.787 32.279 31.823 -0.553 0.000 0.982 267 V HN 1.011 nan 8.190 nan 0.000 0.443 268 A N 4.056 126.249 122.820 -1.044 0.000 2.386 268 A HA 0.938 5.765 4.320 0.845 0.000 0.311 268 A C -0.154 176.967 177.584 -0.771 0.000 1.068 268 A CA -0.475 51.067 52.037 -0.825 0.000 0.743 268 A CB 1.652 20.231 19.000 -0.701 0.000 1.258 268 A HN 1.217 nan 8.150 nan 0.000 0.429 269 A N 1.474 123.798 122.820 -0.828 0.000 2.301 269 A HA 0.697 5.524 4.320 0.845 0.000 0.298 269 A C -0.039 177.021 177.584 -0.874 0.000 1.185 269 A CA -0.238 51.296 52.037 -0.839 0.000 0.830 269 A CB 0.266 18.541 19.000 -1.209 0.000 1.112 269 A HN 1.263 nan 8.150 nan 0.000 0.508 270 V N 0.687 120.087 119.914 -0.856 0.000 3.554 270 V HA 0.273 4.901 4.120 0.845 0.000 0.309 270 V C 0.762 176.365 176.094 -0.818 0.000 1.435 270 V CA -0.600 60.887 62.300 -1.355 0.000 0.978 270 V CB 0.199 31.492 31.823 -0.883 0.000 1.144 270 V HN 1.109 nan 8.190 nan 0.000 0.479 271 W N 0.033 121.028 121.300 -0.509 0.000 2.338 271 W HA -0.025 5.141 4.660 0.843 0.000 0.304 271 W C -0.646 175.515 176.519 -0.597 0.000 1.212 271 W CA 1.605 58.640 57.345 -0.517 0.000 1.264 271 W CB -1.617 27.372 29.460 -0.785 0.000 1.142 271 W HN 0.480 nan 8.180 nan 0.000 0.512 272 P HA 0.053 nan 4.420 nan 0.000 0.230 272 P C 0.922 178.167 177.300 -0.092 0.000 1.158 272 P CA 2.139 65.215 63.100 -0.040 0.000 0.769 272 P CB 0.027 31.701 31.700 -0.043 0.000 0.807 273 G N -0.392 108.301 108.800 -0.179 0.000 2.545 273 G HA2 -0.188 4.279 3.960 0.845 0.000 0.240 273 G HA3 -0.188 4.279 3.960 0.845 0.000 0.240 273 G C -1.043 173.660 174.900 -0.328 0.000 1.172 273 G CA -0.411 44.575 45.100 -0.190 0.000 0.949 273 G HN 0.072 nan 8.290 nan 0.000 0.574 274 D N 2.781 122.997 120.400 -0.306 0.000 2.368 274 D HA 0.467 5.615 4.640 0.845 0.000 0.268 274 D C 1.109 177.107 176.300 -0.505 0.000 1.298 274 D CA 1.340 55.089 54.000 -0.419 0.000 0.938 274 D CB 0.524 41.117 40.800 -0.344 0.000 1.101 274 D HN 0.804 nan 8.370 nan 0.000 0.509 275 T N -0.003 114.169 114.554 -0.636 0.000 2.927 275 T HA 0.487 5.344 4.350 0.845 0.000 0.286 275 T C -0.036 174.096 174.700 -0.947 0.000 1.040 275 T CA -0.861 60.832 62.100 -0.679 0.000 1.010 275 T CB 2.036 70.576 68.868 -0.546 0.000 1.177 275 T HN 0.246 nan 8.240 nan 0.000 0.546 276 H N -0.753 117.885 119.070 -0.719 0.000 2.676 276 H HA 0.624 5.686 4.556 0.844 0.000 0.352 276 H C -1.202 173.662 175.328 -0.773 0.000 1.193 276 H CA -1.168 54.334 56.048 -0.911 0.000 1.243 276 H CB 1.095 30.022 29.762 -1.393 0.000 1.751 276 H HN 0.508 nan 8.280 nan 0.000 0.567 277 F N 1.224 121.151 119.950 -0.038 0.000 2.427 277 F HA 0.305 5.339 4.527 0.845 0.000 0.348 277 F C -2.064 174.029 175.800 0.489 0.000 1.125 277 F CA -3.042 55.072 58.000 0.190 0.000 0.989 277 F CB 1.232 40.319 39.000 0.145 0.000 1.165 277 F HN 0.132 nan 8.300 nan 0.000 0.442 278 P HA -0.062 nan 4.420 nan 0.000 0.261 278 P C -0.236 177.222 177.300 0.263 0.000 1.183 278 P CA 0.111 63.517 63.100 0.510 0.000 0.761 278 P CB 0.442 32.160 31.700 0.029 0.000 0.785 279 D N 4.463 125.010 120.400 0.245 0.000 2.441 279 D HA 0.001 5.149 4.640 0.845 0.000 0.243 279 D C 1.050 177.400 176.300 0.084 0.000 1.257 279 D CA 0.185 54.281 54.000 0.159 0.000 1.027 279 D CB 0.072 40.968 40.800 0.160 0.000 1.084 279 D HN 0.200 nan 8.370 nan 0.000 0.514 280 M N 2.540 122.103 119.600 -0.062 0.000 2.557 280 M HA -0.055 4.932 4.480 0.845 0.000 0.259 280 M C 1.377 177.612 176.300 -0.108 0.000 1.086 280 M CA 0.557 55.733 55.300 -0.207 0.000 1.096 280 M CB -0.011 32.264 32.600 -0.541 0.000 1.424 280 M HN 0.439 nan 8.290 nan 0.000 0.488 281 L N -0.024 121.232 121.223 0.055 0.000 2.558 281 L HA 0.069 4.916 4.340 0.845 0.000 0.225 281 L C 1.158 178.081 176.870 0.088 0.000 1.128 281 L CA 0.008 54.874 54.840 0.045 0.000 0.868 281 L CB -0.404 41.677 42.059 0.037 0.000 1.006 281 L HN 0.347 nan 8.230 nan 0.000 0.454 282 N N 1.528 120.291 118.700 0.105 0.000 2.408 282 N HA 0.083 5.331 4.740 0.845 0.000 0.257 282 N C -1.993 173.536 175.510 0.032 0.000 1.064 282 N CA -1.340 51.762 53.050 0.087 0.000 0.952 282 N CB 1.912 40.469 38.487 0.116 0.000 1.093 282 N HN -0.153 nan 8.380 nan 0.000 0.490 283 P HA -0.080 nan 4.420 nan 0.000 0.221 283 P C 0.339 177.633 177.300 -0.011 0.000 1.145 283 P CA 1.281 64.375 63.100 -0.010 0.000 0.795 283 P CB 0.426 32.124 31.700 -0.004 0.000 0.775 284 E N -0.866 119.341 120.200 0.011 0.000 2.102 284 E HA 0.034 4.891 4.350 0.845 0.000 0.190 284 E C 2.119 178.635 176.600 -0.139 0.000 0.971 284 E CA 0.677 57.082 56.400 0.008 0.000 0.821 284 E CB -0.496 29.267 29.700 0.105 0.000 0.777 284 E HN 0.082 nan 8.360 nan 0.000 0.460 285 A N 1.488 124.194 122.820 -0.190 0.000 1.972 285 A HA -0.188 4.639 4.320 0.845 0.000 0.219 285 A C 2.037 179.626 177.584 0.008 0.000 1.169 285 A CA 1.174 53.045 52.037 -0.276 0.000 0.635 285 A CB -0.353 18.613 19.000 -0.056 0.000 0.810 285 A HN 0.042 nan 8.150 nan 0.000 0.446 286 R N -0.577 119.909 120.500 -0.023 0.000 2.096 286 R HA -0.144 4.703 4.340 0.845 0.000 0.235 286 R C 2.355 178.639 176.300 -0.025 0.000 1.127 286 R CA 1.764 57.849 56.100 -0.026 0.000 0.968 286 R CB -0.201 30.045 30.300 -0.090 0.000 0.861 286 R HN 0.649 nan 8.270 nan 0.000 0.440 287 K N -0.234 120.144 120.400 -0.036 0.000 2.007 287 K HA -0.200 4.627 4.320 0.845 0.000 0.206 287 K C 1.949 178.532 176.600 -0.028 0.000 1.047 287 K CA 1.518 57.783 56.287 -0.036 0.000 0.937 287 K CB -0.338 32.153 32.500 -0.015 0.000 0.718 287 K HN 0.183 nan 8.250 nan 0.000 0.438 288 W N 0.914 122.058 121.300 -0.260 0.000 2.335 288 W HA -0.258 4.914 4.660 0.853 0.000 0.311 288 W C 1.671 178.050 176.519 -0.232 0.000 1.213 288 W CA 1.679 58.845 57.345 -0.298 0.000 1.274 288 W CB -0.642 28.434 29.460 -0.639 0.000 1.148 288 W HN 0.143 nan 8.180 nan 0.000 0.498 289 F N 1.428 121.048 119.950 -0.551 0.000 2.075 289 F HA -0.000 5.030 4.527 0.840 0.000 0.297 289 F C 2.486 178.032 175.800 -0.423 0.000 1.113 289 F CA 2.900 60.456 58.000 -0.741 0.000 1.218 289 F CB -1.057 37.740 39.000 -0.337 0.000 0.984 289 F HN -0.059 nan 8.300 nan 0.000 0.472 290 G N -0.360 108.362 108.800 -0.130 0.000 2.442 290 G HA2 -0.299 4.168 3.960 0.845 0.000 0.219 290 G HA3 -0.299 4.168 3.960 0.845 0.000 0.219 290 G C 1.242 176.034 174.900 -0.179 0.000 1.141 290 G CA 1.161 46.185 45.100 -0.127 0.000 0.763 290 G HN 0.349 nan 8.290 nan 0.000 0.554 291 D N 0.215 120.463 120.400 -0.253 0.000 2.309 291 D HA -0.024 5.123 4.640 0.845 0.000 0.212 291 D C 2.350 178.444 176.300 -0.343 0.000 0.968 291 D CA 0.476 54.343 54.000 -0.221 0.000 0.882 291 D CB 0.043 40.744 40.800 -0.165 0.000 0.918 291 D HN 0.161 nan 8.370 nan 0.000 0.503 292 K N -0.089 119.894 120.400 -0.695 0.000 2.148 292 K HA -0.093 4.734 4.320 0.845 0.000 0.204 292 K C 1.807 177.921 176.600 -0.811 0.000 1.050 292 K CA 0.411 56.023 56.287 -1.124 0.000 0.942 292 K CB -0.430 30.689 32.500 -2.301 0.000 0.724 292 K HN 0.318 nan 8.250 nan 0.000 0.446 293 Y N 1.321 121.280 120.300 -0.570 0.000 2.228 293 Y HA -0.243 4.855 4.550 0.914 0.000 0.285 293 Y C 2.379 178.281 175.900 0.002 0.000 1.178 293 Y CA 1.315 59.302 58.100 -0.189 0.000 1.202 293 Y CB -0.344 37.855 38.460 -0.434 0.000 0.974 293 Y HN 0.080 nan 8.280 nan 0.000 0.527 294 R N -0.863 119.677 120.500 0.067 0.000 2.140 294 R HA -0.278 4.569 4.340 0.845 0.000 0.250 294 R C 2.083 178.475 176.300 0.155 0.000 1.150 294 R CA 2.012 58.163 56.100 0.084 0.000 0.966 294 R CB -0.902 29.410 30.300 0.020 0.000 0.869 294 R HN 0.362 nan 8.270 nan 0.000 0.445 295 F N 1.315 121.274 119.950 0.015 0.000 2.024 295 F HA -0.322 4.708 4.527 0.839 0.000 0.296 295 F C 2.071 177.970 175.800 0.166 0.000 1.137 295 F CA 2.010 60.053 58.000 0.071 0.000 1.200 295 F CB -0.596 38.440 39.000 0.059 0.000 0.954 295 F HN -0.077 nan 8.300 nan 0.000 0.497 296 L N -0.129 121.333 121.223 0.398 0.000 1.994 296 L HA -0.233 4.614 4.340 0.845 0.000 0.208 296 L C 2.505 179.512 176.870 0.228 0.000 1.071 296 L CA 1.580 56.619 54.840 0.331 0.000 0.745 296 L CB -0.804 41.574 42.059 0.532 0.000 0.892 296 L HN 0.187 nan 8.230 nan 0.000 0.431 297 I N 0.046 120.826 120.570 0.351 0.000 2.399 297 I HA -0.314 4.364 4.170 0.845 0.000 0.254 297 I C 1.594 177.780 176.117 0.114 0.000 1.146 297 I CA 1.145 62.598 61.300 0.255 0.000 1.412 297 I CB -0.315 37.826 38.000 0.236 0.000 1.076 297 I HN 0.304 nan 8.210 nan 0.000 0.432 298 D N 0.061 120.494 120.400 0.056 0.000 2.355 298 D HA -0.078 5.069 4.640 0.845 0.000 0.218 298 D C 1.914 178.176 176.300 -0.064 0.000 1.004 298 D CA 0.644 54.637 54.000 -0.012 0.000 0.880 298 D CB 0.104 40.884 40.800 -0.033 0.000 0.911 298 D HN 0.528 nan 8.370 nan 0.000 0.528 299 Q N -1.233 118.526 119.800 -0.069 0.000 2.378 299 Q HA 0.296 5.143 4.340 0.845 0.000 0.216 299 Q C 1.227 177.140 176.000 -0.145 0.000 0.892 299 Q CA 0.677 56.421 55.803 -0.098 0.000 0.931 299 Q CB 1.672 30.390 28.738 -0.034 0.000 1.086 299 Q HN 0.215 nan 8.270 nan 0.000 0.528 300 G N 0.652 109.385 108.800 -0.112 0.000 2.738 300 G HA2 -0.110 4.357 3.960 0.845 0.000 0.195 300 G HA3 -0.110 4.357 3.960 0.845 0.000 0.195 300 G C 0.109 174.911 174.900 -0.165 0.000 1.001 300 G CA -0.633 44.374 45.100 -0.155 0.000 0.759 300 G HN 0.102 nan 8.290 nan 0.000 0.494 301 I N 1.895 122.374 120.570 -0.152 0.000 2.826 301 I HA 0.099 4.777 4.170 0.845 0.000 0.295 301 I C 1.099 177.174 176.117 -0.069 0.000 1.213 301 I CA 1.036 62.221 61.300 -0.192 0.000 1.436 301 I CB 0.434 38.298 38.000 -0.227 0.000 1.348 301 I HN 0.383 nan 8.210 nan 0.000 0.570 302 E N 3.306 123.449 120.200 -0.096 0.000 2.601 302 E HA 0.335 5.192 4.350 0.845 0.000 0.219 302 E C 0.538 177.334 176.600 0.327 0.000 0.964 302 E CA -0.196 56.276 56.400 0.120 0.000 1.050 302 E CB 1.206 30.891 29.700 -0.025 0.000 1.068 302 E HN 0.826 nan 8.360 nan 0.000 0.496 303 G N 0.409 109.287 108.800 0.130 0.000 2.720 303 G HA2 0.563 5.030 3.960 0.845 0.000 0.295 303 G HA3 0.563 5.030 3.960 0.845 0.000 0.295 303 G C -1.447 173.451 174.900 -0.004 0.000 1.437 303 G CA -0.598 44.668 45.100 0.277 0.000 0.886 303 G HN -0.027 nan 8.290 nan 0.000 0.509 304 F N -0.681 119.487 119.950 0.363 0.000 2.691 304 F HA 0.866 5.901 4.527 0.847 0.000 0.334 304 F C -0.660 175.317 175.800 0.296 0.000 1.107 304 F CA -0.731 57.482 58.000 0.355 0.000 0.991 304 F CB 2.522 41.806 39.000 0.473 0.000 1.400 304 F HN 0.724 nan 8.300 nan 0.000 0.503 305 W N 0.967 122.350 121.300 0.138 0.000 3.624 305 W HA 0.538 5.697 4.660 0.833 0.000 0.312 305 W C -2.615 173.892 176.519 -0.020 0.000 1.203 305 W CA -0.856 56.341 57.345 -0.246 0.000 1.225 305 W CB 0.672 29.492 29.460 -1.066 0.000 1.321 305 W HN 0.429 nan 8.180 nan 0.000 0.506 306 N N 3.223 121.981 118.700 0.097 0.000 2.400 306 N HA 0.769 6.016 4.740 0.845 0.000 0.288 306 N C -0.571 175.075 175.510 0.227 0.000 1.024 306 N CA -0.551 52.575 53.050 0.126 0.000 0.894 306 N CB 1.861 40.492 38.487 0.240 0.000 1.173 306 N HN 0.641 nan 8.380 nan 0.000 0.487 307 A N 1.700 124.596 122.820 0.126 0.000 2.483 307 A HA 0.577 5.404 4.320 0.845 0.000 0.286 307 A C 0.195 177.883 177.584 0.174 0.000 1.207 307 A CA -0.614 51.574 52.037 0.251 0.000 0.764 307 A CB 0.813 19.982 19.000 0.283 0.000 1.341 307 A HN 0.756 nan 8.150 nan 0.000 0.428 308 M N 0.648 120.355 119.600 0.177 0.000 2.333 308 M HA -0.167 4.820 4.480 0.845 0.000 0.199 308 M C 0.313 176.667 176.300 0.090 0.000 0.376 308 M CA 1.133 56.518 55.300 0.143 0.000 0.440 308 M CB -2.061 30.623 32.600 0.140 0.000 1.506 308 M HN 0.867 nan 8.290 nan 0.000 0.889 309 N N -0.244 118.526 118.700 0.117 0.000 2.376 309 N HA 0.169 5.416 4.740 0.845 0.000 0.249 309 N C 0.588 176.158 175.510 0.100 0.000 1.140 309 N CA -0.062 53.085 53.050 0.162 0.000 0.870 309 N CB 0.255 38.886 38.487 0.239 0.000 1.124 309 N HN 0.402 nan 8.380 nan 0.000 0.505 310 E N 0.776 120.955 120.200 -0.035 0.000 2.112 310 E HA 0.084 4.942 4.350 0.845 0.000 0.190 310 E C -1.828 174.512 176.600 -0.433 0.000 0.979 310 E CA 0.587 56.911 56.400 -0.126 0.000 0.814 310 E CB -0.754 28.951 29.700 0.008 0.000 0.762 310 E HN 0.532 nan 8.360 nan 0.000 0.460 311 P HA 0.227 nan 4.420 nan 0.000 0.294 311 P C -1.112 176.086 177.300 -0.169 0.000 1.294 311 P CA -0.272 62.441 63.100 -0.644 0.000 0.827 311 P CB 1.689 32.422 31.700 -1.612 0.000 0.992 312 A N 4.422 127.216 122.820 -0.042 0.000 2.440 312 A HA 0.494 5.321 4.320 0.845 0.000 0.251 312 A C 0.134 177.733 177.584 0.024 0.000 1.089 312 A CA -0.307 51.778 52.037 0.081 0.000 0.779 312 A CB -0.440 18.616 19.000 0.094 0.000 1.022 312 A HN 0.521 nan 8.150 nan 0.000 0.492 313 I N 2.936 123.542 120.570 0.061 0.000 2.468 313 I HA 0.224 4.901 4.170 0.845 0.000 0.284 313 I C -0.066 176.091 176.117 0.066 0.000 1.038 313 I CA -0.462 60.818 61.300 -0.033 0.000 1.083 313 I CB 1.413 39.394 38.000 -0.032 0.000 1.223 313 I HN 0.653 nan 8.210 nan 0.000 0.443 314 F N 5.371 125.208 119.950 -0.189 0.000 2.126 314 F HA -0.109 4.926 4.527 0.846 0.000 0.299 314 F C 0.689 176.515 175.800 0.043 0.000 1.096 314 F CA 0.585 58.511 58.000 -0.124 0.000 1.255 314 F CB -0.746 38.130 39.000 -0.205 0.000 0.997 314 F HN 0.517 nan 8.300 nan 0.000 0.479 315 Y N -4.042 116.297 120.300 0.066 0.000 2.717 315 Y HA 0.436 5.494 4.550 0.847 0.000 0.345 315 Y C -0.663 175.190 175.900 -0.078 0.000 1.187 315 Y CA -2.098 55.998 58.100 -0.007 0.000 1.128 315 Y CB 0.150 38.606 38.460 -0.008 0.000 1.360 315 Y HN -0.136 nan 8.280 nan 0.000 0.467 316 S N 0.310 116.055 115.700 0.075 0.000 2.654 316 S HA 0.428 5.405 4.470 0.845 0.000 0.283 316 S C 0.480 175.120 174.600 0.066 0.000 1.180 316 S CA -0.067 58.092 58.200 -0.068 0.000 1.021 316 S CB 1.594 64.822 63.200 0.045 0.000 1.018 316 S HN 0.819 nan 8.310 nan 0.000 0.532 317 S N 1.359 117.006 115.700 -0.089 0.000 2.392 317 S HA -0.189 4.788 4.470 0.845 0.000 0.232 317 S C 1.633 176.245 174.600 0.021 0.000 1.041 317 S CA 2.051 60.237 58.200 -0.023 0.000 1.026 317 S CB -0.618 62.517 63.200 -0.107 0.000 0.845 317 S HN 0.848 nan 8.310 nan 0.000 0.465 318 E N 0.872 121.090 120.200 0.031 0.000 2.047 318 E HA -0.000 4.857 4.350 0.845 0.000 0.191 318 E C 2.399 179.032 176.600 0.054 0.000 0.987 318 E CA 1.060 57.494 56.400 0.057 0.000 0.799 318 E CB -0.814 28.943 29.700 0.096 0.000 0.752 318 E HN 0.496 nan 8.360 nan 0.000 0.449 319 G N 0.982 109.826 108.800 0.073 0.000 2.459 319 G HA2 -0.272 4.195 3.960 0.845 0.000 0.217 319 G HA3 -0.272 4.195 3.960 0.845 0.000 0.217 319 G C 1.515 176.430 174.900 0.025 0.000 1.183 319 G CA 0.839 45.973 45.100 0.057 0.000 0.776 319 G HN 0.207 nan 8.290 nan 0.000 0.552 320 L N 1.403 122.649 121.223 0.039 0.000 2.089 320 L HA -0.080 4.767 4.340 0.845 0.000 0.213 320 L C 2.999 179.839 176.870 -0.050 0.000 1.079 320 L CA 2.270 57.060 54.840 -0.083 0.000 0.758 320 L CB -0.526 41.473 42.059 -0.100 0.000 0.891 320 L HN 0.267 nan 8.230 nan 0.000 0.433 321 A N -1.310 121.506 122.820 -0.007 0.000 1.970 321 A HA -0.125 4.703 4.320 0.845 0.000 0.216 321 A C 2.108 179.700 177.584 0.013 0.000 1.170 321 A CA 1.304 53.343 52.037 0.002 0.000 0.645 321 A CB -0.416 18.592 19.000 0.013 0.000 0.816 321 A HN 0.594 nan 8.150 nan 0.000 0.447 322 E N 0.030 120.236 120.200 0.011 0.000 2.158 322 E HA 0.041 4.898 4.350 0.845 0.000 0.191 322 E C 2.218 178.834 176.600 0.026 0.000 0.982 322 E CA 0.696 57.104 56.400 0.013 0.000 0.823 322 E CB -0.223 29.471 29.700 -0.010 0.000 0.766 322 E HN 0.589 nan 8.360 nan 0.000 0.468 323 A N 2.016 124.842 122.820 0.009 0.000 1.855 323 A HA -0.203 4.624 4.320 0.845 0.000 0.215 323 A C 1.988 179.616 177.584 0.073 0.000 1.191 323 A CA 1.396 53.455 52.037 0.036 0.000 0.613 323 A CB -0.309 18.677 19.000 -0.023 0.000 0.829 323 A HN 0.009 nan 8.150 nan 0.000 0.442 324 K N -0.573 119.840 120.400 0.022 0.000 2.074 324 K HA -0.199 4.628 4.320 0.845 0.000 0.209 324 K C 2.127 178.762 176.600 0.058 0.000 1.048 324 K CA 1.427 57.729 56.287 0.024 0.000 0.926 324 K CB -0.133 32.364 32.500 -0.006 0.000 0.713 324 K HN 0.434 nan 8.250 nan 0.000 0.444 325 E N 0.381 120.625 120.200 0.073 0.000 2.049 325 E HA -0.213 4.644 4.350 0.845 0.000 0.198 325 E C 1.857 178.552 176.600 0.158 0.000 1.007 325 E CA 1.385 57.842 56.400 0.096 0.000 0.809 325 E CB -0.200 29.556 29.700 0.094 0.000 0.749 325 E HN 0.186 nan 8.360 nan 0.000 0.450 326 F N 0.834 120.785 119.950 0.002 0.000 2.113 326 F HA -0.091 4.944 4.527 0.845 0.000 0.297 326 F C 2.292 178.120 175.800 0.047 0.000 1.103 326 F CA 1.262 59.268 58.000 0.010 0.000 1.248 326 F CB -0.800 38.191 39.000 -0.015 0.000 0.999 326 F HN 0.035 nan 8.300 nan 0.000 0.475 327 A N 0.198 123.093 122.820 0.125 0.000 1.873 327 A HA -0.182 4.645 4.320 0.845 0.000 0.218 327 A C 2.534 180.162 177.584 0.073 0.000 1.193 327 A CA 2.041 54.138 52.037 0.099 0.000 0.629 327 A CB -1.804 17.251 19.000 0.092 0.000 0.826 327 A HN 0.470 nan 8.150 nan 0.000 0.447 328 G N -0.978 107.843 108.800 0.035 0.000 2.462 328 G HA2 -0.178 4.289 3.960 0.845 0.000 0.220 328 G HA3 -0.178 4.289 3.960 0.845 0.000 0.220 328 G C 1.408 176.286 174.900 -0.035 0.000 1.121 328 G CA 1.122 46.222 45.100 -0.001 0.000 0.758 328 G HN 0.697 nan 8.290 nan 0.000 0.559 329 E N -0.551 119.620 120.200 -0.049 0.000 2.033 329 E HA -0.008 4.849 4.350 0.845 0.000 0.189 329 E C 2.014 178.532 176.600 -0.136 0.000 0.979 329 E CA 0.503 56.842 56.400 -0.101 0.000 0.802 329 E CB -0.261 29.359 29.700 -0.133 0.000 0.763 329 E HN 0.365 nan 8.360 nan 0.000 0.449 330 F N 1.965 121.713 119.950 -0.337 0.000 2.115 330 F HA -0.272 4.762 4.527 0.846 0.000 0.300 330 F C 2.075 177.757 175.800 -0.197 0.000 1.092 330 F CA 1.561 59.369 58.000 -0.321 0.000 1.245 330 F CB -0.421 38.369 39.000 -0.350 0.000 0.995 330 F HN -0.035 nan 8.300 nan 0.000 0.481 331 A N -0.352 122.319 122.820 -0.248 0.000 1.972 331 A HA -0.191 4.636 4.320 0.845 0.000 0.219 331 A C 2.172 179.598 177.584 -0.262 0.000 1.169 331 A CA 1.890 53.754 52.037 -0.288 0.000 0.635 331 A CB -0.561 18.369 19.000 -0.117 0.000 0.810 331 A HN 0.505 nan 8.150 nan 0.000 0.446 332 K N -0.534 119.745 120.400 -0.203 0.000 2.361 332 K HA 0.062 4.889 4.320 0.845 0.000 0.194 332 K C -0.075 176.424 176.600 -0.169 0.000 1.032 332 K CA 0.165 56.358 56.287 -0.157 0.000 1.048 332 K CB 0.169 32.606 32.500 -0.105 0.000 0.842 332 K HN 0.550 nan 8.250 nan 0.000 0.526 333 D N 0.353 120.623 120.400 -0.215 0.000 2.450 333 D HA -0.044 5.103 4.640 0.845 0.000 0.247 333 D C 0.670 176.848 176.300 -0.202 0.000 1.162 333 D CA 0.552 54.431 54.000 -0.202 0.000 0.879 333 D CB 0.971 41.634 40.800 -0.228 0.000 1.163 333 D HN 0.129 nan 8.370 nan 0.000 0.472 334 T N 0.458 114.925 114.554 -0.146 0.000 3.028 334 T HA -0.018 4.839 4.350 0.845 0.000 0.250 334 T C 1.287 175.927 174.700 -0.100 0.000 0.979 334 T CA -0.426 61.601 62.100 -0.121 0.000 1.004 334 T CB -0.192 68.621 68.868 -0.093 0.000 1.120 334 T HN 0.486 nan 8.240 nan 0.000 0.482 335 E N 2.322 122.467 120.200 -0.092 0.000 2.492 335 E HA 0.051 4.908 4.350 0.845 0.000 0.204 335 E C 1.529 178.070 176.600 -0.099 0.000 1.073 335 E CA 0.510 56.863 56.400 -0.078 0.000 0.887 335 E CB -0.819 28.840 29.700 -0.069 0.000 0.813 335 E HN 0.728 nan 8.360 nan 0.000 0.562 336 G N 1.917 110.634 108.800 -0.139 0.000 2.221 336 G HA2 -0.335 4.132 3.960 0.845 0.000 0.265 336 G HA3 -0.335 4.132 3.960 0.845 0.000 0.265 336 G C 0.707 175.384 174.900 -0.370 0.000 1.041 336 G CA 0.841 45.823 45.100 -0.196 0.000 0.807 336 G HN 0.325 nan 8.290 nan 0.000 0.502 337 K N -1.008 119.212 120.400 -0.300 0.000 2.211 337 K HA 0.228 5.055 4.320 0.845 0.000 0.201 337 K C 1.099 177.491 176.600 -0.347 0.000 1.052 337 K CA 0.443 56.555 56.287 -0.291 0.000 0.973 337 K CB 0.519 32.932 32.500 -0.146 0.000 0.766 337 K HN 0.489 nan 8.250 nan 0.000 0.466 338 I N 2.581 122.971 120.570 -0.300 0.000 2.301 338 I HA 0.041 4.718 4.170 0.845 0.000 0.292 338 I C 0.067 176.013 176.117 -0.286 0.000 1.046 338 I CA -0.378 60.770 61.300 -0.252 0.000 1.282 338 I CB 0.511 38.379 38.000 -0.220 0.000 1.409 338 I HN 0.076 nan 8.210 nan 0.000 0.484 339 H N 7.565 126.440 119.070 -0.324 0.000 2.482 339 H HA 0.243 5.306 4.556 0.845 0.000 0.344 339 H C -1.630 173.258 175.328 -0.732 0.000 1.151 339 H CA -2.135 53.498 56.048 -0.692 0.000 1.300 339 H CB 1.269 30.262 29.762 -1.281 0.000 1.494 339 H HN 0.308 nan 8.280 nan 0.000 0.542 340 P HA -0.105 nan 4.420 nan 0.000 0.222 340 P C 0.926 178.085 177.300 -0.235 0.000 1.147 340 P CA 1.192 64.070 63.100 -0.370 0.000 0.790 340 P CB -0.044 31.631 31.700 -0.042 0.000 0.780 341 W N -0.871 120.436 121.300 0.011 0.000 2.518 341 W HA 0.314 5.481 4.660 0.845 0.000 0.273 341 W C 2.035 178.574 176.519 0.032 0.000 1.247 341 W CA 0.547 57.897 57.345 0.008 0.000 1.288 341 W CB -1.630 27.837 29.460 0.012 0.000 1.107 341 W HN -0.187 nan 8.180 nan 0.000 0.586 342 A N 1.342 124.143 122.820 -0.032 0.000 1.898 342 A HA -0.142 4.685 4.320 0.845 0.000 0.216 342 A C 2.088 179.787 177.584 0.192 0.000 1.181 342 A CA 2.101 54.216 52.037 0.129 0.000 0.620 342 A CB -0.759 18.338 19.000 0.162 0.000 0.819 342 A HN 0.352 nan 8.150 nan 0.000 0.442 343 M N -0.376 119.203 119.600 -0.035 0.000 2.059 343 M HA -0.202 4.785 4.480 0.845 0.000 0.259 343 M C 2.272 178.539 176.300 -0.056 0.000 1.072 343 M CA 2.481 57.702 55.300 -0.131 0.000 1.117 343 M CB -0.588 31.540 32.600 -0.786 0.000 1.320 343 M HN 0.545 nan 8.290 nan 0.000 0.408 344 Q N -0.647 119.109 119.800 -0.073 0.000 2.112 344 Q HA -0.205 4.642 4.340 0.845 0.000 0.206 344 Q C 1.886 177.908 176.000 0.037 0.000 0.987 344 Q CA 2.135 57.937 55.803 -0.002 0.000 0.858 344 Q CB -0.309 28.457 28.738 0.047 0.000 0.905 344 Q HN 0.686 nan 8.270 nan 0.000 0.420 345 A N 0.619 123.481 122.820 0.070 0.000 1.930 345 A HA -0.184 4.643 4.320 0.845 0.000 0.217 345 A C 1.978 179.573 177.584 0.018 0.000 1.175 345 A CA 1.699 53.773 52.037 0.063 0.000 0.627 345 A CB -0.448 18.610 19.000 0.097 0.000 0.815 345 A HN 0.277 nan 8.150 nan 0.000 0.443 346 K N -0.415 119.985 120.400 -0.000 0.000 2.147 346 K HA -0.071 4.756 4.320 0.845 0.000 0.205 346 K C 1.790 178.370 176.600 -0.033 0.000 1.049 346 K CA 1.692 57.936 56.287 -0.073 0.000 0.936 346 K CB -0.331 32.071 32.500 -0.163 0.000 0.722 346 K HN 0.360 nan 8.250 nan 0.000 0.446 347 M N 0.683 120.280 119.600 -0.005 0.000 2.254 347 M HA -0.065 4.922 4.480 0.845 0.000 0.265 347 M C 1.627 177.928 176.300 0.002 0.000 1.066 347 M CA 1.367 56.661 55.300 -0.009 0.000 1.123 347 M CB -0.593 32.000 32.600 -0.013 0.000 1.388 347 M HN 0.063 nan 8.290 nan 0.000 0.425 348 K N 0.509 120.916 120.400 0.013 0.000 1.984 348 K HA -0.170 4.657 4.320 0.845 0.000 0.209 348 K C 1.652 178.268 176.600 0.026 0.000 1.046 348 K CA 1.644 57.946 56.287 0.025 0.000 0.934 348 K CB -0.822 31.699 32.500 0.034 0.000 0.717 348 K HN 0.277 nan 8.250 nan 0.000 0.438 349 D N 1.547 121.955 120.400 0.013 0.000 2.190 349 D HA -0.165 4.982 4.640 0.845 0.000 0.200 349 D C 1.709 178.019 176.300 0.017 0.000 0.992 349 D CA 0.943 54.949 54.000 0.010 0.000 0.854 349 D CB -0.149 40.641 40.800 -0.016 0.000 0.936 349 D HN 0.394 nan 8.370 nan 0.000 0.462 350 I N -1.789 118.792 120.570 0.018 0.000 3.550 350 I HA 0.101 4.778 4.170 0.845 0.000 0.295 350 I C -0.483 175.684 176.117 0.084 0.000 1.291 350 I CA -0.172 61.153 61.300 0.042 0.000 1.298 350 I CB -0.028 37.995 38.000 0.038 0.000 1.026 350 I HN -0.251 nan 8.210 nan 0.000 0.491 351 V N 2.723 122.683 119.914 0.076 0.000 2.435 351 V HA 0.318 4.945 4.120 0.845 0.000 0.290 351 V C 0.032 176.186 176.094 0.100 0.000 1.030 351 V CA -0.791 61.572 62.300 0.105 0.000 0.881 351 V CB 0.962 32.842 31.823 0.094 0.000 0.983 351 V HN 0.511 nan 8.190 nan 0.000 0.445 352 N N 1.863 120.632 118.700 0.115 0.000 2.688 352 N HA -0.179 5.069 4.740 0.845 0.000 0.258 352 N C 0.182 175.783 175.510 0.152 0.000 1.016 352 N CA 1.189 54.349 53.050 0.184 0.000 0.747 352 N CB -0.631 37.995 38.487 0.233 0.000 0.895 352 N HN 0.840 nan 8.380 nan 0.000 0.543 353 S N 0.047 115.739 115.700 -0.012 0.000 2.489 353 S HA 0.388 5.365 4.470 0.845 0.000 0.277 353 S C -0.959 173.646 174.600 0.008 0.000 1.230 353 S CA -1.480 56.716 58.200 -0.007 0.000 1.053 353 S CB 1.282 64.462 63.200 -0.034 0.000 0.955 353 S HN -0.033 nan 8.310 nan 0.000 0.488 354 P HA -0.154 nan 4.420 nan 0.000 0.217 354 P C 1.106 178.421 177.300 0.024 0.000 1.162 354 P CA 1.377 64.522 63.100 0.074 0.000 0.901 354 P CB 0.102 31.820 31.700 0.031 0.000 0.793 355 E N -0.938 119.260 120.200 -0.003 0.000 2.130 355 E HA -0.195 4.662 4.350 0.845 0.000 0.196 355 E C 1.598 178.186 176.600 -0.019 0.000 0.998 355 E CA 1.447 57.843 56.400 -0.008 0.000 0.806 355 E CB -0.570 29.131 29.700 0.001 0.000 0.738 355 E HN 0.261 nan 8.360 nan 0.000 0.459 356 D N -1.160 119.204 120.400 -0.060 0.000 2.234 356 D HA -0.101 5.046 4.640 0.845 0.000 0.205 356 D C 1.140 177.342 176.300 -0.162 0.000 0.962 356 D CA 0.687 54.646 54.000 -0.068 0.000 0.855 356 D CB -0.075 40.679 40.800 -0.077 0.000 0.951 356 D HN 0.290 nan 8.370 nan 0.000 0.500 357 Y N 1.306 121.590 120.300 -0.028 0.000 2.509 357 Y HA -0.023 5.034 4.550 0.845 0.000 0.293 357 Y C 1.832 177.533 175.900 -0.331 0.000 1.133 357 Y CA 0.663 58.671 58.100 -0.154 0.000 1.283 357 Y CB -0.051 38.332 38.460 -0.129 0.000 1.001 357 Y HN 0.049 nan 8.280 nan 0.000 0.555 358 K N -0.442 119.874 120.400 -0.141 0.000 2.372 358 K HA 0.198 5.025 4.320 0.845 0.000 0.200 358 K C 1.299 177.734 176.600 -0.276 0.000 1.022 358 K CA 0.039 56.181 56.287 -0.241 0.000 1.125 358 K CB 0.217 32.635 32.500 -0.137 0.000 0.855 358 K HN 0.179 nan 8.250 nan 0.000 0.524 359 R N 0.801 121.178 120.500 -0.205 0.000 2.297 359 R HA 0.130 4.977 4.340 0.845 0.000 0.197 359 R C -0.089 176.155 176.300 -0.094 0.000 0.943 359 R CA 0.350 56.407 56.100 -0.071 0.000 1.038 359 R CB 0.129 30.486 30.300 0.095 0.000 0.957 359 R HN 0.245 nan 8.270 nan 0.000 0.484 360 F N -2.956 116.691 119.950 -0.505 0.000 2.620 360 F HA 0.562 5.595 4.527 0.843 0.000 0.320 360 F C -1.004 174.598 175.800 -0.330 0.000 1.069 360 F CA -1.658 56.110 58.000 -0.387 0.000 0.953 360 F CB 0.858 39.443 39.000 -0.692 0.000 1.322 360 F HN -0.316 nan 8.300 nan 0.000 0.479 361 Y N -0.244 120.121 120.300 0.108 0.000 2.598 361 Y HA 0.514 5.570 4.550 0.845 0.000 0.340 361 Y C -0.228 175.735 175.900 0.106 0.000 1.038 361 Y CA -0.893 57.261 58.100 0.091 0.000 1.100 361 Y CB 1.702 40.216 38.460 0.090 0.000 1.281 361 Y HN 0.533 nan 8.280 nan 0.000 0.488 362 H N 0.655 119.891 119.070 0.277 0.000 2.529 362 H HA 0.209 5.271 4.556 0.843 0.000 0.348 362 H C -1.079 174.365 175.328 0.193 0.000 1.152 362 H CA -0.795 55.392 56.048 0.231 0.000 1.202 362 H CB 2.082 31.935 29.762 0.151 0.000 1.562 362 H HN 0.518 nan 8.280 nan 0.000 0.515 363 N N 2.234 121.093 118.700 0.265 0.000 2.949 363 N HA 0.102 5.349 4.740 0.845 0.000 0.243 363 N C -1.165 174.450 175.510 0.176 0.000 1.113 363 N CA -0.246 52.915 53.050 0.185 0.000 0.980 363 N CB 0.205 38.767 38.487 0.126 0.000 1.256 363 N HN 0.219 nan 8.380 nan 0.000 0.508 364 V N 4.049 124.080 119.914 0.195 0.000 2.313 364 V HA 0.130 4.757 4.120 0.845 0.000 0.252 364 V C 0.271 176.427 176.094 0.103 0.000 1.112 364 V CA -0.477 61.926 62.300 0.173 0.000 0.984 364 V CB -0.391 31.594 31.823 0.270 0.000 1.157 364 V HN 0.740 nan 8.190 nan 0.000 0.493 365 N N 4.169 122.913 118.700 0.073 0.000 2.753 365 N HA -0.234 5.013 4.740 0.845 0.000 0.251 365 N C 1.125 176.658 175.510 0.038 0.000 1.097 365 N CA 1.506 54.581 53.050 0.041 0.000 0.786 365 N CB -1.230 37.267 38.487 0.016 0.000 1.137 365 N HN 1.149 nan 8.380 nan 0.000 0.566 366 G N -1.387 107.444 108.800 0.051 0.000 2.391 366 G HA2 -0.259 4.208 3.960 0.845 0.000 0.204 366 G HA3 -0.259 4.208 3.960 0.845 0.000 0.204 366 G C -0.084 174.845 174.900 0.048 0.000 1.012 366 G CA 0.136 45.259 45.100 0.039 0.000 0.651 366 G HN 0.256 nan 8.290 nan 0.000 0.494 367 K N 1.459 121.898 120.400 0.064 0.000 2.401 367 K HA 0.331 5.158 4.320 0.845 0.000 0.278 367 K C -0.090 176.579 176.600 0.116 0.000 1.018 367 K CA 0.109 56.446 56.287 0.083 0.000 0.981 367 K CB 0.844 33.403 32.500 0.098 0.000 0.933 367 K HN 0.303 nan 8.250 nan 0.000 0.477 368 K N 4.241 124.703 120.400 0.103 0.000 2.299 368 K HA 0.309 5.136 4.320 0.845 0.000 0.268 368 K C 0.019 176.756 176.600 0.228 0.000 1.075 368 K CA -0.323 56.049 56.287 0.142 0.000 0.936 368 K CB 0.623 33.138 32.500 0.025 0.000 1.228 368 K HN 0.364 nan 8.250 nan 0.000 0.454 369 I N 1.994 122.726 120.570 0.270 0.000 2.532 369 I HA 0.293 4.970 4.170 0.845 0.000 0.292 369 I C 0.583 176.861 176.117 0.269 0.000 1.014 369 I CA -0.670 60.760 61.300 0.217 0.000 1.340 369 I CB 1.091 39.134 38.000 0.072 0.000 1.422 369 I HN 0.475 nan 8.210 nan 0.000 0.528 370 R N 3.493 124.045 120.500 0.087 0.000 2.340 370 R HA 0.076 4.923 4.340 0.845 0.000 0.300 370 R C 1.591 177.713 176.300 -0.297 0.000 1.069 370 R CA -0.325 55.567 56.100 -0.346 0.000 0.984 370 R CB 0.507 30.551 30.300 -0.426 0.000 1.003 370 R HN 0.614 nan 8.270 nan 0.000 0.459 371 H N 4.074 122.858 119.070 -0.476 0.000 2.353 371 H HA -0.220 4.842 4.556 0.844 0.000 0.298 371 H C 1.017 176.155 175.328 -0.317 0.000 1.103 371 H CA 2.537 58.364 56.048 -0.369 0.000 1.293 371 H CB 0.328 29.534 29.762 -0.927 0.000 1.372 371 H HN 0.800 nan 8.280 nan 0.000 0.501 372 D N 0.739 120.971 120.400 -0.280 0.000 2.149 372 D HA -0.179 4.968 4.640 0.845 0.000 0.198 372 D C 1.880 178.009 176.300 -0.285 0.000 0.990 372 D CA 1.134 54.998 54.000 -0.225 0.000 0.839 372 D CB -0.469 40.241 40.800 -0.149 0.000 0.948 372 D HN 0.216 nan 8.370 nan 0.000 0.460 373 K N -0.203 120.022 120.400 -0.292 0.000 2.360 373 K HA -0.060 4.768 4.320 0.845 0.000 0.201 373 K C 1.537 177.845 176.600 -0.486 0.000 1.046 373 K CA 1.133 57.228 56.287 -0.321 0.000 0.940 373 K CB 0.010 32.365 32.500 -0.242 0.000 0.748 373 K HN 0.420 nan 8.250 nan 0.000 0.465 374 V N -3.564 116.001 119.914 -0.582 0.000 3.172 374 V HA 0.241 4.868 4.120 0.845 0.000 0.343 374 V C 1.208 176.922 176.094 -0.633 0.000 1.429 374 V CA -0.379 61.506 62.300 -0.692 0.000 1.149 374 V CB 0.033 31.303 31.823 -0.922 0.000 1.106 374 V HN 0.147 nan 8.190 nan 0.000 0.526 375 H N 2.643 121.294 119.070 -0.699 0.000 2.400 375 H HA -0.173 4.892 4.556 0.848 0.000 0.295 375 H C 1.765 176.920 175.328 -0.288 0.000 1.118 375 H CA 2.754 58.432 56.048 -0.616 0.000 1.256 375 H CB 0.069 29.583 29.762 -0.413 0.000 1.365 375 H HN 0.516 nan 8.280 nan 0.000 0.502 376 N N -0.128 118.393 118.700 -0.297 0.000 2.461 376 N HA -0.004 5.243 4.740 0.845 0.000 0.188 376 N C 1.022 176.463 175.510 -0.114 0.000 1.134 376 N CA 0.519 53.465 53.050 -0.174 0.000 0.878 376 N CB 0.296 38.791 38.487 0.014 0.000 0.972 376 N HN 0.481 nan 8.380 nan 0.000 0.456 377 L N -1.467 119.638 121.223 -0.196 0.000 2.616 377 L HA 0.181 5.028 4.340 0.845 0.000 0.229 377 L C 1.684 178.600 176.870 0.076 0.000 1.110 377 L CA -0.074 54.749 54.840 -0.028 0.000 0.884 377 L CB -0.214 41.749 42.059 -0.159 0.000 1.115 377 L HN -0.039 nan 8.230 nan 0.000 0.481 378 F N 1.907 121.790 119.950 -0.111 0.000 2.051 378 F HA -0.121 4.916 4.527 0.850 0.000 0.296 378 F C 2.346 178.159 175.800 0.021 0.000 1.122 378 F CA 1.871 59.859 58.000 -0.021 0.000 1.201 378 F CB -0.288 38.743 39.000 0.051 0.000 0.978 378 F HN 0.029 nan 8.300 nan 0.000 0.472 379 G N -0.289 108.738 108.800 0.378 0.000 2.586 379 G HA2 -0.434 4.033 3.960 0.845 0.000 0.218 379 G HA3 -0.434 4.033 3.960 0.845 0.000 0.218 379 G C 1.528 176.582 174.900 0.257 0.000 1.216 379 G CA 1.246 46.526 45.100 0.300 0.000 0.786 379 G HN 0.532 nan 8.290 nan 0.000 0.583 380 Y N 2.355 122.751 120.300 0.161 0.000 2.096 380 Y HA -0.262 4.791 4.550 0.839 0.000 0.276 380 Y C 2.527 178.442 175.900 0.025 0.000 1.209 380 Y CA 2.231 60.433 58.100 0.170 0.000 1.137 380 Y CB -0.578 38.026 38.460 0.241 0.000 0.956 380 Y HN 0.225 nan 8.280 nan 0.000 0.506 381 N N -0.398 118.200 118.700 -0.170 0.000 2.290 381 N HA -0.124 5.123 4.740 0.845 0.000 0.179 381 N C 2.149 177.472 175.510 -0.312 0.000 1.016 381 N CA 1.128 53.938 53.050 -0.400 0.000 0.871 381 N CB -0.403 37.851 38.487 -0.388 0.000 0.987 381 N HN 0.515 nan 8.380 nan 0.000 0.431 382 M N 1.016 120.462 119.600 -0.258 0.000 2.108 382 M HA -0.146 4.842 4.480 0.845 0.000 0.261 382 M C 1.502 177.768 176.300 -0.057 0.000 1.066 382 M CA 1.461 56.662 55.300 -0.165 0.000 1.107 382 M CB -0.219 32.318 32.600 -0.105 0.000 1.356 382 M HN -0.036 nan 8.290 nan 0.000 0.406 383 T N 0.043 114.578 114.554 -0.031 0.000 2.821 383 T HA -0.140 4.717 4.350 0.845 0.000 0.267 383 T C 1.745 176.300 174.700 -0.242 0.000 1.046 383 T CA 1.523 63.602 62.100 -0.035 0.000 1.139 383 T CB -0.395 68.555 68.868 0.136 0.000 0.871 383 T HN 0.486 nan 8.240 nan 0.000 0.454 384 R N 1.129 121.385 120.500 -0.407 0.000 2.096 384 R HA -0.047 4.800 4.340 0.845 0.000 0.235 384 R C 2.552 178.473 176.300 -0.630 0.000 1.127 384 R CA 1.404 56.978 56.100 -0.877 0.000 0.968 384 R CB -0.436 29.292 30.300 -0.952 0.000 0.861 384 R HN 0.365 nan 8.270 nan 0.000 0.440 385 A N 0.666 123.248 122.820 -0.396 0.000 1.902 385 A HA -0.108 4.719 4.320 0.845 0.000 0.217 385 A C 2.341 179.700 177.584 -0.375 0.000 1.181 385 A CA 1.742 53.620 52.037 -0.265 0.000 0.623 385 A CB -0.742 18.231 19.000 -0.045 0.000 0.818 385 A HN 0.552 nan 8.150 nan 0.000 0.443 386 A N -0.767 121.708 122.820 -0.576 0.000 1.929 386 A HA 0.232 5.060 4.320 0.845 0.000 0.216 386 A C 2.366 179.037 177.584 -1.522 0.000 1.176 386 A CA 1.662 52.971 52.037 -1.214 0.000 0.628 386 A CB -1.198 16.718 19.000 -1.806 0.000 0.816 386 A HN 0.692 nan 8.150 nan 0.000 0.444 387 G N -0.692 107.491 108.800 -1.028 0.000 2.422 387 G HA2 -0.156 4.311 3.960 0.845 0.000 0.218 387 G HA3 -0.156 4.311 3.960 0.845 0.000 0.218 387 G C 1.440 176.213 174.900 -0.212 0.000 1.140 387 G CA 1.001 45.742 45.100 -0.599 0.000 0.775 387 G HN 0.602 nan 8.290 nan 0.000 0.545 388 E N 0.195 120.244 120.200 -0.252 0.000 2.072 388 E HA 0.072 4.929 4.350 0.845 0.000 0.190 388 E C 2.891 179.434 176.600 -0.094 0.000 0.982 388 E CA 0.711 57.049 56.400 -0.103 0.000 0.803 388 E CB -0.132 29.483 29.700 -0.141 0.000 0.755 388 E HN 0.346 nan 8.360 nan 0.000 0.453 389 A N 1.043 123.739 122.820 -0.206 0.000 1.873 389 A HA -0.230 4.597 4.320 0.845 0.000 0.218 389 A C 1.864 179.455 177.584 0.011 0.000 1.193 389 A CA 1.511 53.466 52.037 -0.137 0.000 0.629 389 A CB -0.967 17.895 19.000 -0.230 0.000 0.826 389 A HN 0.260 nan 8.150 nan 0.000 0.447 390 F N 0.085 119.895 119.950 -0.233 0.000 2.063 390 F HA -0.242 4.415 4.527 0.216 0.000 0.298 390 F C 2.365 178.180 175.800 0.025 0.000 1.105 390 F CA 1.699 59.576 58.000 -0.205 0.000 1.215 390 F CB -1.477 37.439 39.000 -0.139 0.000 0.972 390 F HN 0.378 nan 8.300 nan 0.000 0.483 391 E N -0.667 119.684 120.200 0.251 0.000 2.160 391 E HA -0.208 4.649 4.350 0.845 0.000 0.195 391 E C 2.235 178.913 176.600 0.130 0.000 0.991 391 E CA 1.042 57.556 56.400 0.189 0.000 0.810 391 E CB -0.167 29.625 29.700 0.153 0.000 0.742 391 E HN 0.241 nan 8.360 nan 0.000 0.466 392 R N -0.565 119.993 120.500 0.096 0.000 2.297 392 R HA 0.072 4.919 4.340 0.845 0.000 0.197 392 R C 1.246 177.584 176.300 0.064 0.000 0.943 392 R CA 0.175 56.311 56.100 0.061 0.000 1.038 392 R CB 0.318 30.635 30.300 0.028 0.000 0.957 392 R HN 0.098 nan 8.270 nan 0.000 0.484 393 I N -0.868 119.755 120.570 0.089 0.000 2.900 393 I HA 0.034 4.711 4.170 0.845 0.000 0.251 393 I C -0.018 176.175 176.117 0.127 0.000 1.102 393 I CA 0.795 62.150 61.300 0.091 0.000 1.457 393 I CB 0.561 38.603 38.000 0.070 0.000 1.285 393 I HN -0.123 nan 8.210 nan 0.000 0.459 394 D N -0.466 120.049 120.400 0.192 0.000 2.319 394 D HA 0.229 5.376 4.640 0.845 0.000 0.237 394 D C -2.234 174.196 176.300 0.216 0.000 1.353 394 D CA -1.466 52.649 54.000 0.191 0.000 0.992 394 D CB 1.568 42.500 40.800 0.220 0.000 1.368 394 D HN -0.101 nan 8.370 nan 0.000 0.564 395 P HA 0.029 nan 4.420 nan 0.000 0.233 395 P C 0.716 178.088 177.300 0.119 0.000 1.167 395 P CA 0.539 63.727 63.100 0.147 0.000 0.770 395 P CB 0.559 32.317 31.700 0.098 0.000 0.837 396 E N -0.606 119.653 120.200 0.097 0.000 2.474 396 E HA 0.082 4.939 4.350 0.845 0.000 0.195 396 E C 0.436 177.141 176.600 0.174 0.000 1.039 396 E CA 0.203 56.648 56.400 0.075 0.000 0.881 396 E CB 0.233 29.921 29.700 -0.019 0.000 0.970 396 E HN 0.295 nan 8.360 nan 0.000 0.486 397 K N 1.136 121.604 120.400 0.114 0.000 2.292 397 K HA 0.317 5.144 4.320 0.845 0.000 0.257 397 K C -0.526 175.953 176.600 -0.202 0.000 0.940 397 K CA -0.613 55.621 56.287 -0.087 0.000 0.811 397 K CB 1.230 33.592 32.500 -0.231 0.000 1.120 397 K HN -0.180 nan 8.250 nan 0.000 0.428 398 R N 3.281 123.635 120.500 -0.243 0.000 2.340 398 R HA 0.251 5.098 4.340 0.845 0.000 0.300 398 R C -0.730 175.367 176.300 -0.339 0.000 1.069 398 R CA -0.188 55.834 56.100 -0.130 0.000 0.984 398 R CB 0.375 30.610 30.300 -0.109 0.000 1.003 398 R HN 0.313 nan 8.270 nan 0.000 0.459 399 F N 2.081 122.065 119.950 0.057 0.000 2.469 399 F HA 0.224 5.199 4.527 0.747 0.000 0.332 399 F C 0.259 176.202 175.800 0.238 0.000 1.103 399 F CA -1.349 56.654 58.000 0.005 0.000 0.979 399 F CB 1.210 39.894 39.000 -0.527 0.000 1.137 399 F HN 0.276 nan 8.300 nan 0.000 0.463 400 L N 4.585 125.989 121.223 0.301 0.000 2.601 400 L HA 0.227 5.074 4.340 0.845 0.000 0.277 400 L C -0.459 176.724 176.870 0.523 0.000 1.219 400 L CA 0.562 55.593 54.840 0.319 0.000 0.915 400 L CB -0.021 42.180 42.059 0.236 0.000 1.160 400 L HN 0.718 nan 8.230 nan 0.000 0.494 401 M N 7.297 127.158 119.600 0.434 0.000 2.284 401 M HA 0.599 5.586 4.480 0.845 0.000 0.281 401 M C -1.824 174.695 176.300 0.365 0.000 1.083 401 M CA -0.442 55.070 55.300 0.354 0.000 0.965 401 M CB 1.505 34.251 32.600 0.244 0.000 1.717 401 M HN 0.436 nan 8.290 nan 0.000 0.479 402 F N 1.237 121.394 119.950 0.345 0.000 2.631 402 F HA 0.938 5.967 4.527 0.837 0.000 0.308 402 F C -1.093 175.040 175.800 0.554 0.000 1.097 402 F CA -0.737 57.509 58.000 0.410 0.000 0.952 402 F CB 1.421 40.691 39.000 0.452 0.000 1.307 402 F HN 0.546 nan 8.300 nan 0.000 0.450 403 S N 1.162 117.285 115.700 0.705 0.000 2.667 403 S HA 0.572 5.549 4.470 0.845 0.000 0.292 403 S C 0.346 175.211 174.600 0.442 0.000 1.126 403 S CA -0.783 57.769 58.200 0.587 0.000 0.881 403 S CB 2.019 65.443 63.200 0.372 0.000 1.132 403 S HN 0.777 nan 8.310 nan 0.000 0.492 404 R N 0.868 121.430 120.500 0.104 0.000 2.043 404 R HA 0.148 4.995 4.340 0.845 0.000 0.221 404 R C 1.141 177.347 176.300 -0.157 0.000 1.196 404 R CA 0.575 56.413 56.100 -0.437 0.000 0.949 404 R CB -1.026 28.884 30.300 -0.650 0.000 0.838 404 R HN 0.636 nan 8.270 nan 0.000 0.446 405 S N 0.730 116.437 115.700 0.012 0.000 2.589 405 S HA 0.147 5.124 4.470 0.845 0.000 0.265 405 S C -0.192 174.510 174.600 0.170 0.000 1.342 405 S CA -0.015 58.254 58.200 0.114 0.000 1.005 405 S CB 0.520 63.799 63.200 0.131 0.000 0.909 405 S HN 0.459 nan 8.310 nan 0.000 0.555 406 S N 1.691 117.511 115.700 0.200 0.000 2.615 406 S HA 0.571 5.549 4.470 0.845 0.000 0.268 406 S C -1.674 173.163 174.600 0.396 0.000 1.146 406 S CA -0.872 57.523 58.200 0.325 0.000 0.818 406 S CB 0.877 64.242 63.200 0.274 0.000 1.111 406 S HN 0.893 nan 8.310 nan 0.000 0.465 407 Y N 0.340 120.828 120.300 0.314 0.000 2.504 407 Y HA 0.634 5.689 4.550 0.841 0.000 0.344 407 Y C -0.732 175.327 175.900 0.265 0.000 1.023 407 Y CA -1.135 57.126 58.100 0.268 0.000 1.020 407 Y CB 1.152 39.687 38.460 0.124 0.000 1.282 407 Y HN 0.902 nan 8.280 nan 0.000 0.454 408 I N 5.155 125.722 120.570 -0.006 0.000 2.752 408 I HA 0.158 4.835 4.170 0.845 0.000 0.289 408 I C 1.064 177.143 176.117 -0.063 0.000 1.197 408 I CA 2.483 63.817 61.300 0.057 0.000 1.432 408 I CB 0.223 38.225 38.000 0.004 0.000 1.359 408 I HN 0.949 nan 8.210 nan 0.000 0.571 409 G N 4.623 113.453 108.800 0.050 0.000 2.541 409 G HA2 -0.259 4.208 3.960 0.845 0.000 0.201 409 G HA3 -0.259 4.208 3.960 0.845 0.000 0.201 409 G C 0.880 175.769 174.900 -0.019 0.000 1.026 409 G CA 0.213 45.266 45.100 -0.077 0.000 0.687 409 G HN 0.506 nan 8.290 nan 0.000 0.492 410 M N 1.960 121.563 119.600 0.005 0.000 2.374 410 M HA -0.008 4.979 4.480 0.845 0.000 0.264 410 M C 2.404 178.846 176.300 0.236 0.000 1.067 410 M CA 2.000 57.608 55.300 0.514 0.000 1.103 410 M CB -0.456 32.544 32.600 0.667 0.000 1.402 410 M HN 0.633 nan 8.290 nan 0.000 0.444 411 H N -0.550 118.366 119.070 -0.258 0.000 2.489 411 H HA -0.122 4.949 4.556 0.859 0.000 0.295 411 H C 1.131 176.355 175.328 -0.173 0.000 1.082 411 H CA 1.066 56.807 56.048 -0.512 0.000 1.295 411 H CB -0.783 28.350 29.762 -1.047 0.000 1.380 411 H HN 0.460 nan 8.280 nan 0.000 0.548 412 R N -0.457 119.509 120.500 -0.890 0.000 2.313 412 R HA 0.047 4.895 4.340 0.845 0.000 0.199 412 R C 0.590 176.577 176.300 -0.522 0.000 0.958 412 R CA 0.525 56.184 56.100 -0.735 0.000 1.047 412 R CB 0.137 29.835 30.300 -1.004 0.000 0.955 412 R HN 0.365 nan 8.270 nan 0.000 0.481 413 Y N -1.289 119.029 120.300 0.031 0.000 2.652 413 Y HA 0.379 5.394 4.550 0.774 0.000 0.275 413 Y C 1.287 177.064 175.900 -0.205 0.000 1.133 413 Y CA 0.139 58.250 58.100 0.018 0.000 1.246 413 Y CB 0.885 39.346 38.460 0.002 0.000 1.334 413 Y HN 0.040 nan 8.280 nan 0.000 0.493 414 G N -0.997 107.728 108.800 -0.125 0.000 2.634 414 G HA2 0.496 4.963 3.960 0.845 0.000 0.309 414 G HA3 0.496 4.963 3.960 0.845 0.000 0.309 414 G C -0.744 174.180 174.900 0.041 0.000 1.299 414 G CA -0.160 44.603 45.100 -0.562 0.000 0.798 414 G HN 0.268 nan 8.290 nan 0.000 0.490 415 G N -1.499 107.483 108.800 0.303 0.000 2.938 415 G HA2 0.617 5.085 3.960 0.845 0.000 0.258 415 G HA3 0.617 5.085 3.960 0.845 0.000 0.258 415 G C -1.289 173.947 174.900 0.559 0.000 1.356 415 G CA -0.622 44.823 45.100 0.574 0.000 1.052 415 G HN 0.513 nan 8.290 nan 0.000 0.550 416 I N -0.021 120.799 120.570 0.416 0.000 2.619 416 I HA 0.418 5.095 4.170 0.845 0.000 0.292 416 I C -1.595 174.688 176.117 0.276 0.000 1.100 416 I CA -0.756 60.729 61.300 0.308 0.000 1.043 416 I CB 1.848 39.883 38.000 0.060 0.000 1.239 416 I HN 0.813 nan 8.210 nan 0.000 0.420 417 W N 9.018 130.380 121.300 0.103 0.000 2.683 417 W HA 0.737 5.901 4.660 0.839 0.000 0.329 417 W C -1.296 175.216 176.519 -0.012 0.000 1.037 417 W CA -0.942 56.404 57.345 0.001 0.000 1.232 417 W CB 1.159 30.632 29.460 0.022 0.000 1.390 417 W HN 0.383 nan 8.180 nan 0.000 0.465 418 M N 4.481 124.025 119.600 -0.093 0.000 2.598 418 M HA 0.973 5.960 4.480 0.845 0.000 0.317 418 M C -0.012 176.263 176.300 -0.041 0.000 1.201 418 M CA -0.779 54.443 55.300 -0.130 0.000 0.971 418 M CB 1.578 34.187 32.600 0.015 0.000 1.657 418 M HN 1.096 nan 8.290 nan 0.000 0.470 419 G N 1.499 110.290 108.800 -0.015 0.000 2.307 419 G HA2 0.261 4.728 3.960 0.845 0.000 0.348 419 G HA3 0.261 4.728 3.960 0.845 0.000 0.348 419 G C -2.002 172.832 174.900 -0.111 0.000 1.603 419 G CA -0.515 44.550 45.100 -0.057 0.000 0.961 419 G HN 1.056 nan 8.290 nan 0.000 0.686 420 D N -0.689 119.550 120.400 -0.269 0.000 2.627 420 D HA 0.427 5.574 4.640 0.845 0.000 0.259 420 D C 0.312 176.549 176.300 -0.105 0.000 1.164 420 D CA -0.899 52.928 54.000 -0.288 0.000 1.087 420 D CB 0.420 40.851 40.800 -0.615 0.000 1.217 420 D HN 0.422 nan 8.370 nan 0.000 0.630 421 N N -0.068 118.607 118.700 -0.042 0.000 3.298 421 N HA 0.220 5.467 4.740 0.845 0.000 0.292 421 N C -0.764 174.786 175.510 0.067 0.000 1.271 421 N CA -0.323 52.745 53.050 0.031 0.000 1.184 421 N CB 0.171 38.694 38.487 0.060 0.000 1.452 421 N HN 0.299 nan 8.380 nan 0.000 0.534 422 K N -0.531 119.796 120.400 -0.122 0.000 2.572 422 K HA 0.256 5.083 4.320 0.845 0.000 0.263 422 K C -1.293 175.070 176.600 -0.395 0.000 0.932 422 K CA -0.465 55.646 56.287 -0.293 0.000 0.838 422 K CB 1.818 33.863 32.500 -0.758 0.000 1.366 422 K HN 0.003 nan 8.250 nan 0.000 0.425 423 S N 2.471 118.041 115.700 -0.217 0.000 2.665 423 S HA 0.331 5.308 4.470 0.845 0.000 0.230 423 S C -1.265 173.393 174.600 0.097 0.000 1.326 423 S CA -0.729 57.402 58.200 -0.116 0.000 1.055 423 S CB -0.057 63.092 63.200 -0.086 0.000 1.178 423 S HN 0.273 nan 8.310 nan 0.000 0.489 424 W N 0.820 122.059 121.300 -0.100 0.000 2.632 424 W HA 0.375 5.543 4.660 0.847 0.000 0.328 424 W C 0.279 176.752 176.519 -0.076 0.000 1.044 424 W CA -2.424 54.853 57.345 -0.113 0.000 1.225 424 W CB 0.053 29.355 29.460 -0.264 0.000 1.396 424 W HN 0.638 nan 8.180 nan 0.000 0.499 425 W N 1.131 122.589 121.300 0.264 0.000 2.305 425 W HA -0.294 4.874 4.660 0.847 0.000 0.308 425 W C 2.581 179.254 176.519 0.257 0.000 1.226 425 W CA 2.924 60.414 57.345 0.241 0.000 1.253 425 W CB -1.189 28.384 29.460 0.188 0.000 1.146 425 W HN 0.392 nan 8.180 nan 0.000 0.507 426 S N -1.172 114.769 115.700 0.402 0.000 2.440 426 S HA -0.258 4.719 4.470 0.845 0.000 0.238 426 S C 1.498 176.289 174.600 0.318 0.000 1.010 426 S CA 1.653 60.022 58.200 0.281 0.000 0.972 426 S CB -0.700 62.598 63.200 0.164 0.000 0.774 426 S HN 0.339 nan 8.310 nan 0.000 0.501 427 H N 0.765 120.028 119.070 0.322 0.000 2.548 427 H HA 0.365 5.429 4.556 0.847 0.000 0.268 427 H C 1.798 177.251 175.328 0.208 0.000 0.975 427 H CA 0.425 56.609 56.048 0.227 0.000 1.195 427 H CB -0.237 29.610 29.762 0.141 0.000 1.397 427 H HN 0.491 nan 8.280 nan 0.000 0.572 428 I N -0.434 120.347 120.570 0.352 0.000 2.286 428 I HA -0.203 4.475 4.170 0.845 0.000 0.245 428 I C 2.152 178.375 176.117 0.177 0.000 1.104 428 I CA 0.606 62.093 61.300 0.311 0.000 1.397 428 I CB -0.028 38.194 38.000 0.369 0.000 1.072 428 I HN 0.115 nan 8.210 nan 0.000 0.417 429 L N 0.437 121.711 121.223 0.086 0.000 2.156 429 L HA -0.098 4.749 4.340 0.845 0.000 0.208 429 L C 2.117 178.975 176.870 -0.019 0.000 1.095 429 L CA 1.513 56.275 54.840 -0.130 0.000 0.770 429 L CB -0.591 41.246 42.059 -0.371 0.000 0.914 429 L HN 0.194 nan 8.230 nan 0.000 0.439 430 L N -0.515 120.771 121.223 0.105 0.000 1.994 430 L HA -0.266 4.581 4.340 0.845 0.000 0.208 430 L C 2.012 178.925 176.870 0.072 0.000 1.071 430 L CA 2.259 57.175 54.840 0.128 0.000 0.745 430 L CB -0.604 41.628 42.059 0.288 0.000 0.892 430 L HN 0.461 nan 8.230 nan 0.000 0.431 431 N N -0.369 118.386 118.700 0.092 0.000 2.166 431 N HA -0.214 5.034 4.740 0.845 0.000 0.186 431 N C 1.937 177.431 175.510 -0.026 0.000 1.019 431 N CA 0.712 53.791 53.050 0.048 0.000 0.856 431 N CB -0.007 38.541 38.487 0.102 0.000 0.993 431 N HN 0.280 nan 8.380 nan 0.000 0.426 432 L N 1.810 123.012 121.223 -0.035 0.000 1.956 432 L HA -0.239 4.608 4.340 0.845 0.000 0.216 432 L C 1.904 178.682 176.870 -0.154 0.000 1.073 432 L CA 1.973 56.743 54.840 -0.118 0.000 0.762 432 L CB -0.481 41.525 42.059 -0.089 0.000 0.889 432 L HN 0.107 nan 8.230 nan 0.000 0.433 433 K N -0.822 119.518 120.400 -0.100 0.000 2.113 433 K HA -0.241 4.586 4.320 0.845 0.000 0.208 433 K C 2.030 178.582 176.600 -0.080 0.000 1.047 433 K CA 1.870 58.106 56.287 -0.084 0.000 0.928 433 K CB -0.213 32.259 32.500 -0.047 0.000 0.716 433 K HN 0.237 nan 8.250 nan 0.000 0.446 434 M N 0.081 119.645 119.600 -0.060 0.000 2.159 434 M HA -0.141 4.846 4.480 0.845 0.000 0.263 434 M C 1.538 177.807 176.300 -0.052 0.000 1.063 434 M CA 1.373 56.648 55.300 -0.040 0.000 1.110 434 M CB -0.021 32.573 32.600 -0.011 0.000 1.374 434 M HN 0.079 nan 8.290 nan 0.000 0.411 435 L N -0.414 120.742 121.223 -0.112 0.000 2.042 435 L HA -0.191 4.656 4.340 0.845 0.000 0.210 435 L C -0.716 176.138 176.870 -0.027 0.000 1.076 435 L CA 1.471 56.246 54.840 -0.109 0.000 0.749 435 L CB -2.253 39.542 42.059 -0.440 0.000 0.893 435 L HN 0.201 nan 8.230 nan 0.000 0.432 436 P HA -0.120 nan 4.420 nan 0.000 0.215 436 P C 1.737 178.999 177.300 -0.063 0.000 1.153 436 P CA 1.454 64.492 63.100 -0.105 0.000 0.853 436 P CB 0.051 31.613 31.700 -0.230 0.000 0.788 437 S N -0.652 115.021 115.700 -0.044 0.000 2.368 437 S HA -0.071 4.906 4.470 0.845 0.000 0.224 437 S C 1.883 176.523 174.600 0.067 0.000 1.029 437 S CA 1.004 59.204 58.200 0.001 0.000 0.988 437 S CB -1.144 62.047 63.200 -0.016 0.000 0.838 437 S HN 0.099 nan 8.310 nan 0.000 0.462 438 L N 1.814 123.082 121.223 0.075 0.000 2.083 438 L HA -0.084 4.763 4.340 0.845 0.000 0.209 438 L C 2.166 179.153 176.870 0.195 0.000 1.083 438 L CA 0.853 55.770 54.840 0.129 0.000 0.752 438 L CB -0.479 41.648 42.059 0.113 0.000 0.899 438 L HN 0.308 nan 8.230 nan 0.000 0.433 439 N N -0.351 118.449 118.700 0.168 0.000 2.573 439 N HA -0.080 5.167 4.740 0.845 0.000 0.187 439 N C 1.620 177.217 175.510 0.146 0.000 1.107 439 N CA 0.903 54.051 53.050 0.165 0.000 0.918 439 N CB 0.160 38.763 38.487 0.193 0.000 0.966 439 N HN 0.435 nan 8.380 nan 0.000 0.448 440 M N -1.318 118.382 119.600 0.168 0.000 2.501 440 M HA 0.055 5.042 4.480 0.845 0.000 0.261 440 M C 1.029 177.511 176.300 0.304 0.000 1.129 440 M CA 0.451 55.909 55.300 0.263 0.000 1.126 440 M CB 0.656 33.415 32.600 0.265 0.000 1.359 440 M HN 0.049 nan 8.290 nan 0.000 0.471 441 C N 0.366 119.790 119.300 0.207 0.000 2.778 441 C HA 0.486 5.454 4.460 0.845 0.000 0.294 441 C C 1.658 176.499 174.990 -0.249 0.000 1.331 441 C CA 0.087 59.189 59.018 0.139 0.000 1.741 441 C CB -0.900 26.992 27.740 0.254 0.000 2.106 441 C HN 0.853 nan 8.230 nan 0.000 0.603 442 G N 1.007 109.657 108.800 -0.250 0.000 2.299 442 G HA2 -0.258 4.209 3.960 0.845 0.000 0.237 442 G HA3 -0.258 4.209 3.960 0.845 0.000 0.237 442 G C 0.003 174.740 174.900 -0.272 0.000 1.027 442 G CA -0.299 44.520 45.100 -0.468 0.000 0.619 442 G HN 0.441 nan 8.290 nan 0.000 0.513 443 F N 1.859 121.814 119.950 0.008 0.000 2.512 443 F HA 0.583 5.615 4.527 0.842 0.000 0.350 443 F C 1.825 177.698 175.800 0.121 0.000 1.212 443 F CA 0.270 58.328 58.000 0.097 0.000 1.099 443 F CB 0.503 39.520 39.000 0.030 0.000 1.238 443 F HN 0.036 nan 8.300 nan 0.000 0.600 444 M N 1.475 121.237 119.600 0.271 0.000 2.552 444 M HA -0.014 4.973 4.480 0.845 0.000 0.264 444 M C 0.296 176.803 176.300 0.346 0.000 1.159 444 M CA 0.450 55.877 55.300 0.211 0.000 1.176 444 M CB 0.238 32.812 32.600 -0.043 0.000 1.327 444 M HN 0.391 nan 8.290 nan 0.000 0.481 445 Y N 3.077 123.583 120.300 0.343 0.000 2.568 445 Y HA 0.184 5.250 4.550 0.860 0.000 0.338 445 Y C 0.127 176.129 175.900 0.169 0.000 1.245 445 Y CA -0.393 57.849 58.100 0.236 0.000 1.667 445 Y CB -0.223 38.401 38.460 0.275 0.000 1.568 445 Y HN 0.007 nan 8.280 nan 0.000 0.471 446 T N 1.120 115.560 114.554 -0.190 0.000 2.907 446 T HA 0.928 5.785 4.350 0.845 0.000 0.292 446 T C -0.154 174.375 174.700 -0.285 0.000 1.043 446 T CA -0.408 61.584 62.100 -0.180 0.000 1.003 446 T CB 1.887 70.779 68.868 0.040 0.000 1.084 446 T HN 0.667 nan 8.240 nan 0.000 0.483 447 G N -0.114 108.540 108.800 -0.244 0.000 2.682 447 G HA2 0.816 5.283 3.960 0.845 0.000 0.290 447 G HA3 0.816 5.283 3.960 0.845 0.000 0.290 447 G C -1.328 173.564 174.900 -0.014 0.000 1.425 447 G CA -0.532 44.464 45.100 -0.174 0.000 0.807 447 G HN 1.145 nan 8.290 nan 0.000 0.482 448 A N -0.378 122.478 122.820 0.060 0.000 2.387 448 A HA 0.868 5.695 4.320 0.845 0.000 0.303 448 A C -1.572 176.248 177.584 0.393 0.000 1.145 448 A CA -0.539 51.624 52.037 0.210 0.000 0.801 448 A CB 2.141 21.277 19.000 0.226 0.000 1.342 448 A HN 0.494 nan 8.150 nan 0.000 0.440 449 D N -0.278 120.345 120.400 0.372 0.000 2.780 449 D HA 0.460 5.607 4.640 0.845 0.000 0.242 449 D C -1.237 175.025 176.300 -0.064 0.000 1.135 449 D CA -0.197 53.971 54.000 0.281 0.000 0.859 449 D CB 1.777 42.737 40.800 0.265 0.000 1.530 449 D HN 0.207 nan 8.370 nan 0.000 0.493 450 L N 2.782 123.723 121.223 -0.471 0.000 2.384 450 L HA 0.317 5.164 4.340 0.845 0.000 0.258 450 L C 1.719 178.473 176.870 -0.193 0.000 1.266 450 L CA 0.279 54.803 54.840 -0.525 0.000 1.162 450 L CB -0.002 41.548 42.059 -0.849 0.000 1.375 450 L HN 0.691 nan 8.230 nan 0.000 0.420 451 G N 1.680 110.430 108.800 -0.084 0.000 2.498 451 G HA2 0.140 4.607 3.960 0.845 0.000 0.219 451 G HA3 0.140 4.607 3.960 0.845 0.000 0.219 451 G C 0.881 175.787 174.900 0.010 0.000 1.119 451 G CA 0.383 45.500 45.100 0.029 0.000 0.766 451 G HN 0.885 nan 8.290 nan 0.000 0.552 452 G N -1.471 107.300 108.800 -0.047 0.000 2.825 452 G HA2 -0.190 4.278 3.960 0.845 0.000 0.686 452 G HA3 -0.190 4.278 3.960 0.845 0.000 0.686 452 G C -0.025 174.919 174.900 0.073 0.000 1.362 452 G CA -0.193 44.899 45.100 -0.013 0.000 0.975 452 G HN 0.343 nan 8.290 nan 0.000 0.594 453 F N 3.220 123.138 119.950 -0.055 0.000 2.663 453 F HA 0.418 5.452 4.527 0.845 0.000 0.299 453 F C 1.996 177.783 175.800 -0.021 0.000 1.143 453 F CA 1.320 59.310 58.000 -0.017 0.000 1.387 453 F CB -0.076 38.946 39.000 0.037 0.000 1.019 453 F HN 1.625 nan 8.300 nan 0.000 0.523 454 G N 0.804 109.606 108.800 0.003 0.000 4.951 454 G HA2 -0.411 4.056 3.960 0.845 0.000 0.295 454 G HA3 -0.411 4.056 3.960 0.845 0.000 0.295 454 G C 1.014 175.925 174.900 0.019 0.000 1.540 454 G CA 0.330 45.409 45.100 -0.035 0.000 1.044 454 G HN 0.358 nan 8.290 nan 0.000 0.731 455 D N 1.441 121.887 120.400 0.077 0.000 2.349 455 D HA 0.116 5.263 4.640 0.845 0.000 0.224 455 D C 0.969 177.353 176.300 0.139 0.000 1.029 455 D CA 1.151 55.222 54.000 0.119 0.000 0.879 455 D CB -0.198 40.681 40.800 0.131 0.000 0.906 455 D HN 0.427 nan 8.370 nan 0.000 0.528 456 D N 0.637 121.114 120.400 0.128 0.000 2.340 456 D HA -0.009 5.138 4.640 0.845 0.000 0.220 456 D C 0.056 176.408 176.300 0.087 0.000 1.039 456 D CA 0.343 54.428 54.000 0.142 0.000 0.866 456 D CB 0.108 41.021 40.800 0.188 0.000 0.913 456 D HN 0.079 nan 8.370 nan 0.000 0.523 457 T N 1.770 116.316 114.554 -0.014 0.000 2.727 457 T HA 0.223 5.080 4.350 0.845 0.000 0.295 457 T C 0.882 175.526 174.700 -0.093 0.000 0.915 457 T CA -0.331 61.698 62.100 -0.118 0.000 1.066 457 T CB 0.780 69.486 68.868 -0.272 0.000 0.891 457 T HN 0.113 nan 8.240 nan 0.000 0.516 458 T N 1.221 115.817 114.554 0.070 0.000 2.788 458 T HA 0.346 5.203 4.350 0.845 0.000 0.280 458 T C 1.468 176.303 174.700 0.224 0.000 0.984 458 T CA -0.982 61.263 62.100 0.240 0.000 0.972 458 T CB 1.334 70.379 68.868 0.295 0.000 1.039 458 T HN 0.478 nan 8.240 nan 0.000 0.530 459 R N 0.612 121.358 120.500 0.410 0.000 2.080 459 R HA -0.145 4.702 4.340 0.845 0.000 0.236 459 R C 2.133 178.622 176.300 0.315 0.000 1.137 459 R CA 2.256 58.620 56.100 0.439 0.000 0.943 459 R CB -0.560 29.992 30.300 0.420 0.000 0.846 459 R HN 0.915 nan 8.270 nan 0.000 0.431 460 D N 0.605 121.184 120.400 0.298 0.000 2.117 460 D HA -0.225 4.922 4.640 0.845 0.000 0.197 460 D C 1.966 178.438 176.300 0.287 0.000 0.987 460 D CA 1.003 55.202 54.000 0.332 0.000 0.829 460 D CB -0.673 40.375 40.800 0.412 0.000 0.961 460 D HN 0.291 nan 8.370 nan 0.000 0.460 461 L N -0.315 120.967 121.223 0.098 0.000 2.017 461 L HA -0.071 4.776 4.340 0.845 0.000 0.208 461 L C 2.275 179.015 176.870 -0.216 0.000 1.073 461 L CA 1.234 55.755 54.840 -0.532 0.000 0.745 461 L CB -0.717 40.957 42.059 -0.643 0.000 0.894 461 L HN 0.083 nan 8.230 nan 0.000 0.432 462 L N -0.379 120.831 121.223 -0.022 0.000 2.017 462 L HA -0.183 4.664 4.340 0.845 0.000 0.208 462 L C 2.308 179.325 176.870 0.246 0.000 1.073 462 L CA 1.886 56.789 54.840 0.104 0.000 0.745 462 L CB -0.903 41.200 42.059 0.074 0.000 0.894 462 L HN 0.337 nan 8.230 nan 0.000 0.432 463 L N -0.954 120.426 121.223 0.262 0.000 2.265 463 L HA -0.161 4.686 4.340 0.845 0.000 0.215 463 L C 2.638 179.631 176.870 0.204 0.000 1.117 463 L CA 0.622 55.613 54.840 0.253 0.000 0.782 463 L CB -0.391 41.791 42.059 0.205 0.000 0.914 463 L HN 0.297 nan 8.230 nan 0.000 0.441 464 R N -0.996 119.626 120.500 0.203 0.000 2.064 464 R HA -0.060 4.787 4.340 0.845 0.000 0.221 464 R C 2.125 178.555 176.300 0.218 0.000 1.136 464 R CA 0.837 57.069 56.100 0.220 0.000 0.980 464 R CB -0.986 29.482 30.300 0.280 0.000 0.876 464 R HN 0.174 nan 8.270 nan 0.000 0.437 465 F N 2.459 122.434 119.950 0.042 0.000 2.063 465 F HA -0.287 4.746 4.527 0.844 0.000 0.298 465 F C 2.036 177.895 175.800 0.099 0.000 1.105 465 F CA 1.754 59.788 58.000 0.056 0.000 1.215 465 F CB -0.531 38.470 39.000 0.001 0.000 0.972 465 F HN -0.096 nan 8.300 nan 0.000 0.483 466 L N -0.083 121.148 121.223 0.012 0.000 2.046 466 L HA -0.170 4.677 4.340 0.845 0.000 0.208 466 L C 2.825 179.653 176.870 -0.069 0.000 1.077 466 L CA 1.141 55.919 54.840 -0.103 0.000 0.747 466 L CB -1.316 40.765 42.059 0.036 0.000 0.896 466 L HN 0.279 nan 8.230 nan 0.000 0.432 467 A N 0.134 122.976 122.820 0.037 0.000 1.978 467 A HA -0.230 4.598 4.320 0.845 0.000 0.220 467 A C 2.237 179.918 177.584 0.161 0.000 1.170 467 A CA 1.906 53.992 52.037 0.083 0.000 0.636 467 A CB -0.617 18.468 19.000 0.142 0.000 0.810 467 A HN 0.380 nan 8.150 nan 0.000 0.448 468 L N -0.342 120.953 121.223 0.119 0.000 2.072 468 L HA 0.120 4.967 4.340 0.845 0.000 0.205 468 L C 2.249 179.200 176.870 0.135 0.000 1.079 468 L CA 2.283 57.227 54.840 0.173 0.000 0.752 468 L CB -0.969 41.145 42.059 0.092 0.000 0.906 468 L HN 0.220 nan 8.230 nan 0.000 0.436 469 G N -1.032 107.701 108.800 -0.112 0.000 2.509 469 G HA2 -0.113 4.354 3.960 0.845 0.000 0.218 469 G HA3 -0.113 4.354 3.960 0.845 0.000 0.218 469 G C 1.476 176.345 174.900 -0.051 0.000 1.124 469 G CA 0.790 45.799 45.100 -0.152 0.000 0.776 469 G HN 0.322 nan 8.290 nan 0.000 0.547 470 V N 0.517 120.365 119.914 -0.110 0.000 2.282 470 V HA -0.226 4.401 4.120 0.845 0.000 0.249 470 V C 2.467 178.377 176.094 -0.306 0.000 1.057 470 V CA 1.947 64.062 62.300 -0.310 0.000 1.032 470 V CB -0.603 30.854 31.823 -0.609 0.000 0.645 470 V HN 0.411 nan 8.190 nan 0.000 0.447 471 F N 0.515 120.554 119.950 0.148 0.000 2.187 471 F HA 0.005 5.039 4.527 0.844 0.000 0.295 471 F C 1.821 177.852 175.800 0.384 0.000 1.091 471 F CA 0.797 58.955 58.000 0.265 0.000 1.308 471 F CB -1.205 37.984 39.000 0.316 0.000 1.030 471 F HN 0.187 nan 8.300 nan 0.000 0.487 472 T N -0.218 114.649 114.554 0.522 0.000 2.933 472 T HA -0.004 4.853 4.350 0.845 0.000 0.306 472 T C -1.831 172.957 174.700 0.147 0.000 1.045 472 T CA -1.222 61.126 62.100 0.414 0.000 1.143 472 T CB 0.993 69.972 68.868 0.185 0.000 1.003 472 T HN -0.112 nan 8.240 nan 0.000 0.540 473 P HA 0.054 nan 4.420 nan 0.000 0.217 473 P C 0.467 177.457 177.300 -0.518 0.000 1.150 473 P CA 0.382 63.319 63.100 -0.271 0.000 0.832 473 P CB 0.044 31.565 31.700 -0.298 0.000 0.787 474 L N -0.246 120.553 121.223 -0.706 0.000 2.261 474 L HA 0.353 5.200 4.340 0.845 0.000 0.289 474 L C -0.312 176.389 176.870 -0.281 0.000 1.059 474 L CA -0.040 54.400 54.840 -0.667 0.000 0.816 474 L CB -0.051 41.429 42.059 -0.965 0.000 1.191 474 L HN -0.158 nan 8.230 nan 0.000 0.431 475 M N 7.074 126.607 119.600 -0.111 0.000 2.114 475 M HA 0.515 5.502 4.480 0.845 0.000 0.332 475 M C -0.910 175.465 176.300 0.126 0.000 1.014 475 M CA -0.528 54.796 55.300 0.040 0.000 0.956 475 M CB 0.554 33.234 32.600 0.133 0.000 1.551 475 M HN 0.797 nan 8.290 nan 0.000 0.427 476 R N 1.846 122.395 120.500 0.081 0.000 2.668 476 R HA 0.495 5.342 4.340 0.845 0.000 0.272 476 R C -1.840 174.543 176.300 0.139 0.000 1.019 476 R CA -0.876 55.213 56.100 -0.018 0.000 0.894 476 R CB 1.311 31.472 30.300 -0.231 0.000 1.228 476 R HN 0.499 nan 8.270 nan 0.000 0.460 477 D N 1.101 121.521 120.400 0.034 0.000 2.514 477 D HA 0.151 5.298 4.640 0.845 0.000 0.267 477 D C -1.276 175.056 176.300 0.054 0.000 1.165 477 D CA -0.444 53.671 54.000 0.191 0.000 0.958 477 D CB 0.275 41.290 40.800 0.359 0.000 0.992 477 D HN 0.657 nan 8.370 nan 0.000 0.506 478 H N 1.731 120.771 119.070 -0.049 0.000 2.690 478 H HA 0.627 5.690 4.556 0.846 0.000 0.280 478 H C -0.719 174.592 175.328 -0.030 0.000 1.138 478 H CA -0.696 55.298 56.048 -0.089 0.000 1.241 478 H CB 0.650 30.272 29.762 -0.234 0.000 1.394 478 H HN 0.346 nan 8.280 nan 0.000 0.489 479 A N 3.870 126.659 122.820 -0.052 0.000 2.306 479 A HA 0.734 5.561 4.320 0.845 0.000 0.314 479 A C -0.126 177.447 177.584 -0.018 0.000 1.164 479 A CA -0.086 51.933 52.037 -0.030 0.000 0.822 479 A CB 0.580 19.518 19.000 -0.102 0.000 1.130 479 A HN 0.797 nan 8.150 nan 0.000 0.496 491 F N 3.696 123.666 119.950 0.033 0.000 2.436 491 F HA 0.251 5.286 4.527 0.846 0.000 0.340 491 F C 0.795 176.835 175.800 0.400 0.000 1.113 491 F CA -0.859 57.243 58.000 0.169 0.000 1.022 491 F CB 1.257 40.344 39.000 0.144 0.000 1.128 491 F HN -0.023 nan 8.300 nan 0.000 0.466 492 E N 2.346 122.702 120.200 0.261 0.000 2.461 492 E HA -0.078 4.779 4.350 0.845 0.000 0.263 492 E C -0.605 176.096 176.600 0.169 0.000 1.143 492 E CA -0.216 56.288 56.400 0.173 0.000 0.994 492 E CB -0.036 29.689 29.700 0.043 0.000 0.973 492 E HN 0.712 nan 8.360 nan 0.000 0.457 493 N N 0.251 118.987 118.700 0.060 0.000 2.614 493 N HA -0.241 5.006 4.740 0.845 0.000 0.276 493 N C 0.202 175.640 175.510 -0.121 0.000 1.119 493 N CA 0.324 53.349 53.050 -0.042 0.000 0.742 493 N CB -0.772 37.652 38.487 -0.105 0.000 0.900 493 N HN 0.575 nan 8.380 nan 0.000 0.549 494 I N 0.887 121.527 120.570 0.115 0.000 2.657 494 I HA -0.265 4.412 4.170 0.845 0.000 0.261 494 I C 2.448 178.625 176.117 0.099 0.000 1.212 494 I CA 1.373 62.851 61.300 0.297 0.000 1.453 494 I CB 0.000 38.149 38.000 0.248 0.000 1.092 494 I HN 0.478 nan 8.210 nan 0.000 0.452 495 E N 0.288 120.478 120.200 -0.017 0.000 2.347 495 E HA -0.238 4.619 4.350 0.845 0.000 0.196 495 E C 0.910 177.463 176.600 -0.078 0.000 1.008 495 E CA 1.254 57.639 56.400 -0.025 0.000 0.852 495 E CB -0.139 29.549 29.700 -0.021 0.000 0.783 495 E HN 0.512 nan 8.360 nan 0.000 0.505 496 D N -0.215 120.055 120.400 -0.217 0.000 2.271 496 D HA 0.002 5.149 4.640 0.845 0.000 0.206 496 D C 1.562 177.750 176.300 -0.186 0.000 0.967 496 D CA 0.432 54.287 54.000 -0.241 0.000 0.867 496 D CB -0.306 40.290 40.800 -0.340 0.000 0.960 496 D HN 0.213 nan 8.370 nan 0.000 0.509 497 F N 1.272 121.242 119.950 0.034 0.000 2.186 497 F HA 0.012 5.046 4.527 0.846 0.000 0.299 497 F C 2.420 178.208 175.800 -0.021 0.000 1.090 497 F CA 0.631 58.642 58.000 0.018 0.000 1.307 497 F CB -0.508 38.516 39.000 0.041 0.000 1.019 497 F HN -0.097 nan 8.300 nan 0.000 0.489 498 R N 0.105 120.701 120.500 0.160 0.000 2.115 498 R HA -0.077 4.770 4.340 0.845 0.000 0.226 498 R C 2.061 178.379 176.300 0.029 0.000 1.100 498 R CA 1.350 57.498 56.100 0.080 0.000 0.980 498 R CB -0.408 29.942 30.300 0.083 0.000 0.875 498 R HN 0.169 nan 8.270 nan 0.000 0.445 499 S N 0.390 116.104 115.700 0.023 0.000 2.368 499 S HA -0.091 4.886 4.470 0.845 0.000 0.225 499 S C 1.908 176.517 174.600 0.014 0.000 1.030 499 S CA 1.381 59.593 58.200 0.019 0.000 0.999 499 S CB -0.083 63.123 63.200 0.010 0.000 0.844 499 S HN 0.170 nan 8.310 nan 0.000 0.459 500 V N 2.510 122.426 119.914 0.004 0.000 2.358 500 V HA -0.121 4.506 4.120 0.845 0.000 0.246 500 V C 2.075 178.116 176.094 -0.088 0.000 1.047 500 V CA 1.200 63.484 62.300 -0.027 0.000 1.035 500 V CB -0.563 31.263 31.823 0.006 0.000 0.658 500 V HN 0.458 nan 8.190 nan 0.000 0.452 501 I N 0.580 121.084 120.570 -0.110 0.000 2.614 501 I HA -0.140 4.537 4.170 0.845 0.000 0.258 501 I C 2.189 178.253 176.117 -0.089 0.000 1.189 501 I CA 1.161 62.352 61.300 -0.181 0.000 1.462 501 I CB -1.540 36.282 38.000 -0.296 0.000 1.092 501 I HN 0.397 nan 8.210 nan 0.000 0.442 502 N N 1.840 120.512 118.700 -0.047 0.000 2.080 502 N HA -0.090 5.157 4.740 0.845 0.000 0.189 502 N C 2.067 177.593 175.510 0.026 0.000 1.036 502 N CA 1.683 54.736 53.050 0.005 0.000 0.846 502 N CB -0.245 38.263 38.487 0.035 0.000 1.015 502 N HN 0.326 nan 8.380 nan 0.000 0.423 503 A N 1.768 124.567 122.820 -0.035 0.000 1.940 503 A HA -0.266 4.561 4.320 0.845 0.000 0.221 503 A C 2.270 179.656 177.584 -0.329 0.000 1.190 503 A CA 2.162 54.043 52.037 -0.261 0.000 0.647 503 A CB -0.620 18.162 19.000 -0.364 0.000 0.821 503 A HN 0.282 nan 8.150 nan 0.000 0.457 504 R N -1.279 119.115 120.500 -0.177 0.000 2.080 504 R HA -0.184 4.663 4.340 0.845 0.000 0.236 504 R C 1.850 178.179 176.300 0.048 0.000 1.137 504 R CA 2.295 58.339 56.100 -0.094 0.000 0.943 504 R CB -1.061 29.245 30.300 0.011 0.000 0.846 504 R HN 0.521 nan 8.270 nan 0.000 0.431 505 Y N 0.715 120.978 120.300 -0.061 0.000 2.242 505 Y HA -0.031 5.027 4.550 0.847 0.000 0.291 505 Y C 2.285 178.191 175.900 0.011 0.000 1.137 505 Y CA 1.592 59.690 58.100 -0.003 0.000 1.181 505 Y CB -0.275 38.196 38.460 0.019 0.000 0.989 505 Y HN 0.095 nan 8.280 nan 0.000 0.527 506 R N -0.314 120.279 120.500 0.155 0.000 2.127 506 R HA -0.165 4.682 4.340 0.845 0.000 0.238 506 R C 1.780 178.140 176.300 0.099 0.000 1.134 506 R CA 1.529 57.715 56.100 0.143 0.000 0.975 506 R CB -0.545 29.901 30.300 0.243 0.000 0.865 506 R HN 0.353 nan 8.270 nan 0.000 0.447 507 L N -0.323 120.908 121.223 0.015 0.000 2.513 507 L HA 0.011 4.858 4.340 0.845 0.000 0.222 507 L C 2.081 178.988 176.870 0.061 0.000 1.096 507 L CA -0.067 54.795 54.840 0.037 0.000 0.857 507 L CB 0.153 42.166 42.059 -0.078 0.000 1.026 507 L HN -0.089 nan 8.230 nan 0.000 0.469 508 V N 1.135 121.041 119.914 -0.013 0.000 2.313 508 V HA -0.248 4.379 4.120 0.845 0.000 0.253 508 V C -0.286 175.786 176.094 -0.036 0.000 1.070 508 V CA 2.310 64.571 62.300 -0.065 0.000 1.057 508 V CB -1.434 30.248 31.823 -0.235 0.000 0.653 508 V HN 0.372 nan 8.190 nan 0.000 0.450 509 P HA -0.132 nan 4.420 nan 0.000 0.218 509 P C 1.528 178.924 177.300 0.160 0.000 1.152 509 P CA 1.265 64.416 63.100 0.086 0.000 0.826 509 P CB -0.104 31.653 31.700 0.095 0.000 0.790 510 Y N 0.943 121.279 120.300 0.060 0.000 2.092 510 Y HA -0.176 4.883 4.550 0.849 0.000 0.282 510 Y C 2.078 178.036 175.900 0.098 0.000 1.126 510 Y CA 1.449 59.582 58.100 0.055 0.000 1.111 510 Y CB -1.304 37.121 38.460 -0.058 0.000 0.987 510 Y HN -0.287 nan 8.280 nan 0.000 0.489 511 L N -0.663 120.506 121.223 -0.090 0.000 2.085 511 L HA -0.342 4.505 4.340 0.845 0.000 0.218 511 L C 2.427 179.215 176.870 -0.136 0.000 1.080 511 L CA 2.192 57.001 54.840 -0.052 0.000 0.776 511 L CB -1.009 41.152 42.059 0.170 0.000 0.891 511 L HN 0.391 nan 8.230 nan 0.000 0.437 512 Y N -0.013 119.998 120.300 -0.481 0.000 2.163 512 Y HA -0.251 4.802 4.550 0.838 0.000 0.288 512 Y C 2.979 178.700 175.900 -0.299 0.000 1.136 512 Y CA 1.502 59.144 58.100 -0.763 0.000 1.147 512 Y CB -0.400 37.647 38.460 -0.688 0.000 0.987 512 Y HN 0.147 nan 8.280 nan 0.000 0.509 513 S N -0.259 115.349 115.700 -0.153 0.000 2.356 513 S HA -0.173 4.805 4.470 0.845 0.000 0.223 513 S C 1.920 176.443 174.600 -0.128 0.000 1.032 513 S CA 1.570 59.726 58.200 -0.073 0.000 1.005 513 S CB -0.392 62.923 63.200 0.192 0.000 0.867 513 S HN 0.499 nan 8.310 nan 0.000 0.449 514 E N -0.195 119.906 120.200 -0.166 0.000 2.338 514 E HA -0.031 4.827 4.350 0.845 0.000 0.197 514 E C 1.431 178.011 176.600 -0.032 0.000 1.007 514 E CA 0.555 56.869 56.400 -0.143 0.000 0.849 514 E CB -0.342 29.104 29.700 -0.424 0.000 0.774 514 E HN 0.843 nan 8.360 nan 0.000 0.506 515 Y N -0.009 120.192 120.300 -0.164 0.000 2.201 515 Y HA -0.127 4.927 4.550 0.839 0.000 0.292 515 Y C 2.133 177.847 175.900 -0.310 0.000 1.119 515 Y CA 1.035 59.049 58.100 -0.143 0.000 1.127 515 Y CB 0.035 38.368 38.460 -0.212 0.000 1.019 515 Y HN -0.098 nan 8.280 nan 0.000 0.514 516 M N 0.883 120.327 119.600 -0.259 0.000 2.080 516 M HA -0.234 4.753 4.480 0.845 0.000 0.260 516 M C 1.972 177.934 176.300 -0.563 0.000 1.068 516 M CA 1.672 56.630 55.300 -0.570 0.000 1.109 516 M CB -1.096 30.799 32.600 -1.175 0.000 1.342 516 M HN 0.255 nan 8.290 nan 0.000 0.405 517 K N -0.166 119.976 120.400 -0.430 0.000 2.113 517 K HA -0.151 4.676 4.320 0.845 0.000 0.208 517 K C 2.029 178.505 176.600 -0.206 0.000 1.047 517 K CA 1.659 57.803 56.287 -0.240 0.000 0.928 517 K CB -0.203 32.242 32.500 -0.092 0.000 0.716 517 K HN 0.338 nan 8.250 nan 0.000 0.446 518 A N 1.252 123.936 122.820 -0.227 0.000 1.872 518 A HA -0.037 4.790 4.320 0.845 0.000 0.214 518 A C 2.373 179.795 177.584 -0.270 0.000 1.187 518 A CA 1.585 53.499 52.037 -0.206 0.000 0.614 518 A CB -0.667 18.220 19.000 -0.188 0.000 0.826 518 A HN 0.319 nan 8.150 nan 0.000 0.442 519 A N 0.089 122.670 122.820 -0.399 0.000 1.892 519 A HA -0.151 4.677 4.320 0.845 0.000 0.218 519 A C 2.092 179.497 177.584 -0.298 0.000 1.188 519 A CA 1.814 53.632 52.037 -0.365 0.000 0.631 519 A CB -0.764 18.010 19.000 -0.376 0.000 0.822 519 A HN 0.516 nan 8.150 nan 0.000 0.447 520 L N -0.943 120.087 121.223 -0.320 0.000 2.395 520 L HA 0.010 4.858 4.340 0.845 0.000 0.218 520 L C 1.459 178.228 176.870 -0.169 0.000 1.130 520 L CA 0.555 55.239 54.840 -0.260 0.000 0.826 520 L CB -0.374 41.529 42.059 -0.260 0.000 0.941 520 L HN 0.335 nan 8.230 nan 0.000 0.451 521 N N -0.168 118.437 118.700 -0.160 0.000 2.235 521 N HA -0.014 5.233 4.740 0.845 0.000 0.209 521 N C -0.518 174.925 175.510 -0.112 0.000 1.122 521 N CA 0.131 53.111 53.050 -0.117 0.000 0.845 521 N CB 0.302 38.733 38.487 -0.093 0.000 1.004 521 N HN 0.086 nan 8.380 nan 0.000 0.499 522 D N 1.508 121.830 120.400 -0.130 0.000 2.704 522 D HA -0.194 4.953 4.640 0.845 0.000 0.232 522 D C -0.386 175.862 176.300 -0.086 0.000 1.183 522 D CA 1.282 55.209 54.000 -0.121 0.000 0.647 522 D CB -0.603 40.120 40.800 -0.127 0.000 1.013 522 D HN 0.407 nan 8.370 nan 0.000 0.415 523 D N -1.098 119.262 120.400 -0.067 0.000 2.781 523 D HA 0.595 5.742 4.640 0.845 0.000 0.295 523 D C -0.493 175.831 176.300 0.040 0.000 1.143 523 D CA -0.534 53.471 54.000 0.008 0.000 1.076 523 D CB 1.041 41.839 40.800 -0.003 0.000 1.444 523 D HN -0.023 nan 8.370 nan 0.000 0.567 524 M N 1.585 121.258 119.600 0.120 0.000 2.321 524 M HA 0.217 5.204 4.480 0.845 0.000 0.315 524 M C -0.256 176.088 176.300 0.074 0.000 1.052 524 M CA -0.805 54.563 55.300 0.114 0.000 0.936 524 M CB 2.387 35.094 32.600 0.179 0.000 1.639 524 M HN 0.489 nan 8.290 nan 0.000 0.433 525 Y N 2.997 123.237 120.300 -0.100 0.000 2.113 525 Y HA 0.047 5.108 4.550 0.852 0.000 0.269 525 Y C 0.023 175.824 175.900 -0.165 0.000 1.098 525 Y CA 1.677 59.667 58.100 -0.183 0.000 1.083 525 Y CB 0.173 38.499 38.460 -0.223 0.000 0.997 525 Y HN 0.446 nan 8.280 nan 0.000 0.476 526 F N 2.347 122.310 119.950 0.021 0.000 2.424 526 F HA 0.323 5.357 4.527 0.844 0.000 0.356 526 F C -0.012 175.712 175.800 -0.126 0.000 1.110 526 F CA -0.362 57.584 58.000 -0.090 0.000 1.161 526 F CB 0.633 39.643 39.000 0.017 0.000 1.115 526 F HN -0.084 nan 8.300 nan 0.000 0.507 527 K N 5.029 125.433 120.400 0.006 0.000 2.203 527 K HA 0.500 5.327 4.320 0.845 0.000 0.251 527 K C -2.624 173.835 176.600 -0.236 0.000 0.944 527 K CA -1.978 54.183 56.287 -0.209 0.000 0.829 527 K CB 1.359 33.729 32.500 -0.217 0.000 1.125 527 K HN 0.206 nan 8.250 nan 0.000 0.430 528 P HA 0.044 nan 4.420 nan 0.000 0.272 528 P C 0.309 177.549 177.300 -0.100 0.000 1.223 528 P CA -0.358 62.538 63.100 -0.340 0.000 0.784 528 P CB 0.553 31.892 31.700 -0.600 0.000 0.923 529 L N 2.115 123.362 121.223 0.041 0.000 2.042 529 L HA -0.121 4.726 4.340 0.845 0.000 0.210 529 L C 2.518 179.550 176.870 0.269 0.000 1.076 529 L CA 2.509 57.466 54.840 0.194 0.000 0.749 529 L CB -1.555 40.608 42.059 0.174 0.000 0.893 529 L HN 0.578 nan 8.230 nan 0.000 0.432 530 G N -1.939 107.006 108.800 0.242 0.000 2.501 530 G HA2 -0.271 4.196 3.960 0.845 0.000 0.220 530 G HA3 -0.271 4.196 3.960 0.845 0.000 0.220 530 G C 1.320 176.425 174.900 0.343 0.000 1.114 530 G CA 0.400 45.690 45.100 0.317 0.000 0.757 530 G HN 0.273 nan 8.290 nan 0.000 0.559 531 F N 0.013 119.910 119.950 -0.089 0.000 2.387 531 F HA 0.142 5.175 4.527 0.844 0.000 0.294 531 F C 2.558 178.209 175.800 -0.248 0.000 1.093 531 F CA -0.011 57.844 58.000 -0.241 0.000 1.420 531 F CB -0.194 38.504 39.000 -0.503 0.000 1.086 531 F HN 0.003 nan 8.300 nan 0.000 0.531 532 V N -2.216 117.681 119.914 -0.029 0.000 2.599 532 V HA -0.139 4.488 4.120 0.845 0.000 0.245 532 V C -0.061 175.775 176.094 -0.429 0.000 1.046 532 V CA 0.987 63.109 62.300 -0.296 0.000 1.065 532 V CB -0.644 30.906 31.823 -0.455 0.000 0.703 532 V HN 0.181 nan 8.190 nan 0.000 0.464 533 Y N 0.986 121.330 120.300 0.073 0.000 2.638 533 Y HA 0.384 5.441 4.550 0.845 0.000 0.367 533 Y C -1.680 174.273 175.900 0.089 0.000 1.001 533 Y CA -2.308 55.838 58.100 0.077 0.000 1.133 533 Y CB 0.425 38.936 38.460 0.085 0.000 1.199 533 Y HN 0.181 nan 8.280 nan 0.000 0.642 534 P HA -0.072 nan 4.420 nan 0.000 0.233 534 P C 0.351 177.728 177.300 0.128 0.000 1.167 534 P CA 1.258 64.441 63.100 0.139 0.000 0.770 534 P CB 0.624 32.374 31.700 0.083 0.000 0.837 535 D N -0.992 119.487 120.400 0.131 0.000 2.369 535 D HA 0.015 5.162 4.640 0.845 0.000 0.211 535 D C 0.205 176.570 176.300 0.108 0.000 1.077 535 D CA 0.319 54.382 54.000 0.105 0.000 0.842 535 D CB -0.085 40.767 40.800 0.087 0.000 0.947 535 D HN 0.093 nan 8.370 nan 0.000 0.509 536 D N 1.137 121.623 120.400 0.143 0.000 2.336 536 D HA 0.023 5.170 4.640 0.845 0.000 0.249 536 D C 1.071 177.418 176.300 0.078 0.000 1.213 536 D CA -0.213 53.862 54.000 0.124 0.000 0.870 536 D CB 1.055 41.959 40.800 0.173 0.000 1.076 536 D HN -0.340 nan 8.370 nan 0.000 0.483 537 K N 3.273 123.694 120.400 0.035 0.000 2.365 537 K HA -0.064 4.763 4.320 0.845 0.000 0.199 537 K C 1.473 178.045 176.600 -0.047 0.000 1.045 537 K CA 0.456 56.746 56.287 0.006 0.000 0.962 537 K CB -0.145 32.353 32.500 -0.003 0.000 0.759 537 K HN 0.473 nan 8.250 nan 0.000 0.469 538 M N -0.149 119.386 119.600 -0.108 0.000 2.216 538 M HA 0.074 5.061 4.480 0.845 0.000 0.264 538 M C 1.824 177.972 176.300 -0.254 0.000 1.080 538 M CA 1.283 56.405 55.300 -0.296 0.000 1.153 538 M CB -0.267 31.979 32.600 -0.589 0.000 1.356 538 M HN 0.028 nan 8.290 nan 0.000 0.432 539 A N 1.414 124.195 122.820 -0.065 0.000 1.841 539 A HA -0.170 4.657 4.320 0.845 0.000 0.216 539 A C 2.137 179.775 177.584 0.091 0.000 1.199 539 A CA 2.163 54.255 52.037 0.092 0.000 0.621 539 A CB -1.759 17.358 19.000 0.196 0.000 0.835 539 A HN 0.815 nan 8.150 nan 0.000 0.445 540 I N -3.533 117.107 120.570 0.116 0.000 2.707 540 I HA -0.270 4.407 4.170 0.845 0.000 0.266 540 I C 1.528 177.700 176.117 0.091 0.000 1.215 540 I CA 1.830 63.215 61.300 0.142 0.000 1.442 540 I CB -0.360 37.724 38.000 0.139 0.000 1.108 540 I HN 0.172 nan 8.210 nan 0.000 0.464 541 R N 0.915 121.431 120.500 0.027 0.000 2.373 541 R HA 0.351 5.198 4.340 0.845 0.000 0.221 541 R C 0.537 176.838 176.300 0.001 0.000 0.893 541 R CA 0.012 56.112 56.100 0.000 0.000 1.049 541 R CB 0.055 30.332 30.300 -0.039 0.000 1.119 541 R HN 0.251 nan 8.270 nan 0.000 0.535 542 V N 2.743 122.661 119.914 0.008 0.000 2.599 542 V HA -0.034 4.593 4.120 0.845 0.000 0.300 542 V C 1.257 177.372 176.094 0.036 0.000 1.034 542 V CA 0.859 63.174 62.300 0.025 0.000 1.115 542 V CB 0.823 32.684 31.823 0.063 0.000 0.934 542 V HN 0.269 nan 8.190 nan 0.000 0.485 543 E N 1.784 122.000 120.200 0.026 0.000 2.500 543 E HA 0.005 4.863 4.350 0.845 0.000 0.217 543 E C 0.470 177.063 176.600 -0.011 0.000 0.848 543 E CA 0.357 56.762 56.400 0.008 0.000 1.217 543 E CB 0.397 30.097 29.700 -0.000 0.000 1.217 543 E HN 0.964 nan 8.360 nan 0.000 0.573 544 D N 1.295 121.703 120.400 0.014 0.000 2.370 544 D HA 0.005 5.152 4.640 0.845 0.000 0.230 544 D C 0.069 176.410 176.300 0.069 0.000 1.143 544 D CA 0.112 54.119 54.000 0.012 0.000 0.834 544 D CB -0.013 40.830 40.800 0.072 0.000 0.944 544 D HN 0.071 nan 8.370 nan 0.000 0.504 545 Q N -0.534 119.291 119.800 0.041 0.000 2.462 545 Q HA 0.688 5.535 4.340 0.845 0.000 0.285 545 Q C -1.004 175.004 176.000 0.014 0.000 1.035 545 Q CA -0.858 54.973 55.803 0.046 0.000 0.799 545 Q CB 2.704 31.479 28.738 0.062 0.000 1.452 545 Q HN 0.022 nan 8.270 nan 0.000 0.404 546 L N 0.804 122.041 121.223 0.023 0.000 2.376 546 L HA 0.585 5.432 4.340 0.845 0.000 0.258 546 L C -1.124 175.801 176.870 0.090 0.000 1.013 546 L CA -1.101 53.761 54.840 0.036 0.000 0.822 546 L CB 2.154 44.214 42.059 0.002 0.000 1.388 546 L HN 0.479 nan 8.230 nan 0.000 0.413 547 M N 3.348 123.004 119.600 0.094 0.000 2.131 547 M HA 0.376 5.363 4.480 0.845 0.000 0.345 547 M C -0.634 175.686 176.300 0.032 0.000 1.060 547 M CA -0.278 55.067 55.300 0.076 0.000 1.011 547 M CB 0.836 33.471 32.600 0.058 0.000 1.328 547 M HN 0.404 nan 8.290 nan 0.000 0.396 548 L N 2.490 123.713 121.223 -0.001 0.000 2.380 548 L HA 0.564 5.412 4.340 0.845 0.000 0.273 548 L C 1.232 178.034 176.870 -0.113 0.000 1.138 548 L CA 0.928 55.632 54.840 -0.227 0.000 0.832 548 L CB 0.655 42.554 42.059 -0.266 0.000 1.124 548 L HN 0.920 nan 8.230 nan 0.000 0.454 549 G N 3.952 112.625 108.800 -0.211 0.000 2.594 549 G HA2 -0.371 4.096 3.960 0.845 0.000 0.297 549 G HA3 -0.371 4.096 3.960 0.845 0.000 0.297 549 G C 0.345 175.276 174.900 0.051 0.000 1.273 549 G CA 0.500 45.583 45.100 -0.028 0.000 0.974 549 G HN 0.822 nan 8.290 nan 0.000 0.552 550 N N 0.917 119.701 118.700 0.140 0.000 2.241 550 N HA 0.258 5.505 4.740 0.845 0.000 0.238 550 N C 0.833 176.431 175.510 0.146 0.000 1.244 550 N CA 0.633 53.752 53.050 0.115 0.000 0.880 550 N CB 1.344 39.895 38.487 0.106 0.000 1.179 550 N HN 0.541 nan 8.380 nan 0.000 0.513 551 E N 0.672 120.981 120.200 0.182 0.000 2.357 551 E HA 0.278 5.136 4.350 0.845 0.000 0.202 551 E C 0.989 177.656 176.600 0.111 0.000 0.855 551 E CA 0.235 56.716 56.400 0.135 0.000 1.048 551 E CB 0.801 30.538 29.700 0.062 0.000 1.037 551 E HN 0.381 nan 8.360 nan 0.000 0.499 552 I N -1.897 118.745 120.570 0.120 0.000 3.076 552 I HA 0.574 5.251 4.170 0.845 0.000 0.313 552 I C -0.501 175.693 176.117 0.128 0.000 1.053 552 I CA -1.353 60.018 61.300 0.118 0.000 1.048 552 I CB 1.972 40.027 38.000 0.092 0.000 1.264 552 I HN -0.025 nan 8.210 nan 0.000 0.498 553 M N 4.926 124.618 119.600 0.153 0.000 2.267 553 M HA 0.536 5.524 4.480 0.845 0.000 0.289 553 M C -1.333 175.038 176.300 0.119 0.000 1.043 553 M CA -0.791 54.589 55.300 0.134 0.000 0.928 553 M CB 2.153 34.836 32.600 0.139 0.000 1.613 553 M HN 0.762 nan 8.290 nan 0.000 0.450 554 I N 2.395 122.952 120.570 -0.021 0.000 2.612 554 I HA 0.903 5.580 4.170 0.845 0.000 0.295 554 I C -0.620 175.527 176.117 0.051 0.000 1.011 554 I CA -0.364 60.844 61.300 -0.154 0.000 1.326 554 I CB 1.735 39.437 38.000 -0.496 0.000 1.427 554 I HN 0.844 nan 8.210 nan 0.000 0.537 555 A N 5.716 128.607 122.820 0.118 0.000 2.893 555 A HA 0.531 5.358 4.320 0.845 0.000 0.298 555 A C -2.867 174.848 177.584 0.217 0.000 1.227 555 A CA -0.778 51.377 52.037 0.198 0.000 0.845 555 A CB -0.053 19.116 19.000 0.282 0.000 1.430 555 A HN 0.649 nan 8.150 nan 0.000 0.493 556 P HA 0.456 nan 4.420 nan 0.000 0.284 556 P C -0.066 177.416 177.300 0.303 0.000 1.258 556 P CA -0.194 63.054 63.100 0.247 0.000 0.824 556 P CB 1.609 33.459 31.700 0.251 0.000 1.038 557 V N 3.659 123.699 119.914 0.211 0.000 2.555 557 V HA 0.003 4.630 4.120 0.845 0.000 0.286 557 V C 0.554 176.800 176.094 0.254 0.000 1.044 557 V CA 0.497 62.856 62.300 0.098 0.000 1.026 557 V CB -0.725 31.146 31.823 0.080 0.000 0.981 557 V HN 0.684 nan 8.190 nan 0.000 0.480 558 Y N 1.491 121.966 120.300 0.291 0.000 2.779 558 Y HA 0.582 5.639 4.550 0.845 0.000 0.251 558 Y C 0.091 176.261 175.900 0.450 0.000 1.145 558 Y CA -0.867 57.485 58.100 0.420 0.000 1.201 558 Y CB 0.188 38.834 38.460 0.309 0.000 1.281 558 Y HN 0.441 nan 8.280 nan 0.000 0.563 559 E N 1.912 122.110 120.200 -0.004 0.000 2.171 559 E HA 0.200 5.058 4.350 0.845 0.000 0.271 559 E C -1.048 175.188 176.600 -0.606 0.000 0.916 559 E CA -0.787 55.490 56.400 -0.206 0.000 0.774 559 E CB 2.335 31.902 29.700 -0.223 0.000 1.128 559 E HN 0.499 nan 8.360 nan 0.000 0.403 560 Q N 2.238 121.258 119.800 -1.300 0.000 2.349 560 Q HA -0.045 4.802 4.340 0.845 0.000 0.287 560 Q C -0.034 175.650 176.000 -0.526 0.000 1.044 560 Q CA 0.263 55.207 55.803 -1.431 0.000 0.918 560 Q CB 0.270 28.165 28.738 -1.404 0.000 1.242 560 Q HN 0.391 nan 8.270 nan 0.000 0.405 561 N N -0.062 118.470 118.700 -0.281 0.000 2.681 561 N HA -0.252 4.995 4.740 0.845 0.000 0.250 561 N C -1.137 174.326 175.510 -0.079 0.000 1.133 561 N CA 1.108 54.096 53.050 -0.104 0.000 0.732 561 N CB -1.621 36.817 38.487 -0.083 0.000 1.107 561 N HN 0.594 nan 8.380 nan 0.000 0.559 562 A N 0.262 123.025 122.820 -0.095 0.000 2.354 562 A HA 0.483 5.310 4.320 0.845 0.000 0.269 562 A C 1.091 178.686 177.584 0.019 0.000 1.109 562 A CA -0.246 51.767 52.037 -0.039 0.000 0.800 562 A CB 0.581 19.537 19.000 -0.074 0.000 1.045 562 A HN 0.302 nan 8.150 nan 0.000 0.489 563 R N 1.054 121.588 120.500 0.057 0.000 2.613 563 R HA 0.401 5.248 4.340 0.845 0.000 0.361 563 R C 0.466 176.827 176.300 0.102 0.000 1.072 563 R CA 0.468 56.614 56.100 0.076 0.000 1.089 563 R CB 0.742 31.086 30.300 0.073 0.000 1.343 563 R HN 1.061 nan 8.270 nan 0.000 0.571 564 G N 0.955 109.782 108.800 0.046 0.000 2.327 564 G HA2 0.197 4.664 3.960 0.845 0.000 0.291 564 G HA3 0.197 4.664 3.960 0.845 0.000 0.291 564 G C -1.771 172.894 174.900 -0.392 0.000 1.290 564 G CA -1.086 43.915 45.100 -0.164 0.000 0.857 564 G HN 0.204 nan 8.290 nan 0.000 0.520 565 R N -1.698 118.289 120.500 -0.856 0.000 2.716 565 R HA 0.641 5.488 4.340 0.845 0.000 0.271 565 R C -1.559 174.291 176.300 -0.750 0.000 1.028 565 R CA -1.139 54.581 56.100 -0.633 0.000 0.883 565 R CB 0.695 30.853 30.300 -0.237 0.000 1.250 565 R HN 0.535 nan 8.270 nan 0.000 0.465 566 Y N 0.473 120.681 120.300 -0.153 0.000 2.326 566 Y HA 0.473 5.530 4.550 0.845 0.000 0.333 566 Y C 0.732 176.627 175.900 -0.009 0.000 1.240 566 Y CA -0.082 58.011 58.100 -0.011 0.000 1.365 566 Y CB 1.491 40.018 38.460 0.113 0.000 1.289 566 Y HN 0.500 nan 8.280 nan 0.000 0.548 567 V N -0.501 119.510 119.914 0.162 0.000 3.159 567 V HA 0.539 5.167 4.120 0.845 0.000 0.308 567 V C -1.906 174.250 176.094 0.103 0.000 1.190 567 V CA -1.361 60.979 62.300 0.066 0.000 1.037 567 V CB 2.113 33.863 31.823 -0.123 0.000 1.060 567 V HN 0.605 nan 8.190 nan 0.000 0.437 568 Y N 2.269 122.511 120.300 -0.095 0.000 2.331 568 Y HA 0.750 5.807 4.550 0.845 0.000 0.334 568 Y C -0.995 174.779 175.900 -0.210 0.000 0.960 568 Y CA -1.232 56.806 58.100 -0.102 0.000 1.130 568 Y CB 1.691 40.105 38.460 -0.077 0.000 1.164 568 Y HN 0.732 nan 8.280 nan 0.000 0.458 569 L N 9.565 130.319 121.223 -0.782 0.000 2.264 569 L HA 0.348 5.195 4.340 0.845 0.000 0.287 569 L C -1.926 174.335 176.870 -1.014 0.000 1.039 569 L CA -1.837 52.551 54.840 -0.753 0.000 0.829 569 L CB 1.438 43.193 42.059 -0.507 0.000 1.211 569 L HN 0.555 nan 8.230 nan 0.000 0.427 570 P HA -0.122 nan 4.420 nan 0.000 0.222 570 P C -0.082 176.882 177.300 -0.559 0.000 1.147 570 P CA 1.093 63.673 63.100 -0.867 0.000 0.790 570 P CB 0.376 31.255 31.700 -1.368 0.000 0.780 571 E N -2.378 117.576 120.200 -0.411 0.000 2.460 571 E HA 0.309 5.166 4.350 0.845 0.000 0.277 571 E C -0.853 175.673 176.600 -0.124 0.000 1.010 571 E CA -1.107 55.196 56.400 -0.162 0.000 0.838 571 E CB 0.628 30.331 29.700 0.006 0.000 1.448 571 E HN -0.205 nan 8.360 nan 0.000 0.462 572 E N 0.733 120.908 120.200 -0.041 0.000 2.415 572 E HA 0.136 4.993 4.350 0.845 0.000 0.262 572 E C -0.797 175.858 176.600 0.092 0.000 1.038 572 E CA 0.451 56.862 56.400 0.019 0.000 0.921 572 E CB 0.560 30.290 29.700 0.050 0.000 0.950 572 E HN 0.340 nan 8.360 nan 0.000 0.438 573 M N 2.770 122.471 119.600 0.169 0.000 2.465 573 M HA 0.282 5.269 4.480 0.845 0.000 0.284 573 M C -0.897 175.579 176.300 0.293 0.000 1.212 573 M CA -0.969 54.499 55.300 0.281 0.000 0.910 573 M CB 2.170 34.873 32.600 0.171 0.000 1.725 573 M HN 0.200 nan 8.290 nan 0.000 0.477 574 K N 1.687 122.234 120.400 0.245 0.000 2.297 574 K HA 0.325 5.152 4.320 0.845 0.000 0.286 574 K C -1.115 175.616 176.600 0.218 0.000 1.053 574 K CA -0.136 56.187 56.287 0.060 0.000 0.940 574 K CB 0.793 33.184 32.500 -0.182 0.000 1.019 574 K HN 0.474 nan 8.250 nan 0.000 0.475 575 F N 5.517 125.452 119.950 -0.024 0.000 2.368 575 F HA 0.217 5.250 4.527 0.845 0.000 0.362 575 F C -0.401 175.267 175.800 -0.220 0.000 1.137 575 F CA -1.507 56.387 58.000 -0.177 0.000 1.161 575 F CB 0.010 38.947 39.000 -0.106 0.000 1.265 575 F HN 0.259 nan 8.300 nan 0.000 0.530 576 I N 6.303 126.662 120.570 -0.352 0.000 2.353 576 I HA 0.332 5.009 4.170 0.845 0.000 0.293 576 I C -0.266 175.557 176.117 -0.491 0.000 0.992 576 I CA -0.816 60.268 61.300 -0.361 0.000 1.268 576 I CB 1.420 39.339 38.000 -0.135 0.000 1.387 576 I HN 0.416 nan 8.210 nan 0.000 0.478 577 K N 5.444 125.572 120.400 -0.453 0.000 2.378 577 K HA 0.471 5.298 4.320 0.845 0.000 0.252 577 K C -1.386 175.116 176.600 -0.164 0.000 0.931 577 K CA -0.635 55.470 56.287 -0.304 0.000 0.794 577 K CB 1.899 34.151 32.500 -0.412 0.000 1.181 577 K HN 0.176 nan 8.250 nan 0.000 0.425 578 F N 3.595 123.462 119.950 -0.139 0.000 2.350 578 F HA 0.262 5.297 4.527 0.847 0.000 0.365 578 F C 0.357 176.110 175.800 -0.079 0.000 1.122 578 F CA -0.520 57.426 58.000 -0.090 0.000 1.139 578 F CB 0.631 39.598 39.000 -0.055 0.000 1.220 578 F HN 0.204 nan 8.300 nan 0.000 0.499 579 M N 6.066 125.647 119.600 -0.031 0.000 2.250 579 M HA 0.199 5.186 4.480 0.845 0.000 0.344 579 M C -1.246 175.057 176.300 0.005 0.000 1.150 579 M CA -2.625 52.657 55.300 -0.031 0.000 1.147 579 M CB 0.558 33.110 32.600 -0.080 0.000 1.498 579 M HN 0.214 nan 8.290 nan 0.000 0.461 580 P HA -0.184 nan 4.420 nan 0.000 0.215 580 P C 0.659 177.956 177.300 -0.006 0.000 1.153 580 P CA 1.550 64.652 63.100 0.003 0.000 0.853 580 P CB -0.238 31.456 31.700 -0.009 0.000 0.788 581 D N -0.771 119.617 120.400 -0.019 0.000 2.311 581 D HA -0.118 5.029 4.640 0.845 0.000 0.212 581 D C 1.576 177.861 176.300 -0.025 0.000 0.972 581 D CA 1.657 55.642 54.000 -0.024 0.000 0.887 581 D CB -0.928 39.852 40.800 -0.032 0.000 0.915 581 D HN 0.369 nan 8.370 nan 0.000 0.497 582 G N -0.015 108.770 108.800 -0.026 0.000 2.211 582 G HA2 -0.237 4.230 3.960 0.845 0.000 0.201 582 G HA3 -0.237 4.230 3.960 0.845 0.000 0.201 582 G C 0.411 175.269 174.900 -0.070 0.000 0.997 582 G CA 0.356 45.443 45.100 -0.021 0.000 0.652 582 G HN 0.774 nan 8.290 nan 0.000 0.500 583 S N -0.264 115.378 115.700 -0.096 0.000 2.634 583 S HA 0.739 5.716 4.470 0.845 0.000 0.261 583 S C 0.019 174.468 174.600 -0.251 0.000 1.271 583 S CA -0.221 57.890 58.200 -0.148 0.000 0.985 583 S CB 1.536 64.665 63.200 -0.117 0.000 0.968 583 S HN 0.714 nan 8.310 nan 0.000 0.568 584 I N 1.833 122.222 120.570 -0.302 0.000 2.439 584 I HA 0.297 4.974 4.170 0.845 0.000 0.283 584 I C 0.329 176.265 176.117 -0.302 0.000 1.023 584 I CA -0.359 60.688 61.300 -0.423 0.000 1.100 584 I CB 1.807 39.470 38.000 -0.562 0.000 1.238 584 I HN 0.815 nan 8.210 nan 0.000 0.445 585 S N 4.602 120.130 115.700 -0.286 0.000 2.603 585 S HA 0.600 5.577 4.470 0.845 0.000 0.268 585 S C -0.336 174.098 174.600 -0.277 0.000 1.317 585 S CA -0.327 57.727 58.200 -0.244 0.000 1.012 585 S CB 1.499 64.564 63.200 -0.225 0.000 0.926 585 S HN 0.726 nan 8.310 nan 0.000 0.539 586 E N 0.424 120.499 120.200 -0.209 0.000 2.343 586 E HA 0.422 5.279 4.350 0.845 0.000 0.288 586 E C -1.603 174.937 176.600 -0.101 0.000 0.907 586 E CA -0.458 55.836 56.400 -0.176 0.000 0.792 586 E CB 1.359 30.956 29.700 -0.170 0.000 1.275 586 E HN 0.810 nan 8.360 nan 0.000 0.402 587 E N 3.721 123.894 120.200 -0.044 0.000 2.321 587 E HA 0.282 5.139 4.350 0.845 0.000 0.281 587 E C -1.486 175.151 176.600 0.061 0.000 0.910 587 E CA -0.849 55.571 56.400 0.033 0.000 0.770 587 E CB 2.064 31.833 29.700 0.115 0.000 1.225 587 E HN 0.373 nan 8.360 nan 0.000 0.417 588 V N 5.353 125.286 119.914 0.031 0.000 2.508 588 V HA 0.273 4.900 4.120 0.845 0.000 0.281 588 V C 0.038 176.163 176.094 0.051 0.000 1.041 588 V CA 0.065 62.395 62.300 0.050 0.000 1.016 588 V CB 0.619 32.476 31.823 0.058 0.000 0.984 588 V HN 0.527 nan 8.190 nan 0.000 0.478 589 L N 5.307 126.545 121.223 0.025 0.000 2.362 589 L HA 0.542 5.389 4.340 0.845 0.000 0.275 589 L C 0.278 177.136 176.870 -0.020 0.000 0.998 589 L CA -0.699 54.072 54.840 -0.115 0.000 0.820 589 L CB 2.010 43.794 42.059 -0.458 0.000 1.270 589 L HN 0.750 nan 8.230 nan 0.000 0.415 590 E N 2.493 122.750 120.200 0.096 0.000 2.371 590 E HA 0.164 5.021 4.350 0.845 0.000 0.257 590 E C -0.398 176.240 176.600 0.064 0.000 1.134 590 E CA -0.927 55.530 56.400 0.096 0.000 0.919 590 E CB 1.034 30.800 29.700 0.110 0.000 1.025 590 E HN 0.367 nan 8.360 nan 0.000 0.438 591 K N 0.761 121.147 120.400 -0.023 0.000 2.543 591 K HA 0.097 4.924 4.320 0.845 0.000 0.279 591 K C 0.050 176.600 176.600 -0.083 0.000 1.001 591 K CA 1.284 57.500 56.287 -0.118 0.000 1.088 591 K CB -0.421 32.025 32.500 -0.090 0.000 0.863 591 K HN 0.791 nan 8.250 nan 0.000 0.488 592 G N 1.198 109.873 108.800 -0.208 0.000 2.343 592 G HA2 -0.099 4.368 3.960 0.845 0.000 0.465 592 G HA3 -0.099 4.368 3.960 0.845 0.000 0.465 592 G C -1.098 173.797 174.900 -0.008 0.000 1.282 592 G CA -0.585 44.481 45.100 -0.058 0.000 0.996 592 G HN 0.527 nan 8.290 nan 0.000 0.521 593 V N 1.728 121.679 119.914 0.061 0.000 2.715 593 V HA 0.524 5.152 4.120 0.845 0.000 0.299 593 V C 0.295 176.314 176.094 -0.126 0.000 1.054 593 V CA 0.065 62.417 62.300 0.086 0.000 1.077 593 V CB 1.174 33.063 31.823 0.109 0.000 0.972 593 V HN 0.771 nan 8.190 nan 0.000 0.484 594 H N 2.382 121.501 119.070 0.081 0.000 3.026 594 H HA 0.275 5.338 4.556 0.845 0.000 0.352 594 H C -1.459 173.922 175.328 0.088 0.000 1.090 594 H CA -0.530 55.548 56.048 0.051 0.000 1.268 594 H CB 1.799 31.518 29.762 -0.072 0.000 1.816 594 H HN 0.667 nan 8.280 nan 0.000 0.518 595 Y N 2.781 123.126 120.300 0.075 0.000 2.301 595 Y HA 0.375 5.433 4.550 0.846 0.000 0.325 595 Y C -0.259 175.607 175.900 -0.057 0.000 1.203 595 Y CA -0.291 57.749 58.100 -0.100 0.000 1.255 595 Y CB 0.883 39.208 38.460 -0.224 0.000 1.232 595 Y HN 0.347 nan 8.280 nan 0.000 0.501 596 V N 1.838 121.411 119.914 -0.568 0.000 2.668 596 V HA 0.388 5.016 4.120 0.845 0.000 0.304 596 V C -1.342 174.625 176.094 -0.211 0.000 1.071 596 V CA -1.191 60.949 62.300 -0.267 0.000 0.894 596 V CB 1.711 33.260 31.823 -0.456 0.000 1.008 596 V HN 0.674 nan 8.190 nan 0.000 0.425 597 D N 3.645 124.104 120.400 0.098 0.000 2.343 597 D HA 0.442 5.589 4.640 0.845 0.000 0.255 597 D C -0.174 176.204 176.300 0.130 0.000 1.187 597 D CA 0.231 54.305 54.000 0.123 0.000 0.875 597 D CB 1.854 42.745 40.800 0.152 0.000 1.136 597 D HN 0.557 nan 8.370 nan 0.000 0.469 598 V N 1.766 121.727 119.914 0.077 0.000 2.357 598 V HA 0.515 5.142 4.120 0.845 0.000 0.281 598 V C 0.460 176.595 176.094 0.068 0.000 1.015 598 V CA -1.054 61.294 62.300 0.081 0.000 0.827 598 V CB 1.230 33.110 31.823 0.095 0.000 1.018 598 V HN 0.631 nan 8.190 nan 0.000 0.432 599 A N 3.605 126.459 122.820 0.057 0.000 2.287 599 A HA 0.663 5.490 4.320 0.845 0.000 0.273 599 A C 1.257 178.880 177.584 0.065 0.000 1.091 599 A CA -0.393 51.677 52.037 0.055 0.000 0.817 599 A CB 0.487 19.509 19.000 0.037 0.000 1.069 599 A HN 0.849 nan 8.150 nan 0.000 0.492 600 L N 0.237 121.502 121.223 0.070 0.000 2.021 600 L HA -0.250 4.597 4.340 0.845 0.000 0.215 600 L C 1.839 178.751 176.870 0.069 0.000 1.074 600 L CA 2.125 57.019 54.840 0.088 0.000 0.760 600 L CB -0.312 41.796 42.059 0.082 0.000 0.889 600 L HN 0.991 nan 8.230 nan 0.000 0.433 601 N N -1.137 117.583 118.700 0.033 0.000 2.276 601 N HA -0.003 5.244 4.740 0.845 0.000 0.212 601 N C -0.032 175.497 175.510 0.032 0.000 1.127 601 N CA -0.005 53.055 53.050 0.016 0.000 0.834 601 N CB -0.025 38.448 38.487 -0.022 0.000 1.014 601 N HN 0.289 nan 8.380 nan 0.000 0.491 602 E N -0.158 120.069 120.200 0.045 0.000 2.231 602 E HA 0.425 5.282 4.350 0.845 0.000 0.277 602 E C -1.078 175.567 176.600 0.075 0.000 0.999 602 E CA -0.733 55.695 56.400 0.046 0.000 0.827 602 E CB 1.696 31.410 29.700 0.024 0.000 1.101 602 E HN -0.049 nan 8.360 nan 0.000 0.393 603 V N 6.067 126.040 119.914 0.099 0.000 2.409 603 V HA 0.471 5.098 4.120 0.845 0.000 0.291 603 V C -2.299 173.890 176.094 0.157 0.000 1.020 603 V CA -1.599 60.776 62.300 0.125 0.000 0.848 603 V CB 1.326 33.175 31.823 0.044 0.000 0.990 603 V HN 0.652 nan 8.190 nan 0.000 0.430 604 P HA 0.869 nan 4.420 nan 0.000 0.292 604 P C -1.697 175.663 177.300 0.101 0.000 1.313 604 P CA -0.925 62.201 63.100 0.045 0.000 0.965 604 P CB 2.629 34.364 31.700 0.059 0.000 1.303 605 L N -2.704 118.482 121.223 -0.062 0.000 2.866 605 L HA 0.629 5.476 4.340 0.845 0.000 0.262 605 L C -1.629 175.142 176.870 -0.166 0.000 0.986 605 L CA -0.736 54.074 54.840 -0.049 0.000 0.925 605 L CB 0.617 42.749 42.059 0.122 0.000 1.484 605 L HN 0.080 nan 8.230 nan 0.000 0.414 606 F N 1.372 121.406 119.950 0.141 0.000 2.469 606 F HA 0.801 5.834 4.527 0.845 0.000 0.332 606 F C 0.021 175.878 175.800 0.094 0.000 1.103 606 F CA -0.528 57.556 58.000 0.140 0.000 0.979 606 F CB 1.875 40.932 39.000 0.095 0.000 1.137 606 F HN 0.344 nan 8.300 nan 0.000 0.463 607 I N 3.247 123.976 120.570 0.266 0.000 2.460 607 I HA 0.426 5.103 4.170 0.845 0.000 0.298 607 I C -0.014 176.297 176.117 0.323 0.000 0.989 607 I CA -0.896 60.529 61.300 0.210 0.000 1.173 607 I CB 1.437 39.510 38.000 0.121 0.000 1.338 607 I HN 0.494 nan 8.210 nan 0.000 0.456 608 R N 2.943 123.596 120.500 0.256 0.000 2.531 608 R HA 0.261 5.108 4.340 0.845 0.000 0.273 608 R C 0.069 176.414 176.300 0.075 0.000 1.070 608 R CA -0.610 55.608 56.100 0.197 0.000 1.112 608 R CB 0.862 31.243 30.300 0.135 0.000 1.049 608 R HN 0.553 nan 8.270 nan 0.000 0.508 609 S N 0.672 116.293 115.700 -0.131 0.000 2.810 609 S HA -0.038 4.939 4.470 0.845 0.000 0.329 609 S C 1.164 175.473 174.600 -0.486 0.000 1.231 609 S CA 1.313 59.197 58.200 -0.528 0.000 1.042 609 S CB -0.183 62.884 63.200 -0.221 0.000 0.756 609 S HN 0.856 nan 8.310 nan 0.000 0.504 610 G N 3.278 111.599 108.800 -0.798 0.000 2.296 610 G HA2 -0.268 4.199 3.960 0.845 0.000 0.282 610 G HA3 -0.268 4.199 3.960 0.845 0.000 0.282 610 G C -0.051 174.822 174.900 -0.045 0.000 1.014 610 G CA 0.946 45.871 45.100 -0.292 0.000 0.812 610 G HN 0.621 nan 8.290 nan 0.000 0.508 611 K N -0.885 119.547 120.400 0.053 0.000 2.295 611 K HA 0.846 5.674 4.320 0.845 0.000 0.239 611 K C 0.389 177.112 176.600 0.204 0.000 0.991 611 K CA -0.135 56.238 56.287 0.145 0.000 0.845 611 K CB 1.823 34.401 32.500 0.131 0.000 1.197 611 K HN 0.783 nan 8.250 nan 0.000 0.441 612 C N -0.021 119.356 119.300 0.129 0.000 3.241 612 C HA 0.903 5.870 4.460 0.845 0.000 0.312 612 C C -1.083 173.834 174.990 -0.121 0.000 1.350 612 C CA -1.160 57.885 59.018 0.045 0.000 1.415 612 C CB 0.011 27.794 27.740 0.071 0.000 1.770 612 C HN 0.848 nan 8.230 nan 0.000 0.466 613 I N -1.721 118.705 120.570 -0.241 0.000 2.686 613 I HA 0.795 5.472 4.170 0.845 0.000 0.295 613 I C -2.863 173.089 176.117 -0.276 0.000 1.114 613 I CA -2.403 58.586 61.300 -0.518 0.000 1.038 613 I CB 2.239 39.691 38.000 -0.914 0.000 1.238 613 I HN 0.526 nan 8.210 nan 0.000 0.420 614 P HA 0.143 nan 4.420 nan 0.000 0.271 614 P C -0.775 176.539 177.300 0.024 0.000 1.220 614 P CA -0.088 63.002 63.100 -0.018 0.000 0.768 614 P CB 1.340 33.097 31.700 0.095 0.000 0.848 615 V N 3.455 123.398 119.914 0.048 0.000 2.380 615 V HA 0.459 5.086 4.120 0.845 0.000 0.286 615 V C 0.636 176.781 176.094 0.086 0.000 1.015 615 V CA -0.818 61.539 62.300 0.095 0.000 0.834 615 V CB 1.176 33.055 31.823 0.093 0.000 1.009 615 V HN 0.699 nan 8.190 nan 0.000 0.428 616 A N 4.193 127.074 122.820 0.102 0.000 2.296 616 A HA 0.645 5.472 4.320 0.845 0.000 0.264 616 A C 0.405 178.044 177.584 0.091 0.000 1.097 616 A CA -0.335 51.754 52.037 0.086 0.000 0.811 616 A CB 0.346 19.397 19.000 0.086 0.000 1.072 616 A HN 0.698 nan 8.150 nan 0.000 0.495 617 E N -0.168 120.075 120.200 0.072 0.000 2.391 617 E HA 0.398 5.255 4.350 0.845 0.000 0.255 617 E C 0.526 177.179 176.600 0.089 0.000 1.187 617 E CA 0.322 56.762 56.400 0.067 0.000 0.941 617 E CB 0.750 30.476 29.700 0.043 0.000 1.010 617 E HN 0.738 nan 8.360 nan 0.000 0.458 618 A N 0.609 123.475 122.820 0.077 0.000 2.511 618 A HA 0.446 5.273 4.320 0.845 0.000 0.242 618 A C -0.018 177.610 177.584 0.073 0.000 1.069 618 A CA 0.659 52.742 52.037 0.077 0.000 0.763 618 A CB 0.097 19.125 19.000 0.046 0.000 1.001 618 A HN 0.530 nan 8.150 nan 0.000 0.498 619 A N 1.188 124.060 122.820 0.087 0.000 2.524 619 A HA 0.774 5.601 4.320 0.845 0.000 0.286 619 A C 0.329 177.898 177.584 -0.026 0.000 1.203 619 A CA -0.344 51.746 52.037 0.089 0.000 0.736 619 A CB 0.891 20.014 19.000 0.204 0.000 1.322 619 A HN 0.760 nan 8.150 nan 0.000 0.424 620 E N -1.414 118.783 120.200 -0.005 0.000 2.474 620 E HA 0.167 5.024 4.350 0.845 0.000 0.215 620 E C -0.331 176.237 176.600 -0.054 0.000 0.867 620 E CA 0.664 57.015 56.400 -0.082 0.000 1.135 620 E CB 0.877 30.585 29.700 0.014 0.000 1.147 620 E HN 0.793 nan 8.360 nan 0.000 0.534 621 C N -1.913 117.459 119.300 0.121 0.000 2.994 621 C HA 0.448 5.415 4.460 0.845 0.000 0.305 621 C C 1.769 176.952 174.990 0.322 0.000 1.251 621 C CA -0.943 58.223 59.018 0.246 0.000 1.478 621 C CB 0.814 28.607 27.740 0.089 0.000 1.922 621 C HN -0.045 nan 8.230 nan 0.000 0.472 622 V N 1.529 121.602 119.914 0.264 0.000 2.490 622 V HA -0.193 4.434 4.120 0.845 0.000 0.250 622 V C 2.776 178.886 176.094 0.027 0.000 1.061 622 V CA 2.369 64.707 62.300 0.062 0.000 1.064 622 V CB -0.729 31.051 31.823 -0.072 0.000 0.670 622 V HN 1.042 nan 8.190 nan 0.000 0.461 623 K N -0.010 120.406 120.400 0.027 0.000 2.063 623 K HA -0.200 4.627 4.320 0.845 0.000 0.208 623 K C 0.703 177.310 176.600 0.011 0.000 1.048 623 K CA 1.702 57.988 56.287 -0.001 0.000 0.928 623 K CB -0.163 32.327 32.500 -0.016 0.000 0.713 623 K HN 0.379 nan 8.250 nan 0.000 0.442 624 D N 0.906 121.329 120.400 0.037 0.000 3.134 624 D HA 0.156 5.303 4.640 0.845 0.000 0.248 624 D C -0.661 175.671 176.300 0.054 0.000 1.273 624 D CA 0.254 54.276 54.000 0.038 0.000 0.904 624 D CB -0.152 40.671 40.800 0.038 0.000 1.089 624 D HN 0.171 nan 8.370 nan 0.000 0.478 625 I N 0.615 121.212 120.570 0.044 0.000 2.355 625 I HA 0.065 4.742 4.170 0.845 0.000 0.288 625 I C 0.328 176.464 176.117 0.032 0.000 0.999 625 I CA -0.753 60.578 61.300 0.052 0.000 1.163 625 I CB 1.756 39.786 38.000 0.049 0.000 1.316 625 I HN -0.243 nan 8.210 nan 0.000 0.454 626 D N 5.266 125.688 120.400 0.037 0.000 2.398 626 D HA 0.001 5.148 4.640 0.845 0.000 0.250 626 D C 1.315 177.634 176.300 0.032 0.000 1.287 626 D CA 0.174 54.191 54.000 0.028 0.000 0.992 626 D CB 0.824 41.641 40.800 0.027 0.000 1.071 626 D HN 0.656 nan 8.370 nan 0.000 0.514 627 T N -0.069 114.500 114.554 0.026 0.000 3.057 627 T HA -0.073 4.784 4.350 0.845 0.000 0.254 627 T C 1.465 176.184 174.700 0.031 0.000 1.094 627 T CA 0.370 62.489 62.100 0.032 0.000 1.088 627 T CB 0.016 68.899 68.868 0.025 0.000 0.934 627 T HN 0.446 nan 8.240 nan 0.000 0.497 628 E N 1.426 121.639 120.200 0.021 0.000 2.208 628 E HA -0.045 4.813 4.350 0.845 0.000 0.193 628 E C 0.744 177.358 176.600 0.024 0.000 0.988 628 E CA 0.742 57.153 56.400 0.018 0.000 0.828 628 E CB -0.060 29.646 29.700 0.010 0.000 0.763 628 E HN 0.314 nan 8.360 nan 0.000 0.478 629 N N 0.451 119.166 118.700 0.025 0.000 2.727 629 N HA 0.275 5.522 4.740 0.845 0.000 0.252 629 N C -1.657 173.871 175.510 0.029 0.000 1.283 629 N CA -0.215 52.850 53.050 0.025 0.000 0.782 629 N CB 0.864 39.362 38.487 0.018 0.000 1.199 629 N HN 0.090 nan 8.380 nan 0.000 0.520 630 M N -0.002 119.621 119.600 0.038 0.000 2.478 630 M HA 0.384 5.371 4.480 0.845 0.000 0.327 630 M C 0.572 176.892 176.300 0.033 0.000 1.187 630 M CA -0.613 54.712 55.300 0.042 0.000 1.022 630 M CB 2.036 34.671 32.600 0.059 0.000 1.629 630 M HN 0.134 nan 8.290 nan 0.000 0.461 631 Q N 1.455 121.268 119.800 0.023 0.000 2.368 631 Q HA 0.484 5.331 4.340 0.845 0.000 0.237 631 Q C -1.548 174.455 176.000 0.006 0.000 0.987 631 Q CA -0.172 55.635 55.803 0.007 0.000 0.896 631 Q CB 0.910 29.640 28.738 -0.013 0.000 1.241 631 Q HN 0.614 nan 8.270 nan 0.000 0.485 632 L N 4.481 125.702 121.223 -0.003 0.000 2.316 632 L HA 0.399 5.246 4.340 0.845 0.000 0.280 632 L C -0.589 176.260 176.870 -0.036 0.000 1.006 632 L CA -0.747 54.087 54.840 -0.009 0.000 0.836 632 L CB 1.142 43.213 42.059 0.020 0.000 1.221 632 L HN 0.528 nan 8.230 nan 0.000 0.418 633 I N 1.915 122.448 120.570 -0.062 0.000 2.577 633 I HA 0.778 5.455 4.170 0.845 0.000 0.300 633 I C 0.907 176.978 176.117 -0.076 0.000 0.990 633 I CA -0.101 61.147 61.300 -0.087 0.000 1.283 633 I CB 0.969 38.903 38.000 -0.111 0.000 1.411 633 I HN 0.774 nan 8.210 nan 0.000 0.515 634 G N 4.357 113.097 108.800 -0.100 0.000 2.225 634 G HA2 -0.054 4.413 3.960 0.845 0.000 0.203 634 G HA3 -0.054 4.413 3.960 0.845 0.000 0.203 634 G C -1.783 173.038 174.900 -0.132 0.000 1.335 634 G CA -0.784 44.273 45.100 -0.072 0.000 1.183 634 G HN 0.400 nan 8.290 nan 0.000 0.488 635 Y N 1.946 122.252 120.300 0.009 0.000 2.341 635 Y HA 0.527 5.584 4.550 0.845 0.000 0.337 635 Y C 0.804 176.715 175.900 0.018 0.000 1.014 635 Y CA -0.635 57.475 58.100 0.017 0.000 1.111 635 Y CB 1.487 39.963 38.460 0.027 0.000 1.194 635 Y HN 0.318 nan 8.280 nan 0.000 0.462 636 E N 1.752 122.039 120.200 0.145 0.000 2.465 636 E HA 0.083 4.940 4.350 0.845 0.000 0.260 636 E C 0.942 177.604 176.600 0.103 0.000 0.980 636 E CA 1.254 57.711 56.400 0.095 0.000 0.927 636 E CB 0.662 30.401 29.700 0.065 0.000 0.934 636 E HN 1.017 nan 8.360 nan 0.000 0.459 637 G N 2.659 111.506 108.800 0.078 0.000 2.176 637 G HA2 -0.302 4.165 3.960 0.845 0.000 0.253 637 G HA3 -0.302 4.165 3.960 0.845 0.000 0.253 637 G C 0.418 175.361 174.900 0.071 0.000 0.979 637 G CA 0.546 45.686 45.100 0.066 0.000 0.641 637 G HN 0.679 nan 8.290 nan 0.000 0.530 638 S N -0.925 114.831 115.700 0.093 0.000 2.713 638 S HA 0.837 5.814 4.470 0.845 0.000 0.283 638 S C -0.067 174.596 174.600 0.105 0.000 1.161 638 S CA 0.408 58.666 58.200 0.097 0.000 0.999 638 S CB 2.336 65.610 63.200 0.124 0.000 1.039 638 S HN 0.839 nan 8.310 nan 0.000 0.548 639 S N 0.867 116.637 115.700 0.116 0.000 2.571 639 S HA 0.496 5.473 4.470 0.845 0.000 0.284 639 S C -1.962 172.753 174.600 0.192 0.000 1.128 639 S CA -0.521 57.756 58.200 0.129 0.000 0.970 639 S CB 0.985 64.234 63.200 0.082 0.000 1.039 639 S HN 0.683 nan 8.310 nan 0.000 0.485 640 Y N 2.357 122.705 120.300 0.080 0.000 2.341 640 Y HA 0.484 5.541 4.550 0.844 0.000 0.338 640 Y C -0.022 175.946 175.900 0.113 0.000 0.965 640 Y CA -0.437 57.726 58.100 0.105 0.000 1.108 640 Y CB 1.261 39.791 38.460 0.117 0.000 1.180 640 Y HN 0.487 nan 8.280 nan 0.000 0.458 641 T N 8.119 122.373 114.554 -0.499 0.000 2.737 641 T HA 0.291 5.148 4.350 0.845 0.000 0.296 641 T C -0.918 173.384 174.700 -0.664 0.000 0.922 641 T CA -0.197 61.686 62.100 -0.362 0.000 1.079 641 T CB -0.179 68.598 68.868 -0.152 0.000 0.892 641 T HN 0.571 nan 8.240 nan 0.000 0.514 642 L N 5.957 127.028 121.223 -0.253 0.000 2.272 642 L HA 0.532 5.379 4.340 0.845 0.000 0.289 642 L C -0.823 176.033 176.870 -0.023 0.000 1.032 642 L CA -0.832 53.971 54.840 -0.061 0.000 0.810 642 L CB 0.634 42.804 42.059 0.186 0.000 1.205 642 L HN 0.621 nan 8.230 nan 0.000 0.422 643 Y N 5.189 125.387 120.300 -0.171 0.000 2.316 643 Y HA 0.491 5.547 4.550 0.843 0.000 0.331 643 Y C -0.280 175.496 175.900 -0.206 0.000 1.083 643 Y CA -0.080 57.800 58.100 -0.367 0.000 1.206 643 Y CB 0.743 38.917 38.460 -0.476 0.000 1.195 643 Y HN 0.750 nan 8.280 nan 0.000 0.497 644 E N 4.648 124.363 120.200 -0.807 0.000 2.366 644 E HA 0.418 5.275 4.350 0.845 0.000 0.278 644 E C -1.884 174.260 176.600 -0.760 0.000 0.923 644 E CA -0.979 55.087 56.400 -0.556 0.000 0.761 644 E CB 2.356 31.961 29.700 -0.159 0.000 1.231 644 E HN 0.609 nan 8.360 nan 0.000 0.443 645 D N 1.379 121.566 120.400 -0.355 0.000 2.837 645 D HA 0.091 5.238 4.640 0.845 0.000 0.294 645 D C 0.332 176.608 176.300 -0.041 0.000 1.158 645 D CA -0.275 53.611 54.000 -0.190 0.000 1.073 645 D CB 0.201 40.966 40.800 -0.058 0.000 1.419 645 D HN 0.510 nan 8.370 nan 0.000 0.584 646 D N -1.607 118.783 120.400 -0.016 0.000 2.312 646 D HA 0.098 5.246 4.640 0.845 0.000 0.211 646 D C 1.615 177.890 176.300 -0.041 0.000 0.964 646 D CA 1.585 55.573 54.000 -0.020 0.000 0.877 646 D CB -0.321 40.486 40.800 0.012 0.000 0.924 646 D HN 0.855 nan 8.370 nan 0.000 0.515 647 G N 0.016 108.819 108.800 0.006 0.000 2.205 647 G HA2 -0.308 4.159 3.960 0.845 0.000 0.261 647 G HA3 -0.308 4.159 3.960 0.845 0.000 0.261 647 G C 0.996 175.825 174.900 -0.117 0.000 0.980 647 G CA 0.538 45.623 45.100 -0.025 0.000 0.632 647 G HN 0.468 nan 8.290 nan 0.000 0.533 648 I N -0.704 119.735 120.570 -0.218 0.000 3.883 648 I HA 0.307 4.984 4.170 0.845 0.000 0.305 648 I C 1.343 177.149 176.117 -0.518 0.000 1.247 648 I CA 0.053 61.092 61.300 -0.436 0.000 1.350 648 I CB 0.148 37.755 38.000 -0.655 0.000 1.194 648 I HN 0.255 nan 8.210 nan 0.000 0.441 649 H N 0.070 119.075 119.070 -0.108 0.000 2.915 649 H HA 0.413 5.472 4.556 0.838 0.000 0.298 649 H C -0.138 175.017 175.328 -0.289 0.000 1.516 649 H CA -0.834 55.120 56.048 -0.156 0.000 1.480 649 H CB 0.975 30.657 29.762 -0.134 0.000 1.847 649 H HN -0.198 nan 8.280 nan 0.000 0.806 650 K N 0.825 121.086 120.400 -0.232 0.000 2.832 650 K HA 0.055 4.882 4.320 0.845 0.000 0.211 650 K C -0.658 175.510 176.600 -0.721 0.000 1.112 650 K CA 0.011 55.844 56.287 -0.756 0.000 1.108 650 K CB 0.131 32.398 32.500 -0.388 0.000 0.899 650 K HN 0.467 nan 8.250 nan 0.000 0.464 651 D N 0.097 120.237 120.400 -0.433 0.000 2.713 651 D HA 0.003 5.150 4.640 0.845 0.000 0.229 651 D C 0.422 176.672 176.300 -0.084 0.000 1.136 651 D CA -0.129 53.755 54.000 -0.194 0.000 1.010 651 D CB 0.175 40.923 40.800 -0.086 0.000 1.084 651 D HN 0.076 nan 8.370 nan 0.000 0.495 652 Y N 0.327 120.684 120.300 0.096 0.000 2.201 652 Y HA 0.038 5.084 4.550 0.826 0.000 0.292 652 Y C 1.611 177.613 175.900 0.170 0.000 1.119 652 Y CA 0.282 58.465 58.100 0.138 0.000 1.127 652 Y CB -0.331 38.169 38.460 0.067 0.000 1.019 652 Y HN 0.249 nan 8.280 nan 0.000 0.514 653 D N 0.766 121.332 120.400 0.276 0.000 2.370 653 D HA -0.038 5.109 4.640 0.845 0.000 0.256 653 D C 0.071 176.476 176.300 0.175 0.000 1.197 653 D CA 0.583 54.706 54.000 0.203 0.000 0.922 653 D CB -0.229 40.648 40.800 0.128 0.000 0.911 653 D HN 0.106 nan 8.370 nan 0.000 0.517 654 K N 0.633 121.156 120.400 0.204 0.000 2.183 654 K HA 0.116 4.943 4.320 0.845 0.000 0.274 654 K C 1.209 177.950 176.600 0.234 0.000 1.009 654 K CA -0.364 56.016 56.287 0.156 0.000 0.888 654 K CB 1.765 34.317 32.500 0.088 0.000 1.078 654 K HN -0.046 nan 8.250 nan 0.000 0.459 655 K N 1.314 121.811 120.400 0.161 0.000 2.366 655 K HA -0.001 4.826 4.320 0.845 0.000 0.198 655 K C 1.056 177.761 176.600 0.176 0.000 1.044 655 K CA 0.970 57.363 56.287 0.176 0.000 0.973 655 K CB 0.246 32.781 32.500 0.058 0.000 0.767 655 K HN 0.373 nan 8.250 nan 0.000 0.475 656 E N 1.051 121.311 120.200 0.099 0.000 2.338 656 E HA -0.068 4.789 4.350 0.845 0.000 0.197 656 E C 0.718 177.318 176.600 0.001 0.000 1.007 656 E CA 0.419 56.846 56.400 0.044 0.000 0.849 656 E CB -0.130 29.574 29.700 0.006 0.000 0.774 656 E HN 0.409 nan 8.360 nan 0.000 0.506 657 N N -0.140 118.556 118.700 -0.005 0.000 2.520 657 N HA -0.084 5.163 4.740 0.845 0.000 0.185 657 N C -0.324 174.860 175.510 -0.543 0.000 1.068 657 N CA 0.648 53.478 53.050 -0.368 0.000 0.911 657 N CB 0.055 38.244 38.487 -0.497 0.000 0.961 657 N HN 0.203 nan 8.380 nan 0.000 0.446 658 Y N -0.620 119.632 120.300 -0.081 0.000 2.468 658 Y HA 0.526 5.583 4.550 0.845 0.000 0.342 658 Y C 0.501 176.375 175.900 -0.043 0.000 1.021 658 Y CA -1.098 56.977 58.100 -0.042 0.000 1.079 658 Y CB 1.957 40.419 38.460 0.003 0.000 1.226 658 Y HN -0.324 nan 8.280 nan 0.000 0.460 659 R N 2.191 122.748 120.500 0.095 0.000 2.549 659 R HA 0.451 5.298 4.340 0.845 0.000 0.291 659 R C -2.245 174.083 176.300 0.046 0.000 1.164 659 R CA -0.473 55.659 56.100 0.053 0.000 0.973 659 R CB 1.467 31.782 30.300 0.024 0.000 1.210 659 R HN 0.630 nan 8.270 nan 0.000 0.422 660 V N 6.098 126.037 119.914 0.041 0.000 2.555 660 V HA 0.309 4.936 4.120 0.845 0.000 0.286 660 V C 0.416 176.546 176.094 0.060 0.000 1.044 660 V CA -0.141 62.181 62.300 0.037 0.000 1.026 660 V CB 1.131 32.971 31.823 0.027 0.000 0.981 660 V HN 0.553 nan 8.190 nan 0.000 0.480 661 L N 4.169 125.447 121.223 0.092 0.000 2.342 661 L HA 0.705 5.553 4.340 0.845 0.000 0.271 661 L C -0.099 176.835 176.870 0.108 0.000 1.008 661 L CA -0.342 54.563 54.840 0.108 0.000 0.818 661 L CB 2.320 44.470 42.059 0.151 0.000 1.296 661 L HN 0.567 nan 8.230 nan 0.000 0.427 662 T N 1.463 116.067 114.554 0.083 0.000 2.881 662 T HA 0.290 5.147 4.350 0.845 0.000 0.291 662 T C -0.324 174.415 174.700 0.065 0.000 0.990 662 T CA -0.693 61.452 62.100 0.074 0.000 0.976 662 T CB 1.939 70.841 68.868 0.056 0.000 0.970 662 T HN 0.416 nan 8.240 nan 0.000 0.438 663 K N 0.000 120.442 120.400 0.069 0.000 2.780 663 K HA 0.000 4.827 4.320 0.845 0.000 0.191 663 K CA 0.000 56.319 56.287 0.054 0.000 0.838 663 K CB 0.000 32.534 32.500 0.057 0.000 1.064 663 K HN 0.000 nan 8.250 nan 0.000 0.543