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 1ii2_1_A DATA FIRST_RESID 2 DATA SEQUENCE PPTIHRNLLS PELVQWALKI EKDSRLTARG ALAVMSYAKT GRSPLDKRIV DATA SEQUENCE DTDDVRENVD WGKVNMKLSE ESFARVRKIA KEFLDTREHL FVVDCFAGHD DATA SEQUENCE ERYRLKVRVF TTRPYHALFM RDMLIVPTPE ELATFGEPDY VIYNAGECKA DATA SEQUENCE DPSIPGLTST TCVALNFKTR EQVILGTEYA GEMKKGILTV MFELMPQMNH DATA SEQUENCE LCMHASANVG KQGDVTVFFG LSGTGKTTLS ADPHRNLIGD DEHVWTDRGV DATA SEQUENCE FNIEGGCYAK AIGLNPKTEK DIYDAVRFGA VAENCVLDKR TGEIDFYDES DATA SEQUENCE ICKNTRVAYP LSHIEGALSK AIAGHPKNVI FLTNDAFGVM PPVARLTSAQ DATA SEQUENCE AMFWFVMGYT ANVPGVEAGG TRTARPIFSS CFGGPFLVRH ATFYGEQLAE DATA SEQUENCE KMQKHNSRVW LLNTGYAGGR ADRGAKRMPL RVTRAIIDAI HDGTLDRTEY DATA SEQUENCE EEYPGWGLHI PKYVAKVPEH LLNPRKAWKD VRQFNETSKE LVAMFQESFS DATA SEQUENCE ARFAAKASQE MKSAVPRYVE FA 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.207 177.300 -0.155 0.000 1.155 2 P CA 0.000 63.029 63.100 -0.118 0.000 0.800 2 P CB 0.000 31.631 31.700 -0.114 0.000 0.726 3 P HA 0.301 nan 4.420 nan 0.000 0.281 3 P C -0.791 176.351 177.300 -0.262 0.000 1.249 3 P CA 0.343 63.298 63.100 -0.240 0.000 0.810 3 P CB 1.024 32.583 31.700 -0.235 0.000 1.008 4 T N 2.826 117.176 114.554 -0.340 0.000 2.761 4 T HA 0.317 4.669 4.350 0.003 0.000 0.296 4 T C 0.590 174.951 174.700 -0.565 0.000 0.934 4 T CA -0.081 61.797 62.100 -0.370 0.000 1.091 4 T CB -0.272 68.432 68.868 -0.273 0.000 0.896 4 T HN 0.215 nan 8.240 nan 0.000 0.515 5 I N 4.638 124.908 120.570 -0.500 0.000 2.315 5 I HA 0.232 4.404 4.170 0.003 0.000 0.291 5 I C 0.345 176.097 176.117 -0.608 0.000 1.006 5 I CA -0.736 60.282 61.300 -0.470 0.000 1.265 5 I CB 0.606 38.481 38.000 -0.209 0.000 1.387 5 I HN 0.502 nan 8.210 nan 0.000 0.475 6 H N 7.096 125.964 119.070 -0.338 0.000 2.581 6 H HA 0.438 4.996 4.556 0.003 0.000 0.308 6 H C -0.514 174.744 175.328 -0.118 0.000 1.040 6 H CA -0.602 55.301 56.048 -0.241 0.000 1.231 6 H CB 0.940 30.454 29.762 -0.414 0.000 1.396 6 H HN 0.430 nan 8.280 nan 0.000 0.467 7 R N 2.756 123.259 120.500 0.005 0.000 2.338 7 R HA 0.168 4.509 4.340 0.003 0.000 0.317 7 R C 0.097 176.383 176.300 -0.024 0.000 0.968 7 R CA -0.850 55.227 56.100 -0.037 0.000 0.849 7 R CB 1.022 31.276 30.300 -0.076 0.000 1.128 7 R HN 0.643 nan 8.270 nan 0.000 0.448 8 N N 2.287 120.950 118.700 -0.061 0.000 2.688 8 N HA -0.202 4.539 4.740 0.003 0.000 0.258 8 N C -0.378 175.131 175.510 -0.002 0.000 1.016 8 N CA 0.782 53.789 53.050 -0.071 0.000 0.747 8 N CB -0.886 37.523 38.487 -0.131 0.000 0.895 8 N HN 0.537 nan 8.380 nan 0.000 0.543 9 L N 0.172 121.428 121.223 0.055 0.000 2.464 9 L HA 0.260 4.602 4.340 0.003 0.000 0.264 9 L C 1.488 178.392 176.870 0.057 0.000 1.199 9 L CA -0.432 54.465 54.840 0.095 0.000 0.818 9 L CB 0.330 42.494 42.059 0.176 0.000 1.102 9 L HN 0.087 nan 8.230 nan 0.000 0.473 10 L N 0.528 121.794 121.223 0.070 0.000 2.453 10 L HA 0.113 4.455 4.340 0.003 0.000 0.261 10 L C 1.585 178.484 176.870 0.048 0.000 1.179 10 L CA -0.131 54.741 54.840 0.053 0.000 0.813 10 L CB 1.006 43.107 42.059 0.069 0.000 1.110 10 L HN 0.688 nan 8.230 nan 0.000 0.466 11 S N 1.476 117.188 115.700 0.020 0.000 2.359 11 S HA -0.098 4.374 4.470 0.003 0.000 0.224 11 S C -0.792 173.811 174.600 0.004 0.000 1.035 11 S CA 1.639 59.817 58.200 -0.036 0.000 1.018 11 S CB -0.931 62.201 63.200 -0.113 0.000 0.876 11 S HN 0.693 nan 8.310 nan 0.000 0.448 12 P HA -0.109 nan 4.420 nan 0.000 0.218 12 P C 0.910 178.295 177.300 0.142 0.000 1.149 12 P CA 1.130 64.389 63.100 0.267 0.000 0.817 12 P CB -0.042 31.842 31.700 0.307 0.000 0.785 13 E N -0.031 120.238 120.200 0.114 0.000 2.072 13 E HA -0.084 4.268 4.350 0.003 0.000 0.191 13 E C 2.312 179.019 176.600 0.178 0.000 0.985 13 E CA 0.796 57.271 56.400 0.125 0.000 0.801 13 E CB -0.523 29.284 29.700 0.178 0.000 0.750 13 E HN 0.254 nan 8.360 nan 0.000 0.452 14 L N 0.614 121.915 121.223 0.129 0.000 2.093 14 L HA -0.161 4.181 4.340 0.003 0.000 0.208 14 L C 2.469 179.358 176.870 0.032 0.000 1.085 14 L CA 0.628 55.505 54.840 0.062 0.000 0.755 14 L CB -0.338 41.702 42.059 -0.032 0.000 0.904 14 L HN 0.047 nan 8.230 nan 0.000 0.435 15 V N -0.423 119.506 119.914 0.025 0.000 2.343 15 V HA -0.306 3.816 4.120 0.003 0.000 0.247 15 V C 2.457 178.569 176.094 0.030 0.000 1.051 15 V CA 1.677 63.994 62.300 0.028 0.000 1.036 15 V CB -0.540 31.325 31.823 0.069 0.000 0.654 15 V HN 0.497 nan 8.190 nan 0.000 0.451 16 Q N -1.495 118.308 119.800 0.005 0.000 2.084 16 Q HA -0.256 4.085 4.340 0.003 0.000 0.202 16 Q C 2.145 178.048 176.000 -0.161 0.000 0.978 16 Q CA 2.295 58.034 55.803 -0.106 0.000 0.844 16 Q CB -0.260 28.358 28.738 -0.200 0.000 0.898 16 Q HN 0.742 nan 8.270 nan 0.000 0.426 17 W N 0.331 121.577 121.300 -0.091 0.000 2.358 17 W HA -0.156 4.506 4.660 0.003 0.000 0.303 17 W C 2.522 178.965 176.519 -0.126 0.000 1.208 17 W CA 0.939 58.206 57.345 -0.128 0.000 1.274 17 W CB -0.171 29.171 29.460 -0.198 0.000 1.138 17 W HN 0.174 nan 8.180 nan 0.000 0.515 18 A N 0.014 122.888 122.820 0.090 0.000 1.902 18 A HA -0.187 4.135 4.320 0.003 0.000 0.217 18 A C 1.912 179.524 177.584 0.047 0.000 1.181 18 A CA 1.479 53.542 52.037 0.043 0.000 0.623 18 A CB -1.022 17.989 19.000 0.019 0.000 0.818 18 A HN 0.299 nan 8.150 nan 0.000 0.443 19 L N -0.820 120.416 121.223 0.022 0.000 2.141 19 L HA -0.172 4.170 4.340 0.003 0.000 0.209 19 L C 2.630 179.506 176.870 0.011 0.000 1.094 19 L CA 1.845 56.689 54.840 0.008 0.000 0.763 19 L CB -0.367 41.686 42.059 -0.010 0.000 0.908 19 L HN 0.498 nan 8.230 nan 0.000 0.437 20 K N 1.153 121.555 120.400 0.003 0.000 2.031 20 K HA -0.129 4.193 4.320 0.003 0.000 0.205 20 K C 1.984 178.639 176.600 0.092 0.000 1.049 20 K CA 1.441 57.733 56.287 0.009 0.000 0.939 20 K CB 0.076 32.523 32.500 -0.088 0.000 0.717 20 K HN 0.437 nan 8.250 nan 0.000 0.438 21 I N -2.452 118.214 120.570 0.160 0.000 3.854 21 I HA 0.179 4.351 4.170 0.003 0.000 0.312 21 I C -0.366 175.837 176.117 0.143 0.000 1.273 21 I CA -0.155 61.255 61.300 0.184 0.000 1.298 21 I CB 0.253 38.418 38.000 0.275 0.000 1.071 21 I HN -0.093 nan 8.210 nan 0.000 0.428 22 E N 2.659 122.929 120.200 0.117 0.000 2.001 22 E HA 0.238 4.590 4.350 0.003 0.000 0.279 22 E C 1.226 177.881 176.600 0.092 0.000 1.045 22 E CA 0.053 56.519 56.400 0.111 0.000 0.833 22 E CB 1.495 31.250 29.700 0.091 0.000 1.077 22 E HN 0.361 nan 8.360 nan 0.000 0.397 23 K N 3.163 123.626 120.400 0.105 0.000 2.059 23 K HA -0.204 4.118 4.320 0.003 0.000 0.212 23 K C 1.081 177.727 176.600 0.077 0.000 1.050 23 K CA 1.936 58.275 56.287 0.088 0.000 0.927 23 K CB -0.371 32.184 32.500 0.092 0.000 0.714 23 K HN 0.381 nan 8.250 nan 0.000 0.447 24 D N 0.061 120.522 120.400 0.102 0.000 2.328 24 D HA 0.109 4.751 4.640 0.003 0.000 0.221 24 D C -0.311 175.978 176.300 -0.017 0.000 1.072 24 D CA 0.091 54.120 54.000 0.048 0.000 0.850 24 D CB 0.320 41.159 40.800 0.065 0.000 0.922 24 D HN 0.316 nan 8.370 nan 0.000 0.516 25 S N 0.791 116.483 115.700 -0.012 0.000 2.586 25 S HA 0.534 5.006 4.470 0.003 0.000 0.274 25 S C 0.596 175.177 174.600 -0.032 0.000 1.281 25 S CA -0.584 57.586 58.200 -0.051 0.000 1.035 25 S CB 1.629 64.803 63.200 -0.044 0.000 0.962 25 S HN 0.314 nan 8.310 nan 0.000 0.512 26 R N 0.912 121.386 120.500 -0.043 0.000 2.762 26 R HA 0.613 4.955 4.340 0.003 0.000 0.271 26 R C -1.859 174.430 176.300 -0.018 0.000 1.038 26 R CA -1.052 55.034 56.100 -0.024 0.000 0.906 26 R CB 0.563 30.847 30.300 -0.026 0.000 1.259 26 R HN 0.434 nan 8.270 nan 0.000 0.457 27 L N 1.197 122.420 121.223 -0.001 0.000 2.334 27 L HA 0.498 4.840 4.340 0.003 0.000 0.275 27 L C 0.496 177.368 176.870 0.004 0.000 1.036 27 L CA -0.970 53.882 54.840 0.019 0.000 0.807 27 L CB 2.003 44.090 42.059 0.047 0.000 1.231 27 L HN 0.907 nan 8.230 nan 0.000 0.438 28 T N -1.363 113.195 114.554 0.007 0.000 2.847 28 T HA 0.374 4.726 4.350 0.003 0.000 0.279 28 T C 1.222 175.928 174.700 0.009 0.000 0.984 28 T CA -0.096 61.997 62.100 -0.011 0.000 0.988 28 T CB 1.545 70.397 68.868 -0.027 0.000 1.040 28 T HN 0.642 nan 8.240 nan 0.000 0.528 29 A N 0.600 123.422 122.820 0.003 0.000 2.084 29 A HA -0.100 4.222 4.320 0.003 0.000 0.221 29 A C 2.314 179.912 177.584 0.024 0.000 1.161 29 A CA 1.275 53.321 52.037 0.015 0.000 0.653 29 A CB -0.687 18.328 19.000 0.024 0.000 0.802 29 A HN 0.846 nan 8.150 nan 0.000 0.457 30 R N -2.242 118.276 120.500 0.029 0.000 2.397 30 R HA 0.281 4.623 4.340 0.003 0.000 0.241 30 R C 1.099 177.448 176.300 0.081 0.000 0.914 30 R CA 0.522 56.645 56.100 0.038 0.000 1.071 30 R CB 0.277 30.588 30.300 0.018 0.000 1.116 30 R HN 0.664 nan 8.270 nan 0.000 0.524 31 G N 0.476 109.337 108.800 0.101 0.000 2.159 31 G HA2 -0.274 3.688 3.960 0.003 0.000 0.227 31 G HA3 -0.274 3.688 3.960 0.003 0.000 0.227 31 G C 0.179 175.216 174.900 0.228 0.000 0.986 31 G CA -0.048 45.181 45.100 0.214 0.000 0.651 31 G HN 0.451 nan 8.290 nan 0.000 0.523 32 A N -0.150 122.737 122.820 0.111 0.000 2.371 32 A HA 0.715 5.037 4.320 0.003 0.000 0.257 32 A C 0.330 177.935 177.584 0.035 0.000 1.089 32 A CA -0.003 52.072 52.037 0.063 0.000 0.794 32 A CB 0.818 19.849 19.000 0.052 0.000 1.029 32 A HN 1.451 nan 8.150 nan 0.000 0.488 33 L N 2.632 123.858 121.223 0.006 0.000 2.283 33 L HA 0.545 4.887 4.340 0.003 0.000 0.287 33 L C 0.465 177.303 176.870 -0.053 0.000 1.073 33 L CA 0.229 55.060 54.840 -0.014 0.000 0.822 33 L CB 0.312 42.361 42.059 -0.017 0.000 1.186 33 L HN 0.697 nan 8.230 nan 0.000 0.436 34 A N 6.096 128.872 122.820 -0.073 0.000 2.276 34 A HA 0.668 4.990 4.320 0.003 0.000 0.300 34 A C -0.352 177.123 177.584 -0.181 0.000 1.235 34 A CA 0.002 51.968 52.037 -0.118 0.000 0.867 34 A CB 0.502 19.441 19.000 -0.101 0.000 1.137 34 A HN 0.976 nan 8.150 nan 0.000 0.527 35 V N 0.452 120.194 119.914 -0.287 0.000 3.156 35 V HA 0.849 4.971 4.120 0.003 0.000 0.311 35 V C -0.433 175.418 176.094 -0.405 0.000 1.208 35 V CA -1.243 60.812 62.300 -0.409 0.000 1.063 35 V CB 1.838 33.187 31.823 -0.791 0.000 1.098 35 V HN 0.801 nan 8.190 nan 0.000 0.452 36 M N 1.462 120.781 119.600 -0.468 0.000 2.464 36 M HA 0.477 4.959 4.480 0.003 0.000 0.308 36 M C 0.388 176.383 176.300 -0.510 0.000 1.127 36 M CA -0.378 54.613 55.300 -0.514 0.000 0.913 36 M CB 2.530 34.685 32.600 -0.741 0.000 1.689 36 M HN 0.907 nan 8.290 nan 0.000 0.445 37 S N 0.480 116.037 115.700 -0.238 0.000 2.540 37 S HA 0.252 4.724 4.470 0.003 0.000 0.218 37 S C 0.336 175.037 174.600 0.167 0.000 0.977 37 S CA -0.241 58.014 58.200 0.092 0.000 0.918 37 S CB -0.310 63.056 63.200 0.276 0.000 0.806 37 S HN 0.844 nan 8.310 nan 0.000 0.496 38 Y N 0.781 121.131 120.300 0.084 0.000 2.896 38 Y HA -0.454 4.098 4.550 0.003 0.000 0.466 38 Y C 2.294 178.230 175.900 0.060 0.000 1.198 38 Y CA 0.330 58.468 58.100 0.063 0.000 2.512 38 Y CB -1.967 36.529 38.460 0.061 0.000 1.232 38 Y HN 0.259 nan 8.280 nan 0.000 0.632 39 A N 0.439 123.418 122.820 0.264 0.000 1.884 39 A HA -0.190 4.131 4.320 0.003 0.000 0.219 39 A C 0.847 178.492 177.584 0.102 0.000 1.197 39 A CA 2.193 54.316 52.037 0.142 0.000 0.637 39 A CB -0.494 18.571 19.000 0.109 0.000 0.827 39 A HN 0.322 nan 8.150 nan 0.000 0.450 40 K N 0.589 121.063 120.400 0.124 0.000 2.234 40 K HA 0.330 4.652 4.320 0.003 0.000 0.277 40 K C 0.056 176.713 176.600 0.095 0.000 1.038 40 K CA 0.524 56.860 56.287 0.083 0.000 0.888 40 K CB 1.092 33.654 32.500 0.103 0.000 1.091 40 K HN 0.434 nan 8.250 nan 0.000 0.467 41 T N -1.197 113.349 114.554 -0.015 0.000 3.228 41 T HA 0.382 4.734 4.350 0.003 0.000 0.278 41 T C 0.586 175.057 174.700 -0.381 0.000 1.014 41 T CA -0.477 61.613 62.100 -0.017 0.000 0.904 41 T CB 0.432 69.302 68.868 0.004 0.000 1.110 41 T HN 0.557 nan 8.240 nan 0.000 0.541 42 G N 0.409 108.763 108.800 -0.743 0.000 2.550 42 G HA2 0.559 4.521 3.960 0.003 0.000 0.293 42 G HA3 0.559 4.521 3.960 0.003 0.000 0.293 42 G C -1.361 173.053 174.900 -0.810 0.000 1.402 42 G CA -1.246 43.169 45.100 -1.141 0.000 0.784 42 G HN 0.266 nan 8.290 nan 0.000 0.482 43 R N -0.499 119.755 120.500 -0.411 0.000 2.679 43 R HA 0.476 4.818 4.340 0.003 0.000 0.269 43 R C -0.278 176.013 176.300 -0.016 0.000 1.076 43 R CA 0.013 56.106 56.100 -0.011 0.000 1.160 43 R CB 0.732 31.127 30.300 0.158 0.000 1.054 43 R HN 0.308 nan 8.270 nan 0.000 0.507 44 S N 2.989 118.716 115.700 0.044 0.000 2.252 44 S HA 0.146 4.618 4.470 0.003 0.000 0.180 44 S C -1.682 172.941 174.600 0.039 0.000 1.534 44 S CA -1.120 57.098 58.200 0.030 0.000 1.141 44 S CB 1.202 64.427 63.200 0.041 0.000 1.122 44 S HN 0.564 nan 8.310 nan 0.000 0.475 45 P HA -0.125 nan 4.420 nan 0.000 0.216 45 P C 1.274 178.584 177.300 0.016 0.000 1.150 45 P CA 0.920 64.025 63.100 0.008 0.000 0.837 45 P CB 0.100 31.779 31.700 -0.036 0.000 0.786 46 L N -0.157 121.074 121.223 0.013 0.000 2.265 46 L HA -0.093 4.249 4.340 0.003 0.000 0.215 46 L C 1.617 178.507 176.870 0.034 0.000 1.117 46 L CA 1.309 56.160 54.840 0.018 0.000 0.782 46 L CB -0.662 41.404 42.059 0.012 0.000 0.914 46 L HN -0.038 nan 8.230 nan 0.000 0.441 47 D N -0.513 119.912 120.400 0.042 0.000 2.363 47 D HA 0.023 4.665 4.640 0.003 0.000 0.214 47 D C 0.659 177.004 176.300 0.074 0.000 1.093 47 D CA 0.166 54.198 54.000 0.053 0.000 0.837 47 D CB 0.445 41.274 40.800 0.048 0.000 0.948 47 D HN 0.205 nan 8.370 nan 0.000 0.507 48 K N 1.535 121.982 120.400 0.078 0.000 2.298 48 K HA 0.176 4.498 4.320 0.003 0.000 0.280 48 K C -0.167 176.505 176.600 0.120 0.000 1.032 48 K CA -0.172 56.175 56.287 0.100 0.000 0.958 48 K CB 0.837 33.391 32.500 0.090 0.000 0.978 48 K HN -0.258 nan 8.250 nan 0.000 0.472 49 R N 3.853 124.441 120.500 0.148 0.000 2.698 49 R HA 0.469 4.811 4.340 0.003 0.000 0.275 49 R C -0.835 175.591 176.300 0.210 0.000 1.001 49 R CA -0.755 55.457 56.100 0.185 0.000 0.896 49 R CB 1.370 31.775 30.300 0.175 0.000 1.218 49 R HN 0.640 nan 8.270 nan 0.000 0.462 50 I N 1.967 122.715 120.570 0.297 0.000 2.418 50 I HA 0.245 4.417 4.170 0.003 0.000 0.287 50 I C 0.260 176.591 176.117 0.357 0.000 1.008 50 I CA -1.174 60.321 61.300 0.325 0.000 1.104 50 I CB 2.246 40.470 38.000 0.373 0.000 1.264 50 I HN 0.144 nan 8.210 nan 0.000 0.438 51 V N 4.361 124.381 119.914 0.176 0.000 2.673 51 V HA -0.095 4.026 4.120 0.003 0.000 0.303 51 V C 0.558 176.775 176.094 0.205 0.000 1.046 51 V CA 0.084 62.444 62.300 0.100 0.000 1.126 51 V CB 0.648 32.385 31.823 -0.144 0.000 0.934 51 V HN 0.726 nan 8.190 nan 0.000 0.487 52 D N 3.765 124.226 120.400 0.101 0.000 2.600 52 D HA 0.101 4.743 4.640 0.003 0.000 0.226 52 D C 0.526 176.873 176.300 0.078 0.000 1.119 52 D CA -0.160 53.872 54.000 0.053 0.000 1.051 52 D CB -0.193 40.525 40.800 -0.137 0.000 1.106 52 D HN 0.782 nan 8.370 nan 0.000 0.491 53 T N -1.059 113.579 114.554 0.140 0.000 2.875 53 T HA 0.214 4.566 4.350 0.003 0.000 0.284 53 T C 1.088 175.851 174.700 0.105 0.000 0.995 53 T CA -0.930 61.231 62.100 0.101 0.000 1.060 53 T CB 1.643 70.572 68.868 0.101 0.000 0.967 53 T HN -0.030 nan 8.240 nan 0.000 0.476 54 D N 1.730 122.171 120.400 0.069 0.000 2.158 54 D HA -0.179 4.463 4.640 0.003 0.000 0.197 54 D C 1.862 178.196 176.300 0.057 0.000 0.995 54 D CA 1.652 55.687 54.000 0.058 0.000 0.846 54 D CB -0.192 40.632 40.800 0.039 0.000 0.941 54 D HN 0.883 nan 8.370 nan 0.000 0.456 55 D N 0.988 121.422 120.400 0.057 0.000 2.265 55 D HA -0.139 4.503 4.640 0.003 0.000 0.208 55 D C 1.831 178.138 176.300 0.012 0.000 0.977 55 D CA 1.369 55.392 54.000 0.040 0.000 0.871 55 D CB -0.125 40.707 40.800 0.053 0.000 0.925 55 D HN 0.375 nan 8.370 nan 0.000 0.485 56 V N -3.846 116.087 119.914 0.031 0.000 3.497 56 V HA 0.289 4.411 4.120 0.003 0.000 0.272 56 V C 2.423 178.541 176.094 0.040 0.000 1.474 56 V CA 0.134 62.410 62.300 -0.041 0.000 1.025 56 V CB -0.270 31.459 31.823 -0.157 0.000 0.820 56 V HN -0.018 nan 8.190 nan 0.000 0.437 57 R N 1.706 122.315 120.500 0.181 0.000 2.140 57 R HA -0.267 4.075 4.340 0.003 0.000 0.250 57 R C 2.187 178.669 176.300 0.304 0.000 1.150 57 R CA 3.130 59.447 56.100 0.361 0.000 0.966 57 R CB -0.394 30.047 30.300 0.235 0.000 0.869 57 R HN 0.738 nan 8.270 nan 0.000 0.445 58 E N 0.290 120.564 120.200 0.123 0.000 2.274 58 E HA -0.097 4.255 4.350 0.003 0.000 0.194 58 E C 1.377 177.972 176.600 -0.008 0.000 0.996 58 E CA 1.212 57.654 56.400 0.068 0.000 0.840 58 E CB -0.373 29.343 29.700 0.027 0.000 0.772 58 E HN 0.523 nan 8.360 nan 0.000 0.491 59 N N -0.405 118.246 118.700 -0.083 0.000 2.388 59 N HA 0.056 4.798 4.740 0.003 0.000 0.176 59 N C 0.389 175.727 175.510 -0.286 0.000 1.062 59 N CA 0.235 53.170 53.050 -0.193 0.000 0.895 59 N CB 0.827 39.164 38.487 -0.250 0.000 1.018 59 N HN 0.277 nan 8.380 nan 0.000 0.456 60 V N 2.561 122.246 119.914 -0.382 0.000 2.585 60 V HA -0.064 4.058 4.120 0.003 0.000 0.296 60 V C 0.373 176.033 176.094 -0.722 0.000 1.035 60 V CA -0.209 61.663 62.300 -0.715 0.000 1.084 60 V CB 0.767 31.775 31.823 -1.358 0.000 0.953 60 V HN 0.112 nan 8.190 nan 0.000 0.483 61 D N 5.359 125.465 120.400 -0.490 0.000 2.508 61 D HA 0.109 4.751 4.640 0.003 0.000 0.224 61 D C -0.157 175.990 176.300 -0.255 0.000 1.171 61 D CA -0.345 53.504 54.000 -0.252 0.000 1.006 61 D CB -0.040 40.690 40.800 -0.117 0.000 1.073 61 D HN 0.434 nan 8.370 nan 0.000 0.513 62 W N 2.736 124.033 121.300 -0.006 0.000 2.223 62 W HA 0.427 5.088 4.660 0.003 0.000 0.334 62 W C 1.322 177.830 176.519 -0.019 0.000 1.334 62 W CA 0.249 57.589 57.345 -0.008 0.000 1.246 62 W CB 1.026 30.482 29.460 -0.006 0.000 1.184 62 W HN 0.475 nan 8.180 nan 0.000 0.563 63 G N 1.196 110.132 108.800 0.226 0.000 2.552 63 G HA2 -0.033 3.929 3.960 0.003 0.000 0.137 63 G HA3 -0.033 3.929 3.960 0.003 0.000 0.137 63 G C 0.328 175.270 174.900 0.070 0.000 1.135 63 G CA -0.227 44.934 45.100 0.102 0.000 1.047 63 G HN 0.426 nan 8.290 nan 0.000 0.501 64 K N -0.151 120.256 120.400 0.013 0.000 2.366 64 K HA 0.270 4.592 4.320 0.003 0.000 0.198 64 K C 1.603 178.197 176.600 -0.009 0.000 1.044 64 K CA 1.582 57.868 56.287 -0.001 0.000 0.973 64 K CB 0.259 32.743 32.500 -0.027 0.000 0.767 64 K HN 0.187 nan 8.250 nan 0.000 0.475 65 V N 1.281 121.179 119.914 -0.027 0.000 2.521 65 V HA -0.012 4.110 4.120 0.003 0.000 0.239 65 V C 0.281 176.375 176.094 0.000 0.000 1.053 65 V CA 0.395 62.663 62.300 -0.053 0.000 1.073 65 V CB -0.171 31.576 31.823 -0.127 0.000 0.746 65 V HN 0.328 nan 8.190 nan 0.000 0.476 66 N N 1.660 120.372 118.700 0.019 0.000 2.439 66 N HA 0.512 5.254 4.740 0.003 0.000 0.249 66 N C -0.867 174.862 175.510 0.365 0.000 1.003 66 N CA 0.204 53.303 53.050 0.082 0.000 0.942 66 N CB 1.388 39.764 38.487 -0.186 0.000 1.115 66 N HN 0.331 nan 8.380 nan 0.000 0.505 67 M N 1.550 121.385 119.600 0.391 0.000 2.253 67 M HA 0.320 4.802 4.480 0.003 0.000 0.314 67 M C 0.052 176.554 176.300 0.337 0.000 1.019 67 M CA -0.729 54.779 55.300 0.347 0.000 0.932 67 M CB 2.486 35.185 32.600 0.165 0.000 1.606 67 M HN 0.040 nan 8.290 nan 0.000 0.430 68 K N 1.924 122.338 120.400 0.024 0.000 2.414 68 K HA 0.380 4.702 4.320 0.003 0.000 0.272 68 K C -1.063 175.521 176.600 -0.026 0.000 0.993 68 K CA -0.166 55.996 56.287 -0.208 0.000 0.964 68 K CB 0.607 32.733 32.500 -0.623 0.000 0.925 68 K HN 0.388 nan 8.250 nan 0.000 0.487 69 L N 1.444 122.681 121.223 0.023 0.000 2.438 69 L HA 0.204 4.546 4.340 0.003 0.000 0.270 69 L C -0.503 176.398 176.870 0.052 0.000 0.972 69 L CA -0.199 54.680 54.840 0.065 0.000 0.831 69 L CB 1.884 44.031 42.059 0.147 0.000 1.273 69 L HN 0.769 nan 8.230 nan 0.000 0.405 70 S N 2.381 118.103 115.700 0.037 0.000 2.573 70 S HA 0.143 4.615 4.470 0.003 0.000 0.277 70 S C 0.822 175.477 174.600 0.091 0.000 1.346 70 S CA -0.023 58.198 58.200 0.034 0.000 1.034 70 S CB 0.587 63.798 63.200 0.019 0.000 0.879 70 S HN 0.774 nan 8.310 nan 0.000 0.528 71 E N 0.622 120.870 120.200 0.079 0.000 2.160 71 E HA -0.204 4.148 4.350 0.003 0.000 0.195 71 E C 1.757 178.446 176.600 0.149 0.000 0.991 71 E CA 1.363 57.836 56.400 0.122 0.000 0.810 71 E CB -0.115 29.633 29.700 0.080 0.000 0.742 71 E HN 0.833 nan 8.360 nan 0.000 0.466 72 E N 0.668 120.922 120.200 0.089 0.000 2.072 72 E HA -0.104 4.248 4.350 0.003 0.000 0.191 72 E C 1.998 178.637 176.600 0.066 0.000 0.985 72 E CA 1.195 57.635 56.400 0.065 0.000 0.801 72 E CB -0.141 29.580 29.700 0.035 0.000 0.750 72 E HN -0.046 nan 8.360 nan 0.000 0.452 73 S N -0.488 115.258 115.700 0.076 0.000 2.402 73 S HA -0.066 4.406 4.470 0.003 0.000 0.229 73 S C 1.486 176.138 174.600 0.087 0.000 1.021 73 S CA 0.769 59.006 58.200 0.063 0.000 0.974 73 S CB -0.421 62.816 63.200 0.062 0.000 0.800 73 S HN 0.414 nan 8.310 nan 0.000 0.484 74 F N 2.492 122.453 119.950 0.018 0.000 2.186 74 F HA 0.014 4.543 4.527 0.003 0.000 0.299 74 F C 2.195 178.002 175.800 0.010 0.000 1.090 74 F CA 0.868 58.884 58.000 0.027 0.000 1.307 74 F CB -0.597 38.430 39.000 0.046 0.000 1.019 74 F HN 0.175 nan 8.300 nan 0.000 0.489 75 A N 0.587 123.416 122.820 0.014 0.000 1.972 75 A HA -0.155 4.167 4.320 0.003 0.000 0.219 75 A C 2.309 179.803 177.584 -0.151 0.000 1.169 75 A CA 1.567 53.557 52.037 -0.078 0.000 0.635 75 A CB -0.609 18.401 19.000 0.018 0.000 0.810 75 A HN 0.449 nan 8.150 nan 0.000 0.446 76 R N -0.362 120.075 120.500 -0.104 0.000 2.062 76 R HA -0.106 4.236 4.340 0.003 0.000 0.231 76 R C 2.191 178.402 176.300 -0.147 0.000 1.136 76 R CA 1.730 57.771 56.100 -0.099 0.000 0.948 76 R CB -0.759 29.509 30.300 -0.053 0.000 0.845 76 R HN 0.559 nan 8.270 nan 0.000 0.430 77 V N -0.587 119.218 119.914 -0.182 0.000 2.427 77 V HA -0.169 3.953 4.120 0.003 0.000 0.248 77 V C 2.295 178.215 176.094 -0.289 0.000 1.051 77 V CA 1.812 63.993 62.300 -0.197 0.000 1.048 77 V CB -0.700 31.026 31.823 -0.162 0.000 0.666 77 V HN 0.224 nan 8.190 nan 0.000 0.456 78 R N 0.825 121.043 120.500 -0.470 0.000 2.096 78 R HA -0.176 4.166 4.340 0.003 0.000 0.235 78 R C 2.511 178.594 176.300 -0.361 0.000 1.127 78 R CA 1.985 57.776 56.100 -0.515 0.000 0.968 78 R CB -0.306 29.594 30.300 -0.666 0.000 0.861 78 R HN 0.643 nan 8.270 nan 0.000 0.440 79 K N 0.490 120.733 120.400 -0.262 0.000 2.025 79 K HA -0.099 4.223 4.320 0.003 0.000 0.207 79 K C 2.050 178.562 176.600 -0.147 0.000 1.049 79 K CA 1.527 57.701 56.287 -0.187 0.000 0.933 79 K CB -0.080 32.340 32.500 -0.132 0.000 0.714 79 K HN 0.190 nan 8.250 nan 0.000 0.438 80 I N 1.011 121.504 120.570 -0.127 0.000 2.208 80 I HA -0.291 3.881 4.170 0.003 0.000 0.245 80 I C 2.489 178.575 176.117 -0.050 0.000 1.097 80 I CA 1.231 62.484 61.300 -0.079 0.000 1.363 80 I CB -0.423 37.527 38.000 -0.084 0.000 1.051 80 I HN 0.285 nan 8.210 nan 0.000 0.413 81 A N 1.050 123.812 122.820 -0.097 0.000 1.845 81 A HA -0.213 4.109 4.320 0.003 0.000 0.215 81 A C 2.331 179.889 177.584 -0.043 0.000 1.195 81 A CA 1.610 53.622 52.037 -0.041 0.000 0.616 81 A CB -0.517 18.432 19.000 -0.085 0.000 0.832 81 A HN 0.290 nan 8.150 nan 0.000 0.443 82 K N -0.712 119.557 120.400 -0.218 0.000 2.103 82 K HA -0.200 4.122 4.320 0.003 0.000 0.207 82 K C 2.066 178.583 176.600 -0.137 0.000 1.048 82 K CA 1.545 57.679 56.287 -0.254 0.000 0.930 82 K CB -0.104 32.169 32.500 -0.378 0.000 0.716 82 K HN 0.518 nan 8.250 nan 0.000 0.444 83 E N 0.916 121.065 120.200 -0.085 0.000 2.051 83 E HA -0.188 4.164 4.350 0.003 0.000 0.192 83 E C 1.667 178.273 176.600 0.009 0.000 0.991 83 E CA 1.143 57.517 56.400 -0.044 0.000 0.799 83 E CB -0.288 29.397 29.700 -0.025 0.000 0.748 83 E HN 0.232 nan 8.360 nan 0.000 0.449 84 F N 0.628 120.530 119.950 -0.081 0.000 2.102 84 F HA -0.103 4.426 4.527 0.003 0.000 0.298 84 F C 1.879 177.653 175.800 -0.043 0.000 1.105 84 F CA 1.473 59.443 58.000 -0.049 0.000 1.239 84 F CB -0.383 38.599 39.000 -0.030 0.000 0.991 84 F HN 0.050 nan 8.300 nan 0.000 0.474 85 L N -0.070 121.115 121.223 -0.064 0.000 2.042 85 L HA -0.244 4.098 4.340 0.003 0.000 0.210 85 L C 1.950 178.694 176.870 -0.210 0.000 1.076 85 L CA 1.590 56.340 54.840 -0.150 0.000 0.749 85 L CB -0.833 41.197 42.059 -0.049 0.000 0.893 85 L HN 0.086 nan 8.230 nan 0.000 0.432 86 D N -0.944 119.348 120.400 -0.180 0.000 2.348 86 D HA -0.098 4.544 4.640 0.003 0.000 0.216 86 D C 1.890 178.085 176.300 -0.175 0.000 0.970 86 D CA 1.529 55.426 54.000 -0.171 0.000 0.889 86 D CB 0.002 40.716 40.800 -0.145 0.000 0.912 86 D HN 0.424 nan 8.370 nan 0.000 0.524 87 T N -2.177 112.253 114.554 -0.206 0.000 3.105 87 T HA 0.177 4.529 4.350 0.003 0.000 0.253 87 T C 0.931 175.483 174.700 -0.247 0.000 1.047 87 T CA -0.575 61.410 62.100 -0.191 0.000 0.944 87 T CB 0.690 69.476 68.868 -0.136 0.000 1.016 87 T HN -0.222 nan 8.240 nan 0.000 0.544 88 R N 1.688 121.997 120.500 -0.318 0.000 2.560 88 R HA 0.408 4.750 4.340 0.003 0.000 0.270 88 R C 1.133 177.287 176.300 -0.243 0.000 1.074 88 R CA -0.512 55.405 56.100 -0.304 0.000 1.140 88 R CB 0.499 30.599 30.300 -0.333 0.000 1.073 88 R HN 0.393 nan 8.270 nan 0.000 0.527 89 E N 0.562 120.628 120.200 -0.223 0.000 2.152 89 E HA -0.073 4.279 4.350 0.003 0.000 0.192 89 E C -0.146 176.074 176.600 -0.633 0.000 0.983 89 E CA 1.100 57.282 56.400 -0.362 0.000 0.818 89 E CB 0.174 29.699 29.700 -0.291 0.000 0.758 89 E HN 0.360 nan 8.360 nan 0.000 0.467 90 H N -0.703 118.269 119.070 -0.164 0.000 2.679 90 H HA 0.382 4.939 4.556 0.003 0.000 0.360 90 H C -1.213 173.889 175.328 -0.376 0.000 1.105 90 H CA -0.800 55.056 56.048 -0.321 0.000 1.196 90 H CB 1.908 31.448 29.762 -0.370 0.000 1.636 90 H HN -0.056 nan 8.280 nan 0.000 0.531 91 L N 2.882 123.853 121.223 -0.421 0.000 2.386 91 L HA 0.489 4.831 4.340 0.003 0.000 0.271 91 L C -1.647 174.903 176.870 -0.535 0.000 0.993 91 L CA -0.491 54.174 54.840 -0.293 0.000 0.819 91 L CB 1.233 43.209 42.059 -0.140 0.000 1.294 91 L HN 0.341 nan 8.230 nan 0.000 0.414 92 F N 4.200 124.186 119.950 0.060 0.000 2.482 92 F HA 0.693 5.222 4.527 0.003 0.000 0.331 92 F C -0.195 175.597 175.800 -0.014 0.000 1.115 92 F CA -0.798 57.210 58.000 0.014 0.000 0.955 92 F CB 2.027 41.008 39.000 -0.033 0.000 1.136 92 F HN 0.091 nan 8.300 nan 0.000 0.452 93 V N 3.923 123.859 119.914 0.038 0.000 2.495 93 V HA 0.611 4.733 4.120 0.003 0.000 0.298 93 V C -0.728 175.256 176.094 -0.183 0.000 1.031 93 V CA -0.857 61.330 62.300 -0.189 0.000 0.871 93 V CB 1.958 33.611 31.823 -0.284 0.000 0.988 93 V HN 0.490 nan 8.190 nan 0.000 0.432 94 V N 3.483 123.239 119.914 -0.262 0.000 2.409 94 V HA 0.448 4.570 4.120 0.003 0.000 0.290 94 V C -0.886 174.995 176.094 -0.356 0.000 1.017 94 V CA -0.641 61.512 62.300 -0.246 0.000 0.841 94 V CB 1.761 33.484 31.823 -0.167 0.000 1.003 94 V HN 0.833 nan 8.190 nan 0.000 0.426 95 D N 4.075 124.190 120.400 -0.475 0.000 2.198 95 D HA 0.704 5.346 4.640 0.003 0.000 0.245 95 D C -0.135 175.815 176.300 -0.584 0.000 1.079 95 D CA 0.101 53.648 54.000 -0.755 0.000 0.854 95 D CB 1.936 41.885 40.800 -1.419 0.000 1.148 95 D HN 0.818 nan 8.370 nan 0.000 0.456 96 C N -0.068 118.996 119.300 -0.393 0.000 3.314 96 C HA 0.720 5.182 4.460 0.003 0.000 0.344 96 C C -1.292 173.554 174.990 -0.241 0.000 1.461 96 C CA -1.092 57.747 59.018 -0.299 0.000 1.249 96 C CB 0.484 28.116 27.740 -0.181 0.000 1.632 96 C HN 0.385 nan 8.230 nan 0.000 0.452 97 F N 0.894 120.861 119.950 0.029 0.000 2.522 97 F HA 0.752 5.280 4.527 0.002 0.000 0.324 97 F C 0.586 176.346 175.800 -0.067 0.000 1.077 97 F CA -0.343 57.653 58.000 -0.007 0.000 0.944 97 F CB 1.920 40.885 39.000 -0.059 0.000 1.175 97 F HN 1.039 nan 8.300 nan 0.000 0.468 98 A N 1.846 124.768 122.820 0.170 0.000 2.311 98 A HA 0.765 5.087 4.320 0.003 0.000 0.306 98 A C -0.125 177.498 177.584 0.064 0.000 1.189 98 A CA -0.138 51.941 52.037 0.069 0.000 0.791 98 A CB 0.439 19.466 19.000 0.045 0.000 1.172 98 A HN 1.557 nan 8.150 nan 0.000 0.481 99 G N 1.821 110.649 108.800 0.046 0.000 3.367 99 G HA2 -0.049 3.913 3.960 0.003 0.000 0.686 99 G HA3 -0.049 3.913 3.960 0.003 0.000 0.686 99 G C -0.068 174.705 174.900 -0.213 0.000 1.146 99 G CA -0.398 44.709 45.100 0.012 0.000 0.913 99 G HN 0.872 nan 8.290 nan 0.000 0.554 100 H N 0.808 119.793 119.070 -0.142 0.000 2.551 100 H HA 0.042 4.600 4.556 0.003 0.000 0.266 100 H C 0.550 175.704 175.328 -0.289 0.000 0.964 100 H CA 0.854 56.814 56.048 -0.147 0.000 1.180 100 H CB 0.781 30.542 29.762 -0.002 0.000 1.408 100 H HN 0.489 nan 8.280 nan 0.000 0.563 101 D N 1.511 121.605 120.400 -0.511 0.000 2.365 101 D HA -0.003 4.639 4.640 0.003 0.000 0.237 101 D C 0.772 176.803 176.300 -0.448 0.000 1.190 101 D CA -0.024 53.690 54.000 -0.476 0.000 0.867 101 D CB 0.772 41.177 40.800 -0.659 0.000 1.050 101 D HN 0.290 nan 8.370 nan 0.000 0.491 102 E N 2.375 122.371 120.200 -0.340 0.000 2.273 102 E HA -0.210 4.142 4.350 0.003 0.000 0.198 102 E C 1.726 178.117 176.600 -0.347 0.000 1.002 102 E CA 0.686 56.877 56.400 -0.348 0.000 0.828 102 E CB 0.212 29.738 29.700 -0.291 0.000 0.747 102 E HN 0.546 nan 8.360 nan 0.000 0.491 103 R N -0.563 119.676 120.500 -0.435 0.000 2.299 103 R HA -0.064 4.278 4.340 0.003 0.000 0.197 103 R C 0.590 176.481 176.300 -0.682 0.000 0.971 103 R CA 0.929 56.688 56.100 -0.568 0.000 1.030 103 R CB 0.020 29.893 30.300 -0.711 0.000 0.932 103 R HN 0.316 nan 8.270 nan 0.000 0.477 104 Y N 1.347 121.543 120.300 -0.174 0.000 2.563 104 Y HA 0.250 4.803 4.550 0.004 0.000 0.250 104 Y C 0.284 176.110 175.900 -0.124 0.000 1.126 104 Y CA -1.149 56.889 58.100 -0.104 0.000 1.231 104 Y CB 0.606 39.022 38.460 -0.073 0.000 1.288 104 Y HN -0.008 nan 8.280 nan 0.000 0.537 105 R N 1.487 121.918 120.500 -0.115 0.000 2.643 105 R HA 0.350 4.692 4.340 0.003 0.000 0.270 105 R C -0.908 175.427 176.300 0.058 0.000 1.061 105 R CA -0.059 55.993 56.100 -0.080 0.000 1.107 105 R CB 0.580 30.739 30.300 -0.235 0.000 0.999 105 R HN 0.128 nan 8.270 nan 0.000 0.460 106 L N 2.162 123.467 121.223 0.138 0.000 2.329 106 L HA 0.412 4.754 4.340 0.003 0.000 0.279 106 L C 0.048 177.067 176.870 0.247 0.000 1.014 106 L CA -0.983 53.969 54.840 0.186 0.000 0.814 106 L CB 1.907 44.066 42.059 0.166 0.000 1.257 106 L HN 0.619 nan 8.230 nan 0.000 0.424 107 K N 2.587 123.089 120.400 0.170 0.000 2.285 107 K HA 0.450 4.772 4.320 0.003 0.000 0.286 107 K C -1.016 175.669 176.600 0.142 0.000 1.072 107 K CA -0.374 55.934 56.287 0.035 0.000 0.913 107 K CB 1.526 33.767 32.500 -0.431 0.000 1.067 107 K HN 0.257 nan 8.250 nan 0.000 0.479 108 V N 3.827 123.856 119.914 0.192 0.000 2.495 108 V HA 0.389 4.511 4.120 0.003 0.000 0.298 108 V C -0.250 175.883 176.094 0.065 0.000 1.031 108 V CA -0.941 61.436 62.300 0.129 0.000 0.871 108 V CB 1.641 33.493 31.823 0.048 0.000 0.988 108 V HN 0.688 nan 8.190 nan 0.000 0.432 109 R N 3.453 123.950 120.500 -0.003 0.000 2.387 109 R HA 0.756 5.098 4.340 0.003 0.000 0.314 109 R C -1.747 174.383 176.300 -0.284 0.000 0.958 109 R CA -0.363 55.618 56.100 -0.198 0.000 0.846 109 R CB 1.789 31.970 30.300 -0.197 0.000 1.147 109 R HN 0.542 nan 8.270 nan 0.000 0.447 110 V N 5.546 125.251 119.914 -0.348 0.000 2.448 110 V HA 0.474 4.596 4.120 0.003 0.000 0.295 110 V C -0.809 175.084 176.094 -0.336 0.000 1.025 110 V CA -0.640 61.508 62.300 -0.253 0.000 0.859 110 V CB 1.358 33.098 31.823 -0.139 0.000 0.988 110 V HN 0.605 nan 8.190 nan 0.000 0.431 111 F N 3.042 122.976 119.950 -0.027 0.000 2.427 111 F HA 0.692 5.221 4.527 0.003 0.000 0.346 111 F C 0.627 176.485 175.800 0.097 0.000 1.120 111 F CA -0.281 57.745 58.000 0.045 0.000 1.033 111 F CB 2.095 41.151 39.000 0.093 0.000 1.126 111 F HN 0.598 nan 8.300 nan 0.000 0.462 112 T N -2.104 112.633 114.554 0.305 0.000 2.896 112 T HA 0.436 4.788 4.350 0.003 0.000 0.297 112 T C 0.452 175.353 174.700 0.336 0.000 1.108 112 T CA -0.151 62.121 62.100 0.287 0.000 1.004 112 T CB 1.731 70.730 68.868 0.218 0.000 1.159 112 T HN 0.555 nan 8.240 nan 0.000 0.499 113 T N -1.223 113.515 114.554 0.307 0.000 3.023 113 T HA 0.300 4.652 4.350 0.003 0.000 0.249 113 T C 0.703 175.571 174.700 0.280 0.000 1.050 113 T CA -0.286 61.989 62.100 0.291 0.000 1.088 113 T CB -0.050 68.963 68.868 0.243 0.000 0.946 113 T HN 0.605 nan 8.240 nan 0.000 0.480 114 R N 2.065 122.643 120.500 0.129 0.000 2.254 114 R HA 0.321 4.663 4.340 0.003 0.000 0.318 114 R C -2.136 174.031 176.300 -0.222 0.000 1.031 114 R CA -2.097 53.967 56.100 -0.060 0.000 0.905 114 R CB 1.091 31.206 30.300 -0.308 0.000 1.050 114 R HN 0.099 nan 8.270 nan 0.000 0.456 115 P HA -0.209 nan 4.420 nan 0.000 0.216 115 P C 0.947 178.089 177.300 -0.263 0.000 1.150 115 P CA 1.237 63.936 63.100 -0.669 0.000 0.837 115 P CB -0.030 31.333 31.700 -0.563 0.000 0.786 116 Y N -1.463 118.709 120.300 -0.213 0.000 2.352 116 Y HA -0.175 4.377 4.550 0.003 0.000 0.292 116 Y C 2.098 178.011 175.900 0.022 0.000 1.136 116 Y CA 1.400 59.439 58.100 -0.103 0.000 1.227 116 Y CB -1.507 36.894 38.460 -0.098 0.000 0.991 116 Y HN 0.129 nan 8.280 nan 0.000 0.545 117 H N -0.052 118.626 119.070 -0.653 0.000 2.423 117 H HA -0.001 4.557 4.556 0.003 0.000 0.297 117 H C 2.292 177.507 175.328 -0.189 0.000 1.075 117 H CA 0.437 56.142 56.048 -0.573 0.000 1.342 117 H CB 0.187 29.664 29.762 -0.475 0.000 1.395 117 H HN 0.564 nan 8.280 nan 0.000 0.530 118 A N 0.984 123.778 122.820 -0.043 0.000 1.872 118 A HA -0.118 4.204 4.320 0.003 0.000 0.214 118 A C 2.210 179.770 177.584 -0.040 0.000 1.187 118 A CA 0.960 52.973 52.037 -0.039 0.000 0.614 118 A CB -0.554 18.400 19.000 -0.078 0.000 0.826 118 A HN 0.308 nan 8.150 nan 0.000 0.442 119 L N -1.235 119.965 121.223 -0.038 0.000 2.046 119 L HA -0.099 4.243 4.340 0.003 0.000 0.208 119 L C 2.148 179.012 176.870 -0.010 0.000 1.077 119 L CA 2.201 57.024 54.840 -0.029 0.000 0.747 119 L CB -0.900 41.154 42.059 -0.008 0.000 0.896 119 L HN 0.432 nan 8.230 nan 0.000 0.432 120 F N -0.377 119.512 119.950 -0.102 0.000 2.095 120 F HA -0.285 4.244 4.527 0.003 0.000 0.298 120 F C 2.196 177.887 175.800 -0.181 0.000 1.104 120 F CA 1.972 59.890 58.000 -0.136 0.000 1.232 120 F CB -0.189 38.700 39.000 -0.185 0.000 0.987 120 F HN 0.082 nan 8.300 nan 0.000 0.475 121 M N -0.088 119.454 119.600 -0.095 0.000 2.319 121 M HA -0.081 4.401 4.480 0.003 0.000 0.265 121 M C 2.246 178.412 176.300 -0.224 0.000 1.068 121 M CA 1.171 56.347 55.300 -0.207 0.000 1.118 121 M CB -1.360 31.191 32.600 -0.082 0.000 1.395 121 M HN 0.234 nan 8.290 nan 0.000 0.435 122 R N 0.504 120.900 120.500 -0.173 0.000 2.092 122 R HA -0.152 4.190 4.340 0.003 0.000 0.231 122 R C 1.361 177.551 176.300 -0.184 0.000 1.119 122 R CA 1.545 57.553 56.100 -0.154 0.000 0.970 122 R CB 0.107 30.339 30.300 -0.114 0.000 0.864 122 R HN 0.231 nan 8.270 nan 0.000 0.440 123 D N -0.172 120.084 120.400 -0.241 0.000 2.137 123 D HA -0.098 4.543 4.640 0.003 0.000 0.202 123 D C 1.785 177.884 176.300 -0.336 0.000 0.970 123 D CA 1.001 54.837 54.000 -0.273 0.000 0.837 123 D CB 0.020 40.642 40.800 -0.297 0.000 0.981 123 D HN 0.169 nan 8.370 nan 0.000 0.475 124 M N -0.015 119.282 119.600 -0.504 0.000 2.419 124 M HA 0.117 4.599 4.480 0.003 0.000 0.264 124 M C 0.966 177.081 176.300 -0.308 0.000 1.082 124 M CA 0.552 55.536 55.300 -0.525 0.000 1.119 124 M CB -0.202 31.835 32.600 -0.939 0.000 1.398 124 M HN -0.054 nan 8.290 nan 0.000 0.453 125 L N -1.045 120.035 121.223 -0.239 0.000 2.267 125 L HA 0.513 4.854 4.340 0.003 0.000 0.264 125 L C -0.190 176.617 176.870 -0.105 0.000 1.021 125 L CA -1.037 53.716 54.840 -0.144 0.000 0.861 125 L CB 1.621 43.606 42.059 -0.123 0.000 1.443 125 L HN -0.138 nan 8.230 nan 0.000 0.475 126 I N 1.007 121.539 120.570 -0.064 0.000 2.352 126 I HA 0.128 4.300 4.170 0.003 0.000 0.290 126 I C -0.305 175.821 176.117 0.014 0.000 1.036 126 I CA -0.531 60.748 61.300 -0.036 0.000 1.336 126 I CB 1.362 39.314 38.000 -0.081 0.000 1.407 126 I HN 0.105 nan 8.210 nan 0.000 0.497 127 V N 8.779 128.691 119.914 -0.004 0.000 2.470 127 V HA 0.126 4.248 4.120 0.003 0.000 0.276 127 V C -1.857 174.273 176.094 0.060 0.000 1.040 127 V CA -1.149 61.141 62.300 -0.017 0.000 1.008 127 V CB 0.168 31.977 31.823 -0.024 0.000 0.990 127 V HN 0.615 nan 8.190 nan 0.000 0.477 128 P HA 0.259 nan 4.420 nan 0.000 0.274 128 P C 0.088 177.453 177.300 0.107 0.000 1.237 128 P CA -0.316 62.884 63.100 0.167 0.000 0.793 128 P CB 0.356 32.056 31.700 0.000 0.000 0.977 129 T N -1.089 113.553 114.554 0.147 0.000 2.860 129 T HA 0.171 4.523 4.350 0.003 0.000 0.299 129 T C -1.858 172.883 174.700 0.068 0.000 1.045 129 T CA -1.363 60.788 62.100 0.086 0.000 1.071 129 T CB -0.043 68.874 68.868 0.081 0.000 0.985 129 T HN 0.165 nan 8.240 nan 0.000 0.537 130 P HA -0.040 nan 4.420 nan 0.000 0.216 130 P C 1.859 179.185 177.300 0.044 0.000 1.150 130 P CA 1.954 65.072 63.100 0.030 0.000 0.843 130 P CB -0.267 31.448 31.700 0.025 0.000 0.787 131 E N 0.632 120.865 120.200 0.055 0.000 2.051 131 E HA -0.261 4.090 4.350 0.003 0.000 0.192 131 E C 1.876 178.530 176.600 0.090 0.000 0.991 131 E CA 1.590 58.026 56.400 0.061 0.000 0.799 131 E CB -1.582 28.150 29.700 0.053 0.000 0.748 131 E HN 0.461 nan 8.360 nan 0.000 0.449 132 E N -0.073 120.205 120.200 0.129 0.000 2.153 132 E HA -0.050 4.302 4.350 0.003 0.000 0.194 132 E C 2.325 179.062 176.600 0.228 0.000 0.988 132 E CA 0.942 57.468 56.400 0.210 0.000 0.811 132 E CB -0.163 29.743 29.700 0.343 0.000 0.746 132 E HN 0.480 nan 8.360 nan 0.000 0.466 133 L N 0.484 121.787 121.223 0.132 0.000 2.093 133 L HA -0.134 4.208 4.340 0.003 0.000 0.208 133 L C 2.573 179.496 176.870 0.089 0.000 1.085 133 L CA 0.854 55.729 54.840 0.058 0.000 0.755 133 L CB -0.398 41.625 42.059 -0.061 0.000 0.904 133 L HN 0.140 nan 8.230 nan 0.000 0.435 134 A N -0.290 122.574 122.820 0.073 0.000 1.972 134 A HA -0.171 4.151 4.320 0.003 0.000 0.219 134 A C 2.018 179.652 177.584 0.085 0.000 1.169 134 A CA 2.041 54.115 52.037 0.062 0.000 0.635 134 A CB -0.682 18.346 19.000 0.046 0.000 0.810 134 A HN 0.490 nan 8.150 nan 0.000 0.446 135 T N -4.873 109.746 114.554 0.108 0.000 3.215 135 T HA 0.263 4.615 4.350 0.003 0.000 0.271 135 T C 0.947 175.721 174.700 0.122 0.000 1.012 135 T CA -0.059 62.098 62.100 0.095 0.000 0.899 135 T CB -0.553 68.356 68.868 0.068 0.000 1.089 135 T HN 0.220 nan 8.240 nan 0.000 0.552 136 F N 2.959 122.908 119.950 -0.001 0.000 2.171 136 F HA 0.200 4.729 4.527 0.004 0.000 0.300 136 F C 1.833 177.627 175.800 -0.010 0.000 1.090 136 F CA 1.460 59.445 58.000 -0.024 0.000 1.293 136 F CB -0.579 38.367 39.000 -0.089 0.000 1.013 136 F HN 0.591 nan 8.300 nan 0.000 0.486 137 G N 0.144 109.022 108.800 0.129 0.000 2.566 137 G HA2 -0.402 3.560 3.960 0.003 0.000 0.280 137 G HA3 -0.402 3.560 3.960 0.003 0.000 0.280 137 G C -0.045 174.894 174.900 0.065 0.000 1.225 137 G CA 0.276 45.408 45.100 0.053 0.000 0.966 137 G HN 0.548 nan 8.290 nan 0.000 0.560 138 E N 2.462 122.661 120.200 -0.002 0.000 2.229 138 E HA 0.433 4.785 4.350 0.003 0.000 0.283 138 E C -1.819 174.750 176.600 -0.052 0.000 1.030 138 E CA -1.683 54.727 56.400 0.016 0.000 0.836 138 E CB 0.986 30.693 29.700 0.011 0.000 1.068 138 E HN 0.357 nan 8.360 nan 0.000 0.401 139 P HA 0.037 nan 4.420 nan 0.000 0.272 139 P C -0.376 176.920 177.300 -0.005 0.000 1.223 139 P CA -0.146 62.960 63.100 0.011 0.000 0.784 139 P CB 0.954 32.771 31.700 0.195 0.000 0.923 140 D N 0.057 120.467 120.400 0.016 0.000 2.194 140 D HA -0.037 4.605 4.640 0.003 0.000 0.204 140 D C 0.140 176.407 176.300 -0.055 0.000 0.964 140 D CA 1.765 55.785 54.000 0.033 0.000 0.846 140 D CB -0.040 40.862 40.800 0.170 0.000 0.962 140 D HN 0.439 nan 8.370 nan 0.000 0.490 141 Y N -0.794 119.522 120.300 0.027 0.000 2.524 141 Y HA 0.396 4.947 4.550 0.003 0.000 0.347 141 Y C -0.495 175.397 175.900 -0.014 0.000 1.005 141 Y CA -0.907 57.201 58.100 0.014 0.000 1.025 141 Y CB 2.440 40.906 38.460 0.010 0.000 1.275 141 Y HN -0.422 nan 8.280 nan 0.000 0.460 142 V N 4.636 124.602 119.914 0.088 0.000 2.588 142 V HA 0.476 4.598 4.120 0.003 0.000 0.304 142 V C -0.633 175.360 176.094 -0.168 0.000 1.042 142 V CA -0.845 61.406 62.300 -0.082 0.000 0.877 142 V CB 1.974 33.690 31.823 -0.178 0.000 0.996 142 V HN 0.552 nan 8.190 nan 0.000 0.425 143 I N 4.607 125.069 120.570 -0.181 0.000 2.362 143 I HA 0.410 4.582 4.170 0.003 0.000 0.289 143 I C -1.205 174.848 176.117 -0.107 0.000 0.994 143 I CA -0.496 60.742 61.300 -0.102 0.000 1.158 143 I CB 1.395 39.377 38.000 -0.030 0.000 1.315 143 I HN 0.567 nan 8.210 nan 0.000 0.451 144 Y N 4.854 125.275 120.300 0.201 0.000 2.595 144 Y HA 0.224 4.775 4.550 0.003 0.000 0.336 144 Y C 0.603 176.587 175.900 0.140 0.000 0.996 144 Y CA -0.645 57.569 58.100 0.190 0.000 1.260 144 Y CB 0.331 38.847 38.460 0.095 0.000 1.108 144 Y HN 0.467 nan 8.280 nan 0.000 0.509 145 N N 3.079 121.936 118.700 0.260 0.000 2.663 145 N HA 0.210 4.952 4.740 0.003 0.000 0.250 145 N C -0.081 175.575 175.510 0.243 0.000 1.129 145 N CA 0.001 53.160 53.050 0.182 0.000 0.995 145 N CB 0.814 39.357 38.487 0.093 0.000 1.324 145 N HN 0.709 nan 8.380 nan 0.000 0.512 146 A N 1.945 124.894 122.820 0.215 0.000 2.684 146 A HA 0.334 4.656 4.320 0.003 0.000 0.288 146 A C 1.668 179.284 177.584 0.053 0.000 1.337 146 A CA -0.134 52.043 52.037 0.233 0.000 0.946 146 A CB -0.376 18.736 19.000 0.187 0.000 1.093 146 A HN 0.569 nan 8.150 nan 0.000 0.543 147 G N 0.296 109.162 108.800 0.110 0.000 2.485 147 G HA2 -0.246 3.716 3.960 0.003 0.000 0.221 147 G HA3 -0.246 3.716 3.960 0.003 0.000 0.221 147 G C 1.108 176.028 174.900 0.034 0.000 1.115 147 G CA 1.071 46.217 45.100 0.077 0.000 0.751 147 G HN 0.689 nan 8.290 nan 0.000 0.567 148 E N -1.075 119.156 120.200 0.051 0.000 2.478 148 E HA 0.037 4.389 4.350 0.003 0.000 0.198 148 E C 0.456 176.863 176.600 -0.322 0.000 1.046 148 E CA -0.265 56.132 56.400 -0.006 0.000 0.870 148 E CB 0.117 29.944 29.700 0.211 0.000 0.818 148 E HN 0.307 nan 8.360 nan 0.000 0.527 149 C N 1.662 120.583 119.300 -0.632 0.000 2.329 149 C HA 0.274 4.736 4.460 0.003 0.000 0.329 149 C C 0.050 174.826 174.990 -0.356 0.000 1.275 149 C CA -0.954 57.587 59.018 -0.797 0.000 1.726 149 C CB 0.028 26.887 27.740 -1.469 0.000 2.291 149 C HN 0.135 nan 8.230 nan 0.000 0.514 150 K N 3.485 123.741 120.400 -0.241 0.000 2.258 150 K HA 0.500 4.822 4.320 0.003 0.000 0.264 150 K C 0.266 176.796 176.600 -0.117 0.000 1.007 150 K CA -0.026 56.182 56.287 -0.132 0.000 0.941 150 K CB 0.787 33.233 32.500 -0.089 0.000 0.966 150 K HN 0.820 nan 8.250 nan 0.000 0.480 151 A N 1.431 124.206 122.820 -0.075 0.000 2.264 151 A HA 0.114 4.436 4.320 0.003 0.000 0.304 151 A C -0.525 177.031 177.584 -0.046 0.000 1.100 151 A CA -0.538 51.463 52.037 -0.060 0.000 0.839 151 A CB 0.612 19.589 19.000 -0.038 0.000 1.121 151 A HN 0.737 nan 8.150 nan 0.000 0.496 152 D N 1.209 121.584 120.400 -0.041 0.000 2.352 152 D HA 0.214 4.856 4.640 0.003 0.000 0.245 152 D C -1.400 174.887 176.300 -0.021 0.000 1.224 152 D CA -1.875 52.107 54.000 -0.030 0.000 0.879 152 D CB 1.004 41.785 40.800 -0.030 0.000 1.057 152 D HN 0.176 nan 8.370 nan 0.000 0.491 153 P HA -0.155 nan 4.420 nan 0.000 0.221 153 P C 1.028 178.324 177.300 -0.007 0.000 1.145 153 P CA 0.705 63.799 63.100 -0.009 0.000 0.795 153 P CB 0.139 31.834 31.700 -0.008 0.000 0.775 154 S N -0.862 114.832 115.700 -0.009 0.000 2.522 154 S HA -0.003 4.469 4.470 0.003 0.000 0.227 154 S C 1.117 175.713 174.600 -0.007 0.000 0.986 154 S CA -0.196 57.999 58.200 -0.008 0.000 0.929 154 S CB -1.227 61.968 63.200 -0.010 0.000 0.769 154 S HN 0.056 nan 8.310 nan 0.000 0.529 155 I N 3.298 123.863 120.570 -0.008 0.000 2.741 155 I HA 0.101 4.273 4.170 0.003 0.000 0.288 155 I C -2.341 173.776 176.117 0.001 0.000 1.192 155 I CA -1.740 59.557 61.300 -0.006 0.000 1.426 155 I CB 0.142 38.137 38.000 -0.008 0.000 1.367 155 I HN 0.023 nan 8.210 nan 0.000 0.563 156 P HA 0.023 nan 4.420 nan 0.000 0.263 156 P C 0.753 178.058 177.300 0.010 0.000 1.195 156 P CA 0.769 63.870 63.100 0.002 0.000 0.762 156 P CB 0.621 32.321 31.700 -0.000 0.000 0.799 157 G N 1.783 110.588 108.800 0.008 0.000 2.284 157 G HA2 -0.193 3.769 3.960 0.003 0.000 0.216 157 G HA3 -0.193 3.769 3.960 0.003 0.000 0.216 157 G C -0.264 174.651 174.900 0.025 0.000 1.009 157 G CA -0.505 44.605 45.100 0.016 0.000 0.625 157 G HN 0.425 nan 8.290 nan 0.000 0.501 158 L N 1.300 122.536 121.223 0.021 0.000 2.399 158 L HA 0.705 5.047 4.340 0.003 0.000 0.265 158 L C 1.623 178.502 176.870 0.015 0.000 1.089 158 L CA 1.036 55.889 54.840 0.022 0.000 0.802 158 L CB 1.746 43.816 42.059 0.017 0.000 1.180 158 L HN 0.385 nan 8.230 nan 0.000 0.454 159 T N -3.924 110.640 114.554 0.016 0.000 3.111 159 T HA 0.402 4.754 4.350 0.003 0.000 0.284 159 T C 0.196 174.902 174.700 0.009 0.000 0.983 159 T CA 0.316 62.423 62.100 0.011 0.000 0.900 159 T CB -0.021 68.854 68.868 0.013 0.000 1.132 159 T HN 0.636 nan 8.240 nan 0.000 0.531 160 S N 0.260 115.966 115.700 0.009 0.000 2.683 160 S HA 0.405 4.877 4.470 0.003 0.000 0.269 160 S C 0.609 175.210 174.600 0.002 0.000 1.165 160 S CA 0.035 58.238 58.200 0.006 0.000 0.840 160 S CB 0.707 63.913 63.200 0.010 0.000 1.169 160 S HN 0.295 nan 8.310 nan 0.000 0.490 161 T N -0.891 113.662 114.554 -0.002 0.000 3.194 161 T HA 0.284 4.636 4.350 0.003 0.000 0.251 161 T C 0.398 175.092 174.700 -0.009 0.000 1.132 161 T CA 0.390 62.483 62.100 -0.012 0.000 1.028 161 T CB -0.699 68.158 68.868 -0.019 0.000 0.976 161 T HN 0.621 nan 8.240 nan 0.000 0.535 162 T N 1.549 116.107 114.554 0.006 0.000 2.824 162 T HA 0.578 4.929 4.350 0.003 0.000 0.280 162 T C -0.882 173.835 174.700 0.028 0.000 0.995 162 T CA -0.658 61.453 62.100 0.018 0.000 1.009 162 T CB 1.393 70.279 68.868 0.030 0.000 0.955 162 T HN 0.410 nan 8.240 nan 0.000 0.452 163 C N 3.645 122.966 119.300 0.036 0.000 2.716 163 C HA 0.636 5.097 4.460 0.003 0.000 0.366 163 C C -1.285 173.751 174.990 0.077 0.000 1.073 163 C CA -0.421 58.631 59.018 0.055 0.000 1.260 163 C CB -0.077 27.689 27.740 0.043 0.000 1.755 163 C HN 0.722 nan 8.230 nan 0.000 0.475 164 V N 5.883 125.857 119.914 0.100 0.000 2.289 164 V HA 0.702 4.824 4.120 0.003 0.000 0.272 164 V C 0.517 176.701 176.094 0.150 0.000 1.026 164 V CA -0.023 62.349 62.300 0.119 0.000 0.807 164 V CB 0.884 32.774 31.823 0.113 0.000 1.044 164 V HN 1.096 nan 8.190 nan 0.000 0.443 165 A N 4.877 127.818 122.820 0.203 0.000 2.330 165 A HA 0.926 5.248 4.320 0.003 0.000 0.327 165 A C -1.134 176.606 177.584 0.260 0.000 1.155 165 A CA -0.563 51.635 52.037 0.268 0.000 0.803 165 A CB 1.531 20.785 19.000 0.423 0.000 1.208 165 A HN 0.713 nan 8.150 nan 0.000 0.477 166 L N 2.445 123.725 121.223 0.094 0.000 2.333 166 L HA 0.514 4.855 4.340 0.003 0.000 0.280 166 L C -0.705 175.989 176.870 -0.294 0.000 1.004 166 L CA -0.301 54.482 54.840 -0.095 0.000 0.820 166 L CB 1.576 43.519 42.059 -0.194 0.000 1.247 166 L HN 0.711 nan 8.230 nan 0.000 0.416 167 N N 4.312 122.742 118.700 -0.449 0.000 2.511 167 N HA 0.175 4.917 4.740 0.003 0.000 0.249 167 N C 0.274 175.628 175.510 -0.261 0.000 0.971 167 N CA -0.229 52.513 53.050 -0.514 0.000 0.938 167 N CB 0.600 38.455 38.487 -1.052 0.000 1.131 167 N HN 0.555 nan 8.380 nan 0.000 0.505 168 F N 2.206 122.156 119.950 0.001 0.000 2.407 168 F HA 0.042 4.571 4.527 0.003 0.000 0.299 168 F C 2.309 178.115 175.800 0.011 0.000 1.097 168 F CA 0.765 58.817 58.000 0.086 0.000 1.422 168 F CB 0.226 39.286 39.000 0.101 0.000 1.067 168 F HN 0.482 nan 8.300 nan 0.000 0.539 169 K N 0.328 120.802 120.400 0.123 0.000 2.007 169 K HA -0.135 4.186 4.320 0.003 0.000 0.206 169 K C 1.979 178.579 176.600 0.000 0.000 1.047 169 K CA 1.876 58.199 56.287 0.060 0.000 0.937 169 K CB -0.295 32.232 32.500 0.044 0.000 0.718 169 K HN 0.301 nan 8.250 nan 0.000 0.438 170 T N -1.566 112.970 114.554 -0.030 0.000 3.100 170 T HA 0.152 4.504 4.350 0.003 0.000 0.253 170 T C 0.024 174.674 174.700 -0.083 0.000 1.118 170 T CA -0.264 61.829 62.100 -0.011 0.000 1.058 170 T CB -0.193 68.721 68.868 0.078 0.000 0.953 170 T HN 0.295 nan 8.240 nan 0.000 0.515 171 R N 1.400 121.789 120.500 -0.185 0.000 3.152 171 R HA -0.119 4.223 4.340 0.003 0.000 0.252 171 R C -1.095 175.105 176.300 -0.166 0.000 0.930 171 R CA 0.567 56.373 56.100 -0.490 0.000 0.642 171 R CB -2.067 27.617 30.300 -1.027 0.000 1.205 171 R HN 0.687 nan 8.270 nan 0.000 0.452 172 E N 0.246 120.486 120.200 0.066 0.000 2.356 172 E HA 0.307 4.659 4.350 0.003 0.000 0.275 172 E C -1.090 175.683 176.600 0.288 0.000 0.904 172 E CA -0.906 55.640 56.400 0.243 0.000 0.757 172 E CB 2.587 32.577 29.700 0.483 0.000 1.232 172 E HN 0.236 nan 8.360 nan 0.000 0.442 173 Q N 1.892 121.862 119.800 0.283 0.000 2.340 173 Q HA 0.511 4.853 4.340 0.003 0.000 0.268 173 Q C -1.722 174.484 176.000 0.342 0.000 1.031 173 Q CA -0.706 55.256 55.803 0.265 0.000 0.804 173 Q CB 1.980 30.796 28.738 0.131 0.000 1.286 173 Q HN 0.340 nan 8.270 nan 0.000 0.448 174 V N 5.723 125.849 119.914 0.354 0.000 2.495 174 V HA 0.516 4.638 4.120 0.003 0.000 0.298 174 V C -0.375 175.816 176.094 0.161 0.000 1.031 174 V CA -0.554 61.892 62.300 0.244 0.000 0.871 174 V CB 1.717 33.574 31.823 0.056 0.000 0.988 174 V HN 0.729 nan 8.190 nan 0.000 0.432 175 I N 6.150 126.798 120.570 0.131 0.000 2.436 175 I HA 0.572 4.744 4.170 0.003 0.000 0.289 175 I C -0.864 175.286 176.117 0.055 0.000 1.010 175 I CA -0.379 60.973 61.300 0.087 0.000 1.098 175 I CB 1.728 39.769 38.000 0.067 0.000 1.266 175 I HN 0.340 nan 8.210 nan 0.000 0.434 176 L N 4.622 125.863 121.223 0.029 0.000 2.445 176 L HA 0.577 4.919 4.340 0.003 0.000 0.262 176 L C 0.610 177.475 176.870 -0.008 0.000 0.974 176 L CA -0.624 54.205 54.840 -0.018 0.000 0.822 176 L CB 2.136 44.169 42.059 -0.044 0.000 1.339 176 L HN 0.835 nan 8.230 nan 0.000 0.409 177 G N 0.957 109.737 108.800 -0.033 0.000 2.176 177 G HA2 -0.215 3.747 3.960 0.003 0.000 0.252 177 G HA3 -0.215 3.747 3.960 0.003 0.000 0.252 177 G C 0.032 174.956 174.900 0.040 0.000 1.024 177 G CA 0.655 45.750 45.100 -0.008 0.000 0.755 177 G HN 0.816 nan 8.290 nan 0.000 0.507 178 T N -1.763 112.833 114.554 0.069 0.000 3.393 178 T HA 0.493 4.845 4.350 0.003 0.000 0.359 178 T C 0.038 174.838 174.700 0.167 0.000 1.380 178 T CA 0.068 62.241 62.100 0.122 0.000 1.132 178 T CB 1.118 70.060 68.868 0.123 0.000 1.284 178 T HN 0.149 nan 8.240 nan 0.000 0.477 179 E N 2.607 122.956 120.200 0.248 0.000 2.501 179 E HA 0.134 4.486 4.350 0.003 0.000 0.200 179 E C -0.739 176.086 176.600 0.376 0.000 1.016 179 E CA -0.354 56.266 56.400 0.366 0.000 0.921 179 E CB 0.424 30.370 29.700 0.409 0.000 1.034 179 E HN 0.571 nan 8.360 nan 0.000 0.468 180 Y N 1.213 121.589 120.300 0.127 0.000 2.537 180 Y HA 0.152 4.704 4.550 0.003 0.000 0.339 180 Y C 1.226 177.058 175.900 -0.114 0.000 1.066 180 Y CA -0.421 57.728 58.100 0.082 0.000 1.357 180 Y CB 0.591 39.099 38.460 0.081 0.000 1.175 180 Y HN 0.018 nan 8.280 nan 0.000 0.525 181 A N 4.883 127.271 122.820 -0.721 0.000 1.978 181 A HA -0.135 4.187 4.320 0.003 0.000 0.220 181 A C 2.308 179.195 177.584 -1.161 0.000 1.170 181 A CA 1.681 52.978 52.037 -1.234 0.000 0.636 181 A CB -1.353 16.517 19.000 -1.882 0.000 0.810 181 A HN 1.053 nan 8.150 nan 0.000 0.448 182 G N -0.424 107.663 108.800 -1.187 0.000 2.479 182 G HA2 -0.220 3.742 3.960 0.003 0.000 0.220 182 G HA3 -0.220 3.742 3.960 0.003 0.000 0.220 182 G C 1.291 176.153 174.900 -0.063 0.000 1.115 182 G CA 0.950 45.800 45.100 -0.417 0.000 0.757 182 G HN 0.538 nan 8.290 nan 0.000 0.560 183 E N 0.205 120.387 120.200 -0.031 0.000 2.110 183 E HA -0.103 4.249 4.350 0.003 0.000 0.193 183 E C 2.568 179.163 176.600 -0.009 0.000 0.988 183 E CA 0.814 57.255 56.400 0.070 0.000 0.804 183 E CB -0.281 29.466 29.700 0.080 0.000 0.745 183 E HN 0.519 nan 8.360 nan 0.000 0.458 184 M N 0.432 119.963 119.600 -0.116 0.000 2.077 184 M HA -0.135 4.347 4.480 0.003 0.000 0.261 184 M C 2.478 178.758 176.300 -0.033 0.000 1.070 184 M CA 1.336 56.590 55.300 -0.077 0.000 1.125 184 M CB -0.313 32.218 32.600 -0.115 0.000 1.339 184 M HN -0.063 nan 8.290 nan 0.000 0.409 185 K N 0.669 121.060 120.400 -0.015 0.000 2.009 185 K HA -0.190 4.132 4.320 0.003 0.000 0.210 185 K C 1.811 178.378 176.600 -0.054 0.000 1.049 185 K CA 1.381 57.652 56.287 -0.026 0.000 0.929 185 K CB 0.049 32.543 32.500 -0.010 0.000 0.714 185 K HN 0.054 nan 8.250 nan 0.000 0.440 186 K N -0.010 120.368 120.400 -0.037 0.000 2.365 186 K HA -0.023 4.299 4.320 0.003 0.000 0.199 186 K C 2.009 178.624 176.600 0.024 0.000 1.045 186 K CA 1.015 57.248 56.287 -0.090 0.000 0.962 186 K CB -0.191 32.301 32.500 -0.014 0.000 0.759 186 K HN 0.437 nan 8.250 nan 0.000 0.469 187 G N 1.476 110.295 108.800 0.032 0.000 2.394 187 G HA2 -0.159 3.803 3.960 0.003 0.000 0.215 187 G HA3 -0.159 3.803 3.960 0.003 0.000 0.215 187 G C 1.465 176.355 174.900 -0.016 0.000 1.165 187 G CA 0.083 45.204 45.100 0.034 0.000 0.784 187 G HN 0.110 nan 8.290 nan 0.000 0.535 188 I N 0.680 121.219 120.570 -0.052 0.000 2.315 188 I HA -0.052 4.120 4.170 0.003 0.000 0.248 188 I C 2.587 178.671 176.117 -0.056 0.000 1.117 188 I CA 0.622 61.865 61.300 -0.094 0.000 1.404 188 I CB -0.976 36.970 38.000 -0.089 0.000 1.071 188 I HN 0.145 nan 8.210 nan 0.000 0.419 189 L N 0.888 122.089 121.223 -0.038 0.000 2.017 189 L HA -0.176 4.166 4.340 0.003 0.000 0.208 189 L C 2.445 179.418 176.870 0.172 0.000 1.073 189 L CA 2.073 56.903 54.840 -0.017 0.000 0.745 189 L CB -1.107 40.891 42.059 -0.102 0.000 0.894 189 L HN 0.136 nan 8.230 nan 0.000 0.432 190 T N -0.981 113.716 114.554 0.238 0.000 2.720 190 T HA -0.174 4.178 4.350 0.003 0.000 0.268 190 T C 1.992 176.910 174.700 0.363 0.000 1.037 190 T CA 1.662 63.982 62.100 0.367 0.000 1.144 190 T CB -0.420 68.616 68.868 0.281 0.000 0.864 190 T HN 0.217 nan 8.240 nan 0.000 0.444 191 V N 1.703 121.729 119.914 0.188 0.000 2.287 191 V HA -0.179 3.943 4.120 0.003 0.000 0.248 191 V C 2.582 178.802 176.094 0.209 0.000 1.053 191 V CA 1.413 63.831 62.300 0.197 0.000 1.027 191 V CB -0.523 31.136 31.823 -0.273 0.000 0.646 191 V HN 0.451 nan 8.190 nan 0.000 0.447 192 M N -1.392 118.260 119.600 0.087 0.000 2.213 192 M HA -0.098 4.384 4.480 0.003 0.000 0.263 192 M C 2.018 178.364 176.300 0.076 0.000 1.062 192 M CA 1.582 56.908 55.300 0.044 0.000 1.105 192 M CB -1.145 31.413 32.600 -0.070 0.000 1.385 192 M HN 0.318 nan 8.290 nan 0.000 0.417 193 F N 0.539 120.589 119.950 0.166 0.000 2.771 193 F HA -0.131 4.398 4.527 0.004 0.000 0.299 193 F C 2.239 178.174 175.800 0.225 0.000 1.177 193 F CA 1.020 59.148 58.000 0.213 0.000 1.450 193 F CB -0.277 38.814 39.000 0.152 0.000 1.114 193 F HN 0.228 nan 8.300 nan 0.000 0.587 194 E N -0.443 119.924 120.200 0.278 0.000 2.357 194 E HA 0.087 4.439 4.350 0.003 0.000 0.202 194 E C 1.935 178.560 176.600 0.042 0.000 0.855 194 E CA 0.533 56.956 56.400 0.040 0.000 1.048 194 E CB -0.458 29.071 29.700 -0.286 0.000 1.037 194 E HN 0.264 nan 8.360 nan 0.000 0.499 195 L N 0.466 121.769 121.223 0.132 0.000 2.083 195 L HA -0.099 4.243 4.340 0.003 0.000 0.209 195 L C 2.368 179.321 176.870 0.137 0.000 1.083 195 L CA 0.954 55.882 54.840 0.145 0.000 0.752 195 L CB -0.520 41.659 42.059 0.200 0.000 0.899 195 L HN 0.260 nan 8.230 nan 0.000 0.433 196 M N -0.508 119.187 119.600 0.159 0.000 2.132 196 M HA -0.076 4.406 4.480 0.003 0.000 0.263 196 M C -0.065 176.344 176.300 0.181 0.000 1.065 196 M CA 1.753 57.157 55.300 0.173 0.000 1.122 196 M CB -2.132 30.577 32.600 0.182 0.000 1.365 196 M HN 0.016 nan 8.290 nan 0.000 0.411 197 P HA -0.152 nan 4.420 nan 0.000 0.216 197 P C 1.489 178.859 177.300 0.118 0.000 1.150 197 P CA 1.250 64.502 63.100 0.253 0.000 0.837 197 P CB -0.188 31.501 31.700 -0.018 0.000 0.786 198 Q N -1.557 118.264 119.800 0.035 0.000 2.234 198 Q HA -0.074 4.268 4.340 0.003 0.000 0.206 198 Q C 1.560 177.571 176.000 0.019 0.000 0.980 198 Q CA 1.203 57.015 55.803 0.015 0.000 0.869 198 Q CB -0.372 28.377 28.738 0.020 0.000 0.912 198 Q HN 0.334 nan 8.270 nan 0.000 0.436 199 M N -0.169 119.426 119.600 -0.008 0.000 2.404 199 M HA 0.110 4.592 4.480 0.003 0.000 0.271 199 M C -0.102 175.991 176.300 -0.344 0.000 1.128 199 M CA -0.211 55.010 55.300 -0.131 0.000 0.982 199 M CB 0.523 33.062 32.600 -0.102 0.000 1.445 199 M HN 0.059 nan 8.290 nan 0.000 0.495 200 N N 1.337 119.966 118.700 -0.117 0.000 2.721 200 N HA -0.194 4.548 4.740 0.003 0.000 0.249 200 N C -1.243 174.189 175.510 -0.130 0.000 1.072 200 N CA 0.702 53.711 53.050 -0.067 0.000 0.710 200 N CB -0.892 37.548 38.487 -0.077 0.000 0.993 200 N HN 0.401 nan 8.380 nan 0.000 0.547 201 H N -0.254 118.861 119.070 0.074 0.000 2.533 201 H HA 0.481 5.038 4.556 0.003 0.000 0.343 201 H C -0.108 175.301 175.328 0.135 0.000 1.160 201 H CA -0.729 55.351 56.048 0.053 0.000 1.218 201 H CB 1.297 31.034 29.762 -0.041 0.000 1.566 201 H HN 0.176 nan 8.280 nan 0.000 0.522 202 L N 2.575 123.973 121.223 0.293 0.000 2.261 202 L HA 0.204 4.546 4.340 0.003 0.000 0.289 202 L C -0.184 176.863 176.870 0.296 0.000 1.059 202 L CA -0.363 54.681 54.840 0.339 0.000 0.816 202 L CB 0.018 42.267 42.059 0.318 0.000 1.191 202 L HN 0.597 nan 8.230 nan 0.000 0.431 203 C N 7.248 126.703 119.300 0.259 0.000 2.527 203 C HA 0.598 5.060 4.460 0.003 0.000 0.396 203 C C 0.103 175.144 174.990 0.084 0.000 1.289 203 C CA -0.651 58.322 59.018 -0.076 0.000 2.047 203 C CB -0.666 26.776 27.740 -0.496 0.000 2.568 203 C HN 0.875 nan 8.230 nan 0.000 0.573 204 M N 5.734 125.375 119.600 0.069 0.000 2.326 204 M HA 0.279 4.761 4.480 0.003 0.000 0.306 204 M C -0.221 176.275 176.300 0.327 0.000 1.054 204 M CA -0.200 55.334 55.300 0.390 0.000 0.922 204 M CB 1.686 34.441 32.600 0.259 0.000 1.632 204 M HN 0.736 nan 8.290 nan 0.000 0.436 205 H N 2.336 121.706 119.070 0.500 0.000 2.745 205 H HA 0.623 5.181 4.556 0.003 0.000 0.235 205 H C -1.306 174.152 175.328 0.217 0.000 1.815 205 H CA -0.350 55.936 56.048 0.396 0.000 1.321 205 H CB 0.083 30.189 29.762 0.573 0.000 1.716 205 H HN 0.786 nan 8.280 nan 0.000 0.546 206 A N 2.134 124.937 122.820 -0.028 0.000 2.572 206 A HA 0.448 4.770 4.320 0.003 0.000 0.295 206 A C -0.388 177.166 177.584 -0.051 0.000 1.072 206 A CA -0.643 51.255 52.037 -0.233 0.000 0.691 206 A CB 1.452 19.939 19.000 -0.856 0.000 1.291 206 A HN 0.547 nan 8.150 nan 0.000 0.404 207 S N 0.201 115.881 115.700 -0.033 0.000 2.707 207 S HA 0.915 5.387 4.470 0.003 0.000 0.276 207 S C 0.057 174.572 174.600 -0.141 0.000 1.179 207 S CA 0.041 58.236 58.200 -0.007 0.000 0.992 207 S CB 1.567 64.736 63.200 -0.051 0.000 1.030 207 S HN 2.420 nan 8.310 nan 0.000 0.554 208 A N 1.019 123.688 122.820 -0.252 0.000 2.604 208 A HA 0.746 5.068 4.320 0.003 0.000 0.295 208 A C -1.278 176.247 177.584 -0.098 0.000 1.067 208 A CA -0.946 50.934 52.037 -0.261 0.000 0.683 208 A CB 1.116 19.661 19.000 -0.758 0.000 1.281 208 A HN 1.234 nan 8.150 nan 0.000 0.407 209 N N -0.697 117.994 118.700 -0.015 0.000 2.825 209 N HA 0.679 5.421 4.740 0.003 0.000 0.253 209 N C -1.820 173.640 175.510 -0.083 0.000 1.426 209 N CA -0.541 52.493 53.050 -0.027 0.000 0.851 209 N CB 1.789 40.294 38.487 0.029 0.000 1.470 209 N HN 1.245 nan 8.380 nan 0.000 0.517 210 V N -0.671 119.184 119.914 -0.099 0.000 2.789 210 V HA 0.909 5.031 4.120 0.003 0.000 0.311 210 V C 0.427 176.441 176.094 -0.134 0.000 1.073 210 V CA -0.292 61.933 62.300 -0.125 0.000 0.921 210 V CB 1.348 33.106 31.823 -0.107 0.000 1.009 210 V HN 1.034 nan 8.190 nan 0.000 0.426 211 G N 2.593 111.295 108.800 -0.163 0.000 2.547 211 G HA2 0.329 4.291 3.960 0.003 0.000 0.291 211 G HA3 0.329 4.291 3.960 0.003 0.000 0.291 211 G C 0.656 175.501 174.900 -0.093 0.000 1.211 211 G CA 0.237 45.246 45.100 -0.152 0.000 0.950 211 G HN 0.964 nan 8.290 nan 0.000 0.504 212 K N -0.754 119.601 120.400 -0.076 0.000 2.103 212 K HA -0.098 4.224 4.320 0.003 0.000 0.207 212 K C 2.306 178.877 176.600 -0.049 0.000 1.048 212 K CA 2.019 58.272 56.287 -0.056 0.000 0.930 212 K CB -0.403 32.064 32.500 -0.056 0.000 0.716 212 K HN 0.556 nan 8.250 nan 0.000 0.444 213 Q N -1.241 118.529 119.800 -0.050 0.000 2.444 213 Q HA 0.197 4.539 4.340 0.003 0.000 0.206 213 Q C 1.480 177.458 176.000 -0.036 0.000 0.948 213 Q CA 0.884 56.665 55.803 -0.036 0.000 0.946 213 Q CB 0.342 29.064 28.738 -0.027 0.000 1.027 213 Q HN 0.745 nan 8.270 nan 0.000 0.513 214 G N 2.086 110.855 108.800 -0.051 0.000 2.157 214 G HA2 -0.221 3.741 3.960 0.003 0.000 0.248 214 G HA3 -0.221 3.741 3.960 0.003 0.000 0.248 214 G C -0.259 174.603 174.900 -0.063 0.000 0.979 214 G CA 0.210 45.278 45.100 -0.054 0.000 0.650 214 G HN 0.492 nan 8.290 nan 0.000 0.529 215 D N 0.757 121.116 120.400 -0.067 0.000 2.348 215 D HA 0.393 5.035 4.640 0.003 0.000 0.253 215 D C 0.359 176.593 176.300 -0.110 0.000 1.161 215 D CA -0.343 53.618 54.000 -0.066 0.000 0.876 215 D CB 2.071 42.847 40.800 -0.040 0.000 1.160 215 D HN 0.133 nan 8.370 nan 0.000 0.459 216 V N 2.833 122.672 119.914 -0.125 0.000 2.481 216 V HA 0.355 4.477 4.120 0.003 0.000 0.286 216 V C 0.587 176.568 176.094 -0.189 0.000 1.042 216 V CA -0.313 61.880 62.300 -0.178 0.000 0.928 216 V CB 1.627 33.304 31.823 -0.243 0.000 0.986 216 V HN 0.678 nan 8.190 nan 0.000 0.462 217 T N 3.819 118.251 114.554 -0.203 0.000 2.876 217 T HA 0.654 5.006 4.350 0.003 0.000 0.289 217 T C -0.550 173.896 174.700 -0.424 0.000 1.014 217 T CA -0.464 61.462 62.100 -0.290 0.000 0.986 217 T CB 1.772 70.513 68.868 -0.211 0.000 1.021 217 T HN 0.700 nan 8.240 nan 0.000 0.458 218 V N 0.156 119.757 119.914 -0.523 0.000 2.769 218 V HA 0.860 4.982 4.120 0.003 0.000 0.312 218 V C -1.500 174.284 176.094 -0.517 0.000 1.061 218 V CA -1.139 60.895 62.300 -0.444 0.000 0.931 218 V CB 1.423 33.002 31.823 -0.407 0.000 1.010 218 V HN 0.736 nan 8.190 nan 0.000 0.433 219 F N 3.098 122.923 119.950 -0.208 0.000 2.500 219 F HA 0.680 5.209 4.527 0.003 0.000 0.349 219 F C -0.337 175.393 175.800 -0.117 0.000 1.127 219 F CA -0.858 57.091 58.000 -0.085 0.000 0.998 219 F CB 1.195 40.144 39.000 -0.084 0.000 1.237 219 F HN 0.387 nan 8.300 nan 0.000 0.439 220 F N 1.640 121.717 119.950 0.212 0.000 2.399 220 F HA 0.698 5.227 4.527 0.003 0.000 0.342 220 F C 0.848 176.596 175.800 -0.088 0.000 1.106 220 F CA -0.113 57.983 58.000 0.160 0.000 1.196 220 F CB 1.329 40.519 39.000 0.317 0.000 1.163 220 F HN 0.608 nan 8.300 nan 0.000 0.547 221 G N 2.346 111.258 108.800 0.188 0.000 2.340 221 G HA2 0.353 4.315 3.960 0.003 0.000 0.298 221 G HA3 0.353 4.315 3.960 0.003 0.000 0.298 221 G C -1.746 173.239 174.900 0.142 0.000 1.498 221 G CA -1.133 44.038 45.100 0.118 0.000 0.847 221 G HN 0.569 nan 8.290 nan 0.000 0.594 222 L N 0.447 121.818 121.223 0.247 0.000 2.468 222 L HA 0.578 4.920 4.340 0.003 0.000 0.254 222 L C 1.510 178.476 176.870 0.160 0.000 1.171 222 L CA -0.621 54.395 54.840 0.293 0.000 0.809 222 L CB 1.357 43.579 42.059 0.272 0.000 1.155 222 L HN 0.609 nan 8.230 nan 0.000 0.473 223 S N -0.012 115.818 115.700 0.216 0.000 2.568 223 S HA 0.271 4.743 4.470 0.003 0.000 0.282 223 S C 0.911 175.558 174.600 0.078 0.000 1.338 223 S CA 0.346 58.624 58.200 0.129 0.000 1.045 223 S CB 0.344 63.648 63.200 0.172 0.000 0.873 223 S HN 0.966 nan 8.310 nan 0.000 0.516 224 G N 2.397 111.217 108.800 0.033 0.000 2.160 224 G HA2 -0.245 3.717 3.960 0.003 0.000 0.251 224 G HA3 -0.245 3.717 3.960 0.003 0.000 0.251 224 G C 0.467 175.374 174.900 0.012 0.000 1.008 224 G CA 0.949 46.058 45.100 0.016 0.000 0.724 224 G HN 1.459 nan 8.290 nan 0.000 0.514 225 T N -3.827 110.733 114.554 0.009 0.000 3.145 225 T HA 0.539 4.891 4.350 0.003 0.000 0.281 225 T C 1.790 176.478 174.700 -0.020 0.000 1.003 225 T CA 1.285 63.389 62.100 0.007 0.000 0.901 225 T CB 0.864 69.755 68.868 0.038 0.000 1.112 225 T HN 2.056 nan 8.240 nan 0.000 0.535 226 G N 1.663 110.434 108.800 -0.048 0.000 2.192 226 G HA2 -0.228 3.734 3.960 0.003 0.000 0.193 226 G HA3 -0.228 3.734 3.960 0.003 0.000 0.193 226 G C 0.902 175.713 174.900 -0.148 0.000 0.999 226 G CA 0.159 45.206 45.100 -0.090 0.000 0.659 226 G HN 0.446 nan 8.290 nan 0.000 0.503 227 K N 0.026 120.354 120.400 -0.121 0.000 2.032 227 K HA -0.082 4.240 4.320 0.003 0.000 0.209 227 K C 2.534 178.999 176.600 -0.226 0.000 1.048 227 K CA 1.960 58.145 56.287 -0.171 0.000 0.927 227 K CB -0.273 32.163 32.500 -0.105 0.000 0.712 227 K HN 0.393 nan 8.250 nan 0.000 0.441 228 T N 0.410 114.878 114.554 -0.145 0.000 2.770 228 T HA -0.085 4.267 4.350 0.003 0.000 0.263 228 T C 1.969 176.581 174.700 -0.148 0.000 1.039 228 T CA 1.613 63.644 62.100 -0.115 0.000 1.142 228 T CB -0.328 68.509 68.868 -0.052 0.000 0.868 228 T HN 0.250 nan 8.240 nan 0.000 0.435 229 T N 2.891 117.357 114.554 -0.147 0.000 2.652 229 T HA -0.009 4.343 4.350 0.003 0.000 0.267 229 T C 1.965 176.535 174.700 -0.217 0.000 1.039 229 T CA 1.090 63.099 62.100 -0.152 0.000 1.153 229 T CB -0.537 68.253 68.868 -0.130 0.000 0.863 229 T HN 0.247 nan 8.240 nan 0.000 0.428 230 L N 1.545 122.580 121.223 -0.313 0.000 2.217 230 L HA -0.024 4.318 4.340 0.003 0.000 0.211 230 L C 2.766 179.252 176.870 -0.641 0.000 1.107 230 L CA 1.126 55.704 54.840 -0.436 0.000 0.783 230 L CB -0.686 41.085 42.059 -0.480 0.000 0.919 230 L HN 0.369 nan 8.230 nan 0.000 0.442 231 S N -0.040 115.247 115.700 -0.688 0.000 2.470 231 S HA 0.107 4.579 4.470 0.003 0.000 0.225 231 S C 1.256 175.723 174.600 -0.221 0.000 1.006 231 S CA 0.193 58.071 58.200 -0.536 0.000 0.934 231 S CB -0.189 62.770 63.200 -0.402 0.000 0.778 231 S HN 0.227 nan 8.310 nan 0.000 0.517 232 A N 2.306 125.014 122.820 -0.186 0.000 2.805 232 A HA 0.401 4.723 4.320 0.003 0.000 0.301 232 A C -0.207 177.310 177.584 -0.112 0.000 1.557 232 A CA -0.407 51.565 52.037 -0.108 0.000 1.254 232 A CB -0.306 18.644 19.000 -0.084 0.000 1.114 232 A HN 0.353 nan 8.150 nan 0.000 0.553 233 D N 3.167 123.514 120.400 -0.090 0.000 2.308 233 D HA 0.379 5.021 4.640 0.003 0.000 0.242 233 D C -1.935 174.315 176.300 -0.083 0.000 1.059 233 D CA -1.757 52.189 54.000 -0.089 0.000 0.830 233 D CB 2.125 42.901 40.800 -0.041 0.000 1.161 233 D HN 0.116 nan 8.370 nan 0.000 0.494 234 P HA -0.066 nan 4.420 nan 0.000 0.219 234 P C 0.393 177.717 177.300 0.040 0.000 1.146 234 P CA 1.237 64.277 63.100 -0.101 0.000 0.808 234 P CB 0.159 31.736 31.700 -0.206 0.000 0.779 235 H N -2.509 116.538 119.070 -0.038 0.000 2.551 235 H HA 0.280 4.838 4.556 0.003 0.000 0.271 235 H C 0.471 175.759 175.328 -0.067 0.000 0.984 235 H CA -0.341 55.680 56.048 -0.045 0.000 1.164 235 H CB 0.446 30.186 29.762 -0.036 0.000 1.437 235 H HN 0.002 nan 8.280 nan 0.000 0.550 236 R N 0.832 121.352 120.500 0.035 0.000 2.795 236 R HA 0.250 4.592 4.340 0.003 0.000 0.275 236 R C -0.861 175.420 176.300 -0.031 0.000 0.981 236 R CA -1.010 55.071 56.100 -0.033 0.000 0.917 236 R CB 1.419 31.665 30.300 -0.091 0.000 1.202 236 R HN 0.080 nan 8.270 nan 0.000 0.469 237 N N 1.944 120.618 118.700 -0.042 0.000 2.458 237 N HA 0.092 4.834 4.740 0.003 0.000 0.270 237 N C -0.594 174.894 175.510 -0.037 0.000 1.102 237 N CA -0.399 52.630 53.050 -0.034 0.000 0.967 237 N CB 1.033 39.498 38.487 -0.037 0.000 1.078 237 N HN 0.296 nan 8.380 nan 0.000 0.471 238 L N 2.920 124.128 121.223 -0.025 0.000 2.416 238 L HA 0.203 4.545 4.340 0.003 0.000 0.272 238 L C 0.857 177.717 176.870 -0.018 0.000 1.161 238 L CA 0.514 55.343 54.840 -0.018 0.000 0.845 238 L CB 0.361 42.419 42.059 -0.001 0.000 1.119 238 L HN 0.576 nan 8.230 nan 0.000 0.464 239 I N 2.764 123.326 120.570 -0.012 0.000 2.947 239 I HA 0.386 4.558 4.170 0.003 0.000 0.263 239 I C 0.980 177.169 176.117 0.119 0.000 1.130 239 I CA 0.494 61.799 61.300 0.008 0.000 1.448 239 I CB 0.132 38.116 38.000 -0.027 0.000 1.222 239 I HN 0.740 nan 8.210 nan 0.000 0.453 240 G N 0.432 109.358 108.800 0.210 0.000 2.601 240 G HA2 0.224 4.186 3.960 0.003 0.000 0.291 240 G HA3 0.224 4.186 3.960 0.003 0.000 0.291 240 G C -1.215 173.817 174.900 0.220 0.000 1.456 240 G CA -0.094 45.163 45.100 0.262 0.000 0.804 240 G HN 0.143 nan 8.290 nan 0.000 0.499 241 D N -1.247 119.223 120.400 0.116 0.000 2.431 241 D HA 0.187 4.829 4.640 0.003 0.000 0.213 241 D C 0.375 176.696 176.300 0.035 0.000 1.130 241 D CA 0.309 54.332 54.000 0.039 0.000 0.834 241 D CB 1.305 42.100 40.800 -0.009 0.000 0.985 241 D HN 0.352 nan 8.370 nan 0.000 0.504 242 D N -0.369 120.084 120.400 0.087 0.000 1.927 242 D HA 0.050 4.692 4.640 0.003 0.000 0.390 242 D C -0.758 175.593 176.300 0.086 0.000 1.045 242 D CA 0.272 54.297 54.000 0.042 0.000 0.947 242 D CB 0.671 41.490 40.800 0.031 0.000 1.818 242 D HN 0.112 nan 8.370 nan 0.000 0.543 243 E N -0.159 120.040 120.200 -0.001 0.000 2.260 243 E HA 0.515 4.867 4.350 0.003 0.000 0.266 243 E C -1.280 175.100 176.600 -0.365 0.000 0.887 243 E CA -0.598 55.765 56.400 -0.062 0.000 0.777 243 E CB 1.996 31.641 29.700 -0.093 0.000 1.205 243 E HN 0.172 nan 8.360 nan 0.000 0.414 244 H N -0.355 118.619 119.070 -0.160 0.000 2.946 244 H HA 0.591 5.149 4.556 0.003 0.000 0.365 244 H C -1.036 174.073 175.328 -0.365 0.000 1.197 244 H CA -0.830 55.058 56.048 -0.267 0.000 1.131 244 H CB 1.759 31.381 29.762 -0.234 0.000 1.849 244 H HN 0.172 nan 8.280 nan 0.000 0.555 245 V N 1.085 120.674 119.914 -0.542 0.000 2.656 245 V HA 0.134 4.256 4.120 0.003 0.000 0.307 245 V C -1.132 174.803 176.094 -0.265 0.000 1.051 245 V CA -0.840 61.142 62.300 -0.530 0.000 0.893 245 V CB 2.015 33.204 31.823 -1.056 0.000 0.999 245 V HN 0.664 nan 8.190 nan 0.000 0.426 246 W N 5.618 126.829 121.300 -0.149 0.000 2.283 246 W HA 0.587 5.248 4.660 0.003 0.000 0.317 246 W C 0.470 177.000 176.519 0.019 0.000 1.042 246 W CA -0.559 56.769 57.345 -0.029 0.000 1.348 246 W CB 1.139 30.648 29.460 0.081 0.000 1.216 246 W HN 0.829 nan 8.180 nan 0.000 0.404 247 T N 0.858 115.623 114.554 0.352 0.000 2.893 247 T HA 0.212 4.564 4.350 0.003 0.000 0.281 247 T C 1.099 176.040 174.700 0.401 0.000 1.027 247 T CA 0.091 62.247 62.100 0.094 0.000 0.953 247 T CB 1.022 69.784 68.868 -0.176 0.000 1.434 247 T HN 0.421 nan 8.240 nan 0.000 0.597 248 D N -0.448 120.175 120.400 0.372 0.000 2.312 248 D HA -0.077 4.565 4.640 0.003 0.000 0.211 248 D C 1.639 178.238 176.300 0.498 0.000 0.964 248 D CA 0.516 54.785 54.000 0.448 0.000 0.877 248 D CB -0.082 40.943 40.800 0.373 0.000 0.924 248 D HN 0.543 nan 8.370 nan 0.000 0.515 249 R N -0.162 120.523 120.500 0.308 0.000 2.282 249 R HA 0.382 4.724 4.340 0.003 0.000 0.195 249 R C 1.180 177.292 176.300 -0.313 0.000 0.909 249 R CA 0.499 56.671 56.100 0.121 0.000 1.039 249 R CB 1.132 31.494 30.300 0.103 0.000 1.015 249 R HN 0.297 nan 8.270 nan 0.000 0.513 250 G N 0.428 109.014 108.800 -0.356 0.000 2.295 250 G HA2 -0.028 3.934 3.960 0.003 0.000 0.155 250 G HA3 -0.028 3.934 3.960 0.003 0.000 0.155 250 G C -1.285 173.498 174.900 -0.195 0.000 1.307 250 G CA -0.315 44.413 45.100 -0.618 0.000 1.140 250 G HN 0.120 nan 8.290 nan 0.000 0.470 251 V N -1.276 118.507 119.914 -0.220 0.000 2.960 251 V HA 0.987 5.108 4.120 0.003 0.000 0.315 251 V C -0.524 175.611 176.094 0.068 0.000 1.087 251 V CA -0.551 61.667 62.300 -0.136 0.000 0.982 251 V CB 1.447 33.102 31.823 -0.279 0.000 1.039 251 V HN 2.011 nan 8.190 nan 0.000 0.437 252 F N 0.640 120.616 119.950 0.044 0.000 2.591 252 F HA 0.704 5.234 4.527 0.004 0.000 0.309 252 F C -0.908 174.929 175.800 0.062 0.000 1.098 252 F CA -1.220 56.816 58.000 0.061 0.000 0.937 252 F CB 1.435 40.477 39.000 0.070 0.000 1.250 252 F HN 0.625 nan 8.300 nan 0.000 0.447 253 N N 2.659 121.504 118.700 0.243 0.000 2.530 253 N HA 0.297 5.039 4.740 0.003 0.000 0.273 253 N C 0.631 176.268 175.510 0.211 0.000 1.173 253 N CA -0.249 52.704 53.050 -0.162 0.000 0.967 253 N CB 1.074 39.454 38.487 -0.178 0.000 1.109 253 N HN 0.882 nan 8.380 nan 0.000 0.453 254 I N 1.216 121.760 120.570 -0.043 0.000 2.716 254 I HA -0.045 4.127 4.170 0.003 0.000 0.259 254 I C 0.632 176.783 176.117 0.058 0.000 1.172 254 I CA 0.694 62.057 61.300 0.105 0.000 1.478 254 I CB 0.080 38.061 38.000 -0.031 0.000 1.104 254 I HN 0.522 nan 8.210 nan 0.000 0.439 255 E N -0.198 119.997 120.200 -0.008 0.000 2.254 255 E HA 0.402 4.754 4.350 0.003 0.000 0.258 255 E C 0.424 177.072 176.600 0.080 0.000 1.033 255 E CA -0.277 56.107 56.400 -0.025 0.000 0.893 255 E CB 0.958 30.595 29.700 -0.105 0.000 1.204 255 E HN 0.102 nan 8.360 nan 0.000 0.425 256 G N -0.310 108.486 108.800 -0.007 0.000 3.596 256 G HA2 0.461 4.423 3.960 0.003 0.000 0.274 256 G HA3 0.461 4.423 3.960 0.003 0.000 0.274 256 G C 0.081 174.954 174.900 -0.045 0.000 1.007 256 G CA 0.340 45.466 45.100 0.044 0.000 0.825 256 G HN 0.554 nan 8.290 nan 0.000 0.508 257 G N -1.249 107.480 108.800 -0.119 0.000 2.619 257 G HA2 0.449 4.411 3.960 0.003 0.000 0.305 257 G HA3 0.449 4.411 3.960 0.003 0.000 0.305 257 G C -1.723 173.026 174.900 -0.252 0.000 1.330 257 G CA -0.415 44.566 45.100 -0.199 0.000 0.789 257 G HN 0.344 nan 8.290 nan 0.000 0.487 258 C N -0.611 118.422 119.300 -0.444 0.000 2.431 258 C HA 0.564 5.026 4.460 0.003 0.000 0.321 258 C C -1.068 173.641 174.990 -0.469 0.000 1.202 258 C CA -0.740 58.002 59.018 -0.459 0.000 1.398 258 C CB 0.705 28.127 27.740 -0.529 0.000 2.047 258 C HN 0.614 nan 8.230 nan 0.000 0.465 259 Y N 2.951 123.065 120.300 -0.310 0.000 2.958 259 Y HA 0.589 5.141 4.550 0.003 0.000 0.336 259 Y C 0.345 176.206 175.900 -0.066 0.000 1.160 259 Y CA -0.894 57.126 58.100 -0.133 0.000 1.292 259 Y CB -0.129 38.344 38.460 0.023 0.000 1.306 259 Y HN 0.845 nan 8.280 nan 0.000 0.547 260 A N 4.890 127.660 122.820 -0.083 0.000 2.327 260 A HA 0.397 4.719 4.320 0.003 0.000 0.283 260 A C -0.033 177.500 177.584 -0.086 0.000 1.127 260 A CA -0.798 51.203 52.037 -0.060 0.000 0.810 260 A CB 0.421 19.450 19.000 0.048 0.000 1.066 260 A HN 0.498 nan 8.150 nan 0.000 0.492 261 K N 1.342 121.695 120.400 -0.078 0.000 2.451 261 K HA 0.188 4.510 4.320 0.003 0.000 0.280 261 K C 0.968 177.561 176.600 -0.010 0.000 1.020 261 K CA 0.644 56.894 56.287 -0.061 0.000 1.008 261 K CB 1.155 33.631 32.500 -0.040 0.000 0.917 261 K HN 0.740 nan 8.250 nan 0.000 0.478 262 A N 4.038 126.878 122.820 0.034 0.000 2.195 262 A HA 0.005 4.327 4.320 0.003 0.000 0.210 262 A C 0.794 178.441 177.584 0.105 0.000 1.165 262 A CA -0.144 51.969 52.037 0.128 0.000 0.806 262 A CB -0.036 19.129 19.000 0.275 0.000 0.847 262 A HN 0.670 nan 8.150 nan 0.000 0.482 263 I N 1.165 121.749 120.570 0.024 0.000 2.845 263 I HA 0.308 4.480 4.170 0.003 0.000 0.290 263 I C 1.347 177.373 176.117 -0.151 0.000 1.202 263 I CA 1.222 62.498 61.300 -0.039 0.000 1.406 263 I CB -0.411 37.578 38.000 -0.018 0.000 1.383 263 I HN 0.614 nan 8.210 nan 0.000 0.549 264 G N 5.745 114.312 108.800 -0.389 0.000 2.179 264 G HA2 -0.253 3.709 3.960 0.003 0.000 0.260 264 G HA3 -0.253 3.709 3.960 0.003 0.000 0.260 264 G C 0.404 175.055 174.900 -0.416 0.000 0.977 264 G CA 0.189 44.928 45.100 -0.602 0.000 0.641 264 G HN 0.655 nan 8.290 nan 0.000 0.533 265 L N 0.960 121.936 121.223 -0.411 0.000 2.490 265 L HA 0.373 4.715 4.340 0.003 0.000 0.274 265 L C 0.627 177.248 176.870 -0.416 0.000 1.201 265 L CA 0.706 55.250 54.840 -0.492 0.000 0.869 265 L CB 0.369 41.911 42.059 -0.861 0.000 1.123 265 L HN 0.694 nan 8.230 nan 0.000 0.484 266 N N 2.383 120.929 118.700 -0.257 0.000 2.598 266 N HA 0.335 5.077 4.740 0.003 0.000 0.263 266 N C -2.527 172.685 175.510 -0.496 0.000 1.254 266 N CA -1.353 51.484 53.050 -0.356 0.000 0.863 266 N CB 1.539 39.950 38.487 -0.127 0.000 1.586 266 N HN 0.079 nan 8.380 nan 0.000 0.491 267 P HA -0.118 nan 4.420 nan 0.000 0.226 267 P C 0.970 178.114 177.300 -0.261 0.000 1.153 267 P CA 1.401 64.175 63.100 -0.543 0.000 0.777 267 P CB 0.046 31.379 31.700 -0.612 0.000 0.794 268 K N 0.767 121.036 120.400 -0.218 0.000 1.980 268 K HA -0.070 4.252 4.320 0.003 0.000 0.208 268 K C 2.134 178.668 176.600 -0.109 0.000 1.043 268 K CA 2.377 58.585 56.287 -0.132 0.000 0.938 268 K CB -2.157 30.284 32.500 -0.099 0.000 0.724 268 K HN 0.411 nan 8.250 nan 0.000 0.438 269 T N -2.069 112.422 114.554 -0.104 0.000 3.037 269 T HA 0.191 4.543 4.350 0.003 0.000 0.251 269 T C 0.566 175.207 174.700 -0.098 0.000 1.079 269 T CA 0.711 62.756 62.100 -0.091 0.000 1.067 269 T CB 0.291 69.114 68.868 -0.075 0.000 0.948 269 T HN 0.512 nan 8.240 nan 0.000 0.496 270 E N 0.474 120.608 120.200 -0.109 0.000 3.935 270 E HA 0.284 4.636 4.350 0.003 0.000 0.226 270 E C 0.794 177.348 176.600 -0.075 0.000 1.220 270 E CA -0.280 56.063 56.400 -0.096 0.000 1.226 270 E CB 1.014 30.654 29.700 -0.099 0.000 1.237 270 E HN 0.273 nan 8.360 nan 0.000 0.417 271 K N 1.118 121.471 120.400 -0.078 0.000 2.032 271 K HA -0.211 4.111 4.320 0.003 0.000 0.209 271 K C 1.051 177.646 176.600 -0.010 0.000 1.048 271 K CA 1.695 57.955 56.287 -0.046 0.000 0.927 271 K CB 0.216 32.680 32.500 -0.060 0.000 0.712 271 K HN 0.217 nan 8.250 nan 0.000 0.441 272 D N 0.718 121.091 120.400 -0.045 0.000 2.104 272 D HA -0.180 4.462 4.640 0.003 0.000 0.194 272 D C 2.058 178.294 176.300 -0.106 0.000 0.994 272 D CA 1.499 55.461 54.000 -0.063 0.000 0.830 272 D CB -0.146 40.617 40.800 -0.062 0.000 0.959 272 D HN 0.329 nan 8.370 nan 0.000 0.452 273 I N 0.062 120.574 120.570 -0.097 0.000 2.202 273 I HA -0.279 3.893 4.170 0.003 0.000 0.242 273 I C 2.497 178.501 176.117 -0.188 0.000 1.091 273 I CA 0.793 62.005 61.300 -0.147 0.000 1.368 273 I CB -0.347 37.624 38.000 -0.048 0.000 1.058 273 I HN -0.020 nan 8.210 nan 0.000 0.410 274 Y N 2.175 122.333 120.300 -0.237 0.000 2.165 274 Y HA -0.332 4.220 4.550 0.003 0.000 0.286 274 Y C 2.070 177.869 175.900 -0.168 0.000 1.155 274 Y CA 1.907 59.851 58.100 -0.261 0.000 1.164 274 Y CB -0.328 37.972 38.460 -0.265 0.000 0.978 274 Y HN 0.201 nan 8.280 nan 0.000 0.513 275 D N -0.023 120.376 120.400 -0.002 0.000 2.310 275 D HA -0.088 4.554 4.640 0.003 0.000 0.212 275 D C 2.033 178.222 176.300 -0.184 0.000 0.965 275 D CA 1.117 55.083 54.000 -0.057 0.000 0.879 275 D CB -0.360 40.437 40.800 -0.004 0.000 0.921 275 D HN 0.506 nan 8.370 nan 0.000 0.510 276 A N 0.121 122.763 122.820 -0.296 0.000 2.167 276 A HA 0.015 4.337 4.320 0.003 0.000 0.214 276 A C 1.196 178.684 177.584 -0.160 0.000 1.151 276 A CA 0.133 51.956 52.037 -0.357 0.000 0.735 276 A CB 0.137 18.537 19.000 -1.000 0.000 0.802 276 A HN 0.075 nan 8.150 nan 0.000 0.467 277 V N 2.905 122.712 119.914 -0.178 0.000 2.149 277 V HA 0.259 4.381 4.120 0.003 0.000 0.245 277 V C 0.589 176.675 176.094 -0.012 0.000 1.349 277 V CA 0.047 62.335 62.300 -0.019 0.000 1.289 277 V CB -1.626 30.197 31.823 -0.001 0.000 1.401 277 V HN 0.721 nan 8.190 nan 0.000 0.501 278 R N 1.873 122.414 120.500 0.069 0.000 3.041 278 R HA 0.554 4.896 4.340 0.003 0.000 0.254 278 R C -0.422 175.980 176.300 0.170 0.000 1.244 278 R CA -1.048 55.098 56.100 0.077 0.000 1.023 278 R CB 0.746 31.047 30.300 0.002 0.000 1.332 278 R HN 0.122 nan 8.270 nan 0.000 0.463 279 F N 1.072 121.048 119.950 0.043 0.000 2.623 279 F HA 0.208 4.737 4.527 0.003 0.000 0.383 279 F C 1.259 177.157 175.800 0.165 0.000 1.077 279 F CA 2.329 60.370 58.000 0.069 0.000 1.268 279 F CB 0.470 39.486 39.000 0.028 0.000 1.053 279 F HN 0.881 nan 8.300 nan 0.000 0.571 280 G N 3.099 111.504 108.800 -0.658 0.000 2.259 280 G HA2 -0.057 3.905 3.960 0.003 0.000 0.217 280 G HA3 -0.057 3.905 3.960 0.003 0.000 0.217 280 G C 0.056 174.852 174.900 -0.173 0.000 1.001 280 G CA -0.062 44.804 45.100 -0.390 0.000 0.627 280 G HN 1.298 nan 8.290 nan 0.000 0.501 281 A N -0.404 122.400 122.820 -0.026 0.000 2.256 281 A HA 0.890 5.212 4.320 0.003 0.000 0.318 281 A C -0.046 177.559 177.584 0.036 0.000 1.103 281 A CA 0.075 52.130 52.037 0.032 0.000 0.860 281 A CB 1.725 20.829 19.000 0.172 0.000 1.182 281 A HN 1.163 nan 8.150 nan 0.000 0.501 282 V N -0.201 119.772 119.914 0.098 0.000 2.680 282 V HA 0.708 4.830 4.120 0.003 0.000 0.309 282 V C 0.171 176.343 176.094 0.131 0.000 1.052 282 V CA -0.219 62.152 62.300 0.118 0.000 0.908 282 V CB 1.669 33.632 31.823 0.233 0.000 1.001 282 V HN 1.258 nan 8.190 nan 0.000 0.431 283 A N 3.017 125.868 122.820 0.053 0.000 2.319 283 A HA 0.746 5.068 4.320 0.003 0.000 0.310 283 A C -0.552 177.013 177.584 -0.032 0.000 1.152 283 A CA -0.507 51.550 52.037 0.033 0.000 0.783 283 A CB 0.967 19.951 19.000 -0.026 0.000 1.184 283 A HN 0.825 nan 8.150 nan 0.000 0.474 284 E N 2.584 122.794 120.200 0.017 0.000 2.145 284 E HA 0.322 4.673 4.350 0.003 0.000 0.270 284 E C -0.454 176.130 176.600 -0.026 0.000 0.906 284 E CA -0.547 55.837 56.400 -0.028 0.000 0.761 284 E CB 0.369 30.141 29.700 0.120 0.000 1.116 284 E HN 0.700 nan 8.360 nan 0.000 0.408 285 N N 1.752 120.395 118.700 -0.094 0.000 2.741 285 N HA -0.172 4.570 4.740 0.003 0.000 0.251 285 N C -0.901 174.566 175.510 -0.072 0.000 1.112 285 N CA 0.718 53.721 53.050 -0.080 0.000 0.750 285 N CB -2.009 36.469 38.487 -0.015 0.000 1.119 285 N HN 0.329 nan 8.380 nan 0.000 0.561 286 C N 0.423 119.666 119.300 -0.094 0.000 2.398 286 C HA 0.608 5.070 4.460 0.003 0.000 0.364 286 C C 1.161 176.077 174.990 -0.124 0.000 1.219 286 C CA -0.684 58.265 59.018 -0.115 0.000 2.312 286 C CB 1.691 29.333 27.740 -0.163 0.000 2.428 286 C HN 0.110 nan 8.230 nan 0.000 0.564 287 V N 3.901 123.743 119.914 -0.120 0.000 2.435 287 V HA 0.400 4.522 4.120 0.003 0.000 0.290 287 V C 0.020 176.043 176.094 -0.120 0.000 1.030 287 V CA -0.316 61.925 62.300 -0.097 0.000 0.881 287 V CB 1.319 33.106 31.823 -0.060 0.000 0.983 287 V HN 0.636 nan 8.190 nan 0.000 0.445 288 L N 3.145 124.308 121.223 -0.099 0.000 2.357 288 L HA 0.448 4.789 4.340 0.003 0.000 0.273 288 L C 0.399 177.235 176.870 -0.057 0.000 1.080 288 L CA -0.487 54.296 54.840 -0.096 0.000 0.803 288 L CB 0.993 43.005 42.059 -0.079 0.000 1.174 288 L HN 0.595 nan 8.230 nan 0.000 0.443 289 D N 2.674 123.047 120.400 -0.045 0.000 2.358 289 D HA -0.017 4.625 4.640 0.003 0.000 0.258 289 D C 0.824 177.116 176.300 -0.013 0.000 1.223 289 D CA -0.166 53.825 54.000 -0.016 0.000 0.886 289 D CB 1.141 41.943 40.800 0.004 0.000 1.120 289 D HN 0.372 nan 8.370 nan 0.000 0.482 290 K N 3.797 124.192 120.400 -0.010 0.000 2.077 290 K HA -0.231 4.091 4.320 0.003 0.000 0.213 290 K C 1.854 178.452 176.600 -0.004 0.000 1.051 290 K CA 1.515 57.797 56.287 -0.008 0.000 0.929 290 K CB -0.243 32.255 32.500 -0.005 0.000 0.715 290 K HN 0.632 nan 8.250 nan 0.000 0.451 291 R N 0.310 120.810 120.500 0.000 0.000 2.246 291 R HA 0.020 4.362 4.340 0.003 0.000 0.199 291 R C 1.932 178.236 176.300 0.006 0.000 0.984 291 R CA 1.384 57.486 56.100 0.003 0.000 1.015 291 R CB -0.275 30.028 30.300 0.004 0.000 0.930 291 R HN 0.213 nan 8.270 nan 0.000 0.475 292 T N -4.009 110.550 114.554 0.009 0.000 3.034 292 T HA 0.273 4.625 4.350 0.003 0.000 0.248 292 T C 1.637 176.343 174.700 0.010 0.000 1.040 292 T CA 0.588 62.698 62.100 0.016 0.000 1.107 292 T CB 0.391 69.277 68.868 0.030 0.000 0.932 292 T HN 0.411 nan 8.240 nan 0.000 0.474 293 G N 1.079 109.878 108.800 -0.002 0.000 2.205 293 G HA2 -0.250 3.712 3.960 0.003 0.000 0.261 293 G HA3 -0.250 3.712 3.960 0.003 0.000 0.261 293 G C -0.057 174.831 174.900 -0.019 0.000 0.980 293 G CA 0.409 45.502 45.100 -0.011 0.000 0.632 293 G HN 0.885 nan 8.290 nan 0.000 0.533 294 E N 0.539 120.735 120.200 -0.007 0.000 2.319 294 E HA 0.613 4.965 4.350 0.003 0.000 0.268 294 E C 0.971 177.513 176.600 -0.097 0.000 1.050 294 E CA -0.896 55.496 56.400 -0.013 0.000 0.878 294 E CB 0.328 30.071 29.700 0.072 0.000 1.066 294 E HN 0.339 nan 8.360 nan 0.000 0.406 295 I N 2.581 123.006 120.570 -0.241 0.000 2.710 295 I HA -0.041 4.131 4.170 0.003 0.000 0.286 295 I C 0.378 176.226 176.117 -0.448 0.000 1.181 295 I CA 0.470 61.478 61.300 -0.487 0.000 1.430 295 I CB 0.379 37.757 38.000 -1.037 0.000 1.367 295 I HN 0.483 nan 8.210 nan 0.000 0.577 296 D N 6.575 126.803 120.400 -0.286 0.000 2.500 296 D HA 0.116 4.758 4.640 0.003 0.000 0.219 296 D C 0.668 176.901 176.300 -0.112 0.000 1.137 296 D CA -0.330 53.624 54.000 -0.077 0.000 0.946 296 D CB 0.219 41.020 40.800 0.002 0.000 1.022 296 D HN 0.263 nan 8.370 nan 0.000 0.518 297 F N 1.623 121.583 119.950 0.018 0.000 2.529 297 F HA -0.122 4.407 4.527 0.003 0.000 0.297 297 F C 1.041 176.660 175.800 -0.302 0.000 1.114 297 F CA 0.752 58.664 58.000 -0.147 0.000 1.467 297 F CB -0.332 38.543 39.000 -0.208 0.000 1.096 297 F HN 0.477 nan 8.300 nan 0.000 0.586 298 Y N -1.642 118.751 120.300 0.155 0.000 2.449 298 Y HA 0.093 4.646 4.550 0.003 0.000 0.254 298 Y C 0.858 176.789 175.900 0.051 0.000 1.140 298 Y CA -0.503 57.655 58.100 0.097 0.000 1.272 298 Y CB 0.038 38.544 38.460 0.077 0.000 1.114 298 Y HN -0.212 nan 8.280 nan 0.000 0.525 299 D N 1.811 122.288 120.400 0.129 0.000 2.336 299 D HA 0.036 4.678 4.640 0.003 0.000 0.249 299 D C -0.129 176.191 176.300 0.033 0.000 1.213 299 D CA 0.294 54.335 54.000 0.067 0.000 0.870 299 D CB 0.671 41.486 40.800 0.026 0.000 1.076 299 D HN 0.443 nan 8.370 nan 0.000 0.483 300 E N 1.588 121.811 120.200 0.040 0.000 2.736 300 E HA 0.022 4.374 4.350 0.003 0.000 0.208 300 E C 1.420 178.030 176.600 0.016 0.000 0.996 300 E CA -0.081 56.333 56.400 0.024 0.000 1.104 300 E CB 0.470 30.190 29.700 0.033 0.000 1.111 300 E HN 0.404 nan 8.360 nan 0.000 0.455 301 S N 0.248 115.955 115.700 0.011 0.000 2.399 301 S HA -0.134 4.338 4.470 0.003 0.000 0.231 301 S C 1.905 176.505 174.600 0.001 0.000 1.022 301 S CA 0.649 58.853 58.200 0.007 0.000 0.983 301 S CB -0.204 62.999 63.200 0.005 0.000 0.803 301 S HN 0.262 nan 8.310 nan 0.000 0.480 302 I N 1.251 121.816 120.570 -0.008 0.000 2.277 302 I HA 0.072 4.244 4.170 0.003 0.000 0.243 302 I C 1.222 177.336 176.117 -0.006 0.000 1.094 302 I CA 0.664 61.955 61.300 -0.014 0.000 1.393 302 I CB 0.064 38.043 38.000 -0.035 0.000 1.078 302 I HN 0.674 nan 8.210 nan 0.000 0.417 303 C N -1.794 117.504 119.300 -0.003 0.000 3.231 303 C HA 0.284 4.746 4.460 0.003 0.000 0.343 303 C C 0.071 175.063 174.990 0.005 0.000 1.349 303 C CA -1.254 57.764 59.018 -0.000 0.000 1.209 303 C CB 1.463 29.201 27.740 -0.004 0.000 1.475 303 C HN 0.207 nan 8.230 nan 0.000 0.460 304 K N 0.462 120.864 120.400 0.004 0.000 2.500 304 K HA 0.150 4.472 4.320 0.003 0.000 0.206 304 K C 0.343 176.947 176.600 0.007 0.000 1.034 304 K CA 0.367 56.660 56.287 0.010 0.000 1.179 304 K CB -0.143 32.365 32.500 0.013 0.000 0.884 304 K HN 0.568 nan 8.250 nan 0.000 0.493 305 N N 1.357 120.060 118.700 0.004 0.000 2.610 305 N HA -0.023 4.719 4.740 0.003 0.000 0.307 305 N C -0.904 174.621 175.510 0.024 0.000 1.813 305 N CA -0.251 52.803 53.050 0.007 0.000 0.901 305 N CB 0.476 38.957 38.487 -0.010 0.000 1.354 305 N HN 0.032 nan 8.380 nan 0.000 0.491 306 T N -0.982 113.582 114.554 0.017 0.000 2.930 306 T HA 0.360 4.712 4.350 0.003 0.000 0.306 306 T C 0.257 174.962 174.700 0.008 0.000 1.045 306 T CA -0.255 61.857 62.100 0.020 0.000 1.134 306 T CB 1.043 69.921 68.868 0.016 0.000 0.961 306 T HN 0.085 nan 8.240 nan 0.000 0.545 307 R N 0.997 121.505 120.500 0.013 0.000 2.836 307 R HA 0.734 5.076 4.340 0.003 0.000 0.269 307 R C -0.981 175.372 176.300 0.088 0.000 1.010 307 R CA -0.923 55.155 56.100 -0.035 0.000 0.930 307 R CB 2.313 32.463 30.300 -0.249 0.000 1.218 307 R HN 0.766 nan 8.270 nan 0.000 0.473 308 V N -2.326 117.664 119.914 0.127 0.000 2.841 308 V HA 0.938 5.060 4.120 0.003 0.000 0.310 308 V C -0.887 175.346 176.094 0.233 0.000 1.090 308 V CA -1.050 61.384 62.300 0.223 0.000 0.930 308 V CB 1.934 33.931 31.823 0.289 0.000 1.014 308 V HN 0.891 nan 8.190 nan 0.000 0.425 309 A N 4.204 127.166 122.820 0.237 0.000 2.359 309 A HA 0.992 5.314 4.320 0.003 0.000 0.303 309 A C -1.138 176.431 177.584 -0.024 0.000 1.066 309 A CA -0.630 51.444 52.037 0.063 0.000 0.730 309 A CB 1.311 20.434 19.000 0.205 0.000 1.211 309 A HN 1.918 nan 8.150 nan 0.000 0.439 310 Y N 0.087 120.333 120.300 -0.091 0.000 2.562 310 Y HA 0.797 5.348 4.550 0.003 0.000 0.345 310 Y C -3.322 172.394 175.900 -0.306 0.000 1.045 310 Y CA -3.471 54.476 58.100 -0.256 0.000 1.028 310 Y CB 0.680 39.031 38.460 -0.181 0.000 1.297 310 Y HN 0.376 nan 8.280 nan 0.000 0.463 311 P HA 0.185 nan 4.420 nan 0.000 0.272 311 P C 0.662 177.976 177.300 0.023 0.000 1.223 311 P CA -0.250 62.747 63.100 -0.172 0.000 0.784 311 P CB 1.054 32.633 31.700 -0.202 0.000 0.923 312 L N 1.397 122.646 121.223 0.042 0.000 2.187 312 L HA -0.210 4.132 4.340 0.003 0.000 0.213 312 L C 2.215 179.163 176.870 0.130 0.000 1.100 312 L CA 1.876 56.780 54.840 0.106 0.000 0.765 312 L CB -0.803 41.294 42.059 0.063 0.000 0.904 312 L HN 0.463 nan 8.230 nan 0.000 0.437 313 S N -1.956 113.817 115.700 0.121 0.000 2.469 313 S HA -0.223 4.249 4.470 0.003 0.000 0.238 313 S C 1.637 176.372 174.600 0.224 0.000 0.998 313 S CA 0.883 59.172 58.200 0.149 0.000 0.957 313 S CB -0.729 62.559 63.200 0.146 0.000 0.764 313 S HN 0.570 nan 8.310 nan 0.000 0.514 314 H N -0.039 119.062 119.070 0.053 0.000 2.547 314 H HA 0.256 4.814 4.556 0.003 0.000 0.272 314 H C -0.129 175.158 175.328 -0.069 0.000 0.989 314 H CA -0.004 56.034 56.048 -0.016 0.000 1.214 314 H CB 0.208 29.938 29.762 -0.054 0.000 1.389 314 H HN 0.366 nan 8.280 nan 0.000 0.577 315 I N 2.269 122.900 120.570 0.101 0.000 2.312 315 I HA 0.015 4.187 4.170 0.003 0.000 0.290 315 I C 0.526 176.656 176.117 0.021 0.000 1.008 315 I CA -0.463 60.854 61.300 0.029 0.000 1.226 315 I CB 1.172 39.211 38.000 0.064 0.000 1.371 315 I HN 0.232 nan 8.210 nan 0.000 0.468 316 E N 4.775 124.972 120.200 -0.005 0.000 2.415 316 E HA 0.247 4.599 4.350 0.003 0.000 0.263 316 E C 1.177 177.776 176.600 -0.002 0.000 0.995 316 E CA 0.880 57.277 56.400 -0.005 0.000 0.915 316 E CB 0.420 30.111 29.700 -0.015 0.000 0.951 316 E HN 0.889 nan 8.360 nan 0.000 0.449 317 G N 2.580 111.380 108.800 0.001 0.000 2.199 317 G HA2 -0.332 3.629 3.960 0.003 0.000 0.254 317 G HA3 -0.332 3.629 3.960 0.003 0.000 0.254 317 G C 0.332 175.230 174.900 -0.004 0.000 0.982 317 G CA 0.053 45.151 45.100 -0.003 0.000 0.632 317 G HN 0.935 nan 8.290 nan 0.000 0.529 318 A N 0.678 123.502 122.820 0.006 0.000 2.477 318 A HA 0.612 4.934 4.320 0.003 0.000 0.246 318 A C 0.926 178.507 177.584 -0.005 0.000 1.078 318 A CA -0.017 52.023 52.037 0.005 0.000 0.770 318 A CB 0.201 19.218 19.000 0.029 0.000 1.011 318 A HN 0.936 nan 8.150 nan 0.000 0.494 319 L N 2.706 123.913 121.223 -0.027 0.000 2.490 319 L HA 0.028 4.370 4.340 0.003 0.000 0.274 319 L C 1.816 178.668 176.870 -0.030 0.000 1.201 319 L CA 0.016 54.834 54.840 -0.037 0.000 0.869 319 L CB 0.698 42.719 42.059 -0.064 0.000 1.123 319 L HN 0.990 nan 8.230 nan 0.000 0.484 320 S N 2.437 118.136 115.700 -0.001 0.000 2.345 320 S HA -0.129 4.342 4.470 0.003 0.000 0.220 320 S C 1.004 175.641 174.600 0.062 0.000 1.031 320 S CA 0.997 59.218 58.200 0.036 0.000 0.996 320 S CB 0.106 63.328 63.200 0.038 0.000 0.882 320 S HN 0.603 nan 8.310 nan 0.000 0.445 321 K N 1.424 121.846 120.400 0.036 0.000 2.266 321 K HA 0.476 4.798 4.320 0.003 0.000 0.274 321 K C -0.736 175.806 176.600 -0.097 0.000 1.090 321 K CA -0.248 56.090 56.287 0.085 0.000 0.925 321 K CB 0.622 33.159 32.500 0.062 0.000 1.225 321 K HN 0.260 nan 8.250 nan 0.000 0.458 322 A N 7.118 129.633 122.820 -0.509 0.000 3.030 322 A HA 0.231 4.553 4.320 0.003 0.000 0.273 322 A C -0.011 177.457 177.584 -0.194 0.000 1.841 322 A CA -0.341 51.377 52.037 -0.531 0.000 1.479 322 A CB -1.106 17.330 19.000 -0.941 0.000 1.048 322 A HN 0.781 nan 8.150 nan 0.000 0.612 323 I N -2.856 117.678 120.570 -0.059 0.000 2.802 323 I HA 0.945 5.117 4.170 0.003 0.000 0.298 323 I C -0.351 175.747 176.117 -0.031 0.000 1.176 323 I CA -1.008 60.307 61.300 0.025 0.000 1.025 323 I CB 2.258 40.292 38.000 0.058 0.000 1.243 323 I HN 0.327 nan 8.210 nan 0.000 0.424 324 A N 3.104 125.889 122.820 -0.059 0.000 2.534 324 A HA 0.926 5.248 4.320 0.003 0.000 0.300 324 A C -0.162 177.320 177.584 -0.171 0.000 1.223 324 A CA -0.250 51.723 52.037 -0.108 0.000 0.666 324 A CB 0.599 19.523 19.000 -0.128 0.000 1.316 324 A HN 1.120 nan 8.150 nan 0.000 0.468 325 G N -1.170 107.516 108.800 -0.190 0.000 2.516 325 G HA2 0.484 4.446 3.960 0.003 0.000 0.276 325 G HA3 0.484 4.446 3.960 0.003 0.000 0.276 325 G C -0.401 174.256 174.900 -0.406 0.000 1.390 325 G CA -0.419 44.522 45.100 -0.265 0.000 1.050 325 G HN 0.664 nan 8.290 nan 0.000 0.519 326 H N 0.512 119.460 119.070 -0.202 0.000 2.767 326 H HA 0.186 4.744 4.556 0.003 0.000 0.316 326 H C -1.892 173.206 175.328 -0.382 0.000 1.059 326 H CA -1.203 54.631 56.048 -0.356 0.000 1.461 326 H CB 0.715 30.265 29.762 -0.354 0.000 1.475 326 H HN 0.076 nan 8.280 nan 0.000 0.531 327 P HA -0.087 nan 4.420 nan 0.000 0.258 327 P C 0.945 178.162 177.300 -0.138 0.000 1.172 327 P CA 0.512 63.336 63.100 -0.460 0.000 0.762 327 P CB 0.632 31.850 31.700 -0.803 0.000 0.764 328 K N 3.535 123.895 120.400 -0.067 0.000 2.211 328 K HA 0.031 4.353 4.320 0.003 0.000 0.201 328 K C 0.116 176.756 176.600 0.066 0.000 1.052 328 K CA 0.749 57.057 56.287 0.035 0.000 0.973 328 K CB 0.274 32.798 32.500 0.039 0.000 0.766 328 K HN 0.398 nan 8.250 nan 0.000 0.466 329 N N 0.656 119.370 118.700 0.023 0.000 2.296 329 N HA 0.208 4.950 4.740 0.003 0.000 0.294 329 N C -1.712 173.778 175.510 -0.033 0.000 1.033 329 N CA -0.444 52.657 53.050 0.085 0.000 0.839 329 N CB 2.561 41.102 38.487 0.089 0.000 1.395 329 N HN -0.199 nan 8.380 nan 0.000 0.479 330 V N 3.629 123.557 119.914 0.023 0.000 2.409 330 V HA 0.525 4.647 4.120 0.003 0.000 0.291 330 V C 0.017 176.061 176.094 -0.084 0.000 1.020 330 V CA -0.574 61.711 62.300 -0.026 0.000 0.848 330 V CB 1.478 33.328 31.823 0.044 0.000 0.990 330 V HN 0.508 nan 8.190 nan 0.000 0.430 331 I N 5.095 125.616 120.570 -0.081 0.000 2.433 331 I HA 0.498 4.670 4.170 0.003 0.000 0.292 331 I C -1.109 175.141 176.117 0.221 0.000 1.001 331 I CA -0.434 60.845 61.300 -0.035 0.000 1.119 331 I CB 1.843 39.761 38.000 -0.137 0.000 1.289 331 I HN 0.363 nan 8.210 nan 0.000 0.438 332 F N 6.218 126.247 119.950 0.132 0.000 2.411 332 F HA 0.458 4.987 4.527 0.003 0.000 0.352 332 F C 0.015 175.746 175.800 -0.117 0.000 1.123 332 F CA -1.156 56.808 58.000 -0.060 0.000 1.044 332 F CB 0.949 40.011 39.000 0.104 0.000 1.135 332 F HN 0.124 nan 8.300 nan 0.000 0.461 333 L N 3.045 124.230 121.223 -0.063 0.000 2.265 333 L HA 0.412 4.754 4.340 0.003 0.000 0.288 333 L C 0.476 177.349 176.870 0.004 0.000 1.058 333 L CA -0.308 54.534 54.840 0.004 0.000 0.809 333 L CB 1.290 43.362 42.059 0.022 0.000 1.179 333 L HN 0.565 nan 8.230 nan 0.000 0.429 334 T N 2.324 116.964 114.554 0.143 0.000 2.842 334 T HA 0.159 4.511 4.350 0.003 0.000 0.308 334 T C 0.000 174.775 174.700 0.125 0.000 1.041 334 T CA -0.677 61.553 62.100 0.216 0.000 0.964 334 T CB 0.283 69.404 68.868 0.422 0.000 0.972 334 T HN 0.486 nan 8.240 nan 0.000 0.460 335 N N 4.814 123.546 118.700 0.054 0.000 2.739 335 N HA 0.060 4.802 4.740 0.003 0.000 0.266 335 N C -0.643 174.901 175.510 0.057 0.000 1.168 335 N CA -0.321 52.760 53.050 0.053 0.000 1.055 335 N CB 0.282 38.790 38.487 0.035 0.000 1.393 335 N HN 0.635 nan 8.380 nan 0.000 0.514 336 D N 2.018 122.520 120.400 0.171 0.000 2.352 336 D HA 0.222 4.864 4.640 0.003 0.000 0.245 336 D C 0.903 177.410 176.300 0.346 0.000 1.224 336 D CA -0.390 53.798 54.000 0.314 0.000 0.879 336 D CB 0.887 41.974 40.800 0.477 0.000 1.057 336 D HN 0.437 nan 8.370 nan 0.000 0.491 337 A N 3.550 126.496 122.820 0.211 0.000 2.119 337 A HA -0.052 4.270 4.320 0.003 0.000 0.217 337 A C 1.564 179.089 177.584 -0.097 0.000 1.153 337 A CA 0.553 52.573 52.037 -0.028 0.000 0.692 337 A CB -0.551 18.292 19.000 -0.262 0.000 0.799 337 A HN 0.645 nan 8.150 nan 0.000 0.458 338 F N -0.555 119.552 119.950 0.262 0.000 2.615 338 F HA 0.255 4.784 4.527 0.003 0.000 0.297 338 F C 1.929 177.988 175.800 0.431 0.000 1.124 338 F CA 0.828 59.010 58.000 0.303 0.000 1.451 338 F CB 0.023 39.211 39.000 0.313 0.000 1.103 338 F HN 0.356 nan 8.300 nan 0.000 0.569 339 G N 0.748 109.879 108.800 0.552 0.000 2.198 339 G HA2 -0.288 3.674 3.960 0.003 0.000 0.260 339 G HA3 -0.288 3.674 3.960 0.003 0.000 0.260 339 G C 0.787 176.104 174.900 0.694 0.000 1.025 339 G CA 0.555 45.983 45.100 0.546 0.000 0.769 339 G HN 0.524 nan 8.290 nan 0.000 0.507 340 V N -4.049 116.182 119.914 0.527 0.000 3.661 340 V HA 0.547 4.669 4.120 0.003 0.000 0.271 340 V C 1.353 177.559 176.094 0.186 0.000 1.315 340 V CA 0.219 62.761 62.300 0.403 0.000 1.072 340 V CB 0.103 32.041 31.823 0.191 0.000 0.830 340 V HN 0.232 nan 8.190 nan 0.000 0.443 341 M N 2.115 121.798 119.600 0.139 0.000 2.233 341 M HA 0.460 4.942 4.480 0.003 0.000 0.350 341 M C -2.513 173.771 176.300 -0.028 0.000 1.176 341 M CA -2.143 53.167 55.300 0.017 0.000 1.150 341 M CB 0.306 33.002 32.600 0.160 0.000 1.530 341 M HN 0.071 nan 8.290 nan 0.000 0.459 342 P HA 0.209 nan 4.420 nan 0.000 0.274 342 P C -2.044 175.201 177.300 -0.091 0.000 1.237 342 P CA -1.074 61.901 63.100 -0.209 0.000 0.793 342 P CB -0.019 31.500 31.700 -0.302 0.000 0.977 343 P HA -0.101 nan 4.420 nan 0.000 0.216 343 P C 0.079 177.353 177.300 -0.043 0.000 1.150 343 P CA 1.374 64.435 63.100 -0.066 0.000 0.837 343 P CB 0.302 31.941 31.700 -0.101 0.000 0.786 344 V N -2.383 117.509 119.914 -0.036 0.000 2.969 344 V HA 0.745 4.866 4.120 0.003 0.000 0.304 344 V C -1.956 174.190 176.094 0.088 0.000 1.192 344 V CA -0.850 61.471 62.300 0.036 0.000 0.962 344 V CB 1.974 33.820 31.823 0.039 0.000 1.045 344 V HN 0.002 nan 8.190 nan 0.000 0.428 345 A N 5.729 128.633 122.820 0.140 0.000 2.486 345 A HA 0.863 5.185 4.320 0.003 0.000 0.300 345 A C -0.883 176.785 177.584 0.140 0.000 1.048 345 A CA -0.822 51.294 52.037 0.132 0.000 0.696 345 A CB 1.808 20.791 19.000 -0.028 0.000 1.278 345 A HN 0.955 nan 8.150 nan 0.000 0.405 346 R N 2.803 123.330 120.500 0.045 0.000 2.207 346 R HA 0.560 4.902 4.340 0.003 0.000 0.334 346 R C -1.205 174.903 176.300 -0.320 0.000 1.013 346 R CA -0.417 55.450 56.100 -0.388 0.000 0.858 346 R CB 0.276 30.126 30.300 -0.749 0.000 1.094 346 R HN 0.725 nan 8.270 nan 0.000 0.457 347 L N 4.161 125.182 121.223 -0.337 0.000 2.326 347 L HA 0.284 4.625 4.340 0.003 0.000 0.278 347 L C 1.044 177.823 176.870 -0.152 0.000 1.092 347 L CA -0.643 54.096 54.840 -0.170 0.000 0.810 347 L CB 1.438 43.432 42.059 -0.109 0.000 1.153 347 L HN 0.752 nan 8.230 nan 0.000 0.439 348 T N -1.254 113.287 114.554 -0.022 0.000 2.788 348 T HA 0.097 4.449 4.350 0.003 0.000 0.287 348 T C 1.220 175.924 174.700 0.008 0.000 1.007 348 T CA -0.577 61.507 62.100 -0.027 0.000 1.005 348 T CB 1.117 70.009 68.868 0.040 0.000 1.012 348 T HN 0.562 nan 8.240 nan 0.000 0.530 349 S N 0.690 116.390 115.700 -0.001 0.000 2.382 349 S HA -0.071 4.401 4.470 0.003 0.000 0.228 349 S C 2.469 177.124 174.600 0.092 0.000 1.027 349 S CA 1.028 59.246 58.200 0.030 0.000 0.991 349 S CB -0.993 62.212 63.200 0.008 0.000 0.823 349 S HN 0.872 nan 8.310 nan 0.000 0.469 350 A N 1.546 124.421 122.820 0.092 0.000 1.877 350 A HA -0.171 4.151 4.320 0.003 0.000 0.216 350 A C 2.120 179.835 177.584 0.218 0.000 1.186 350 A CA 1.406 53.517 52.037 0.123 0.000 0.620 350 A CB -0.684 18.363 19.000 0.079 0.000 0.822 350 A HN 0.543 nan 8.150 nan 0.000 0.443 351 Q N -0.537 119.409 119.800 0.243 0.000 2.124 351 Q HA -0.100 4.242 4.340 0.003 0.000 0.202 351 Q C 2.400 178.773 176.000 0.621 0.000 0.977 351 Q CA 1.238 57.308 55.803 0.445 0.000 0.850 351 Q CB -0.435 28.509 28.738 0.343 0.000 0.901 351 Q HN 0.685 nan 8.270 nan 0.000 0.429 352 A N 1.119 124.184 122.820 0.407 0.000 1.883 352 A HA -0.267 4.055 4.320 0.003 0.000 0.217 352 A C 2.099 180.035 177.584 0.587 0.000 1.186 352 A CA 1.871 54.201 52.037 0.487 0.000 0.624 352 A CB -0.573 18.563 19.000 0.227 0.000 0.822 352 A HN 0.414 nan 8.150 nan 0.000 0.444 353 M N -1.739 118.099 119.600 0.397 0.000 2.117 353 M HA -0.063 4.418 4.480 0.003 0.000 0.262 353 M C 1.864 178.350 176.300 0.311 0.000 1.065 353 M CA 2.054 57.553 55.300 0.331 0.000 1.114 353 M CB -0.443 32.288 32.600 0.219 0.000 1.361 353 M HN 0.443 nan 8.290 nan 0.000 0.408 354 F N -0.446 119.624 119.950 0.199 0.000 2.046 354 F HA -0.207 4.322 4.527 0.003 0.000 0.297 354 F C 1.373 177.206 175.800 0.054 0.000 1.123 354 F CA 2.067 60.103 58.000 0.060 0.000 1.199 354 F CB -0.802 38.217 39.000 0.031 0.000 0.972 354 F HN 0.233 nan 8.300 nan 0.000 0.474 355 W N -0.397 121.105 121.300 0.336 0.000 2.374 355 W HA -0.147 4.515 4.660 0.003 0.000 0.288 355 W C 2.462 178.973 176.519 -0.013 0.000 1.218 355 W CA 1.630 59.145 57.345 0.285 0.000 1.245 355 W CB -1.095 28.756 29.460 0.651 0.000 1.126 355 W HN 0.172 nan 8.180 nan 0.000 0.545 356 F N 0.962 120.872 119.950 -0.066 0.000 2.084 356 F HA -0.261 4.268 4.527 0.003 0.000 0.296 356 F C 2.358 177.881 175.800 -0.461 0.000 1.111 356 F CA 2.278 59.984 58.000 -0.491 0.000 1.224 356 F CB -0.520 38.304 39.000 -0.292 0.000 0.991 356 F HN -0.210 nan 8.300 nan 0.000 0.471 357 V N -1.622 117.998 119.914 -0.490 0.000 2.548 357 V HA -0.221 3.901 4.120 0.003 0.000 0.249 357 V C 2.152 177.927 176.094 -0.532 0.000 1.055 357 V CA 1.264 63.188 62.300 -0.626 0.000 1.065 357 V CB -0.714 30.678 31.823 -0.719 0.000 0.681 357 V HN 0.366 nan 8.190 nan 0.000 0.462 358 M N 1.299 120.543 119.600 -0.593 0.000 2.132 358 M HA 0.156 4.638 4.480 0.003 0.000 0.263 358 M C 1.850 177.959 176.300 -0.318 0.000 1.065 358 M CA 1.654 56.699 55.300 -0.426 0.000 1.122 358 M CB -1.659 30.487 32.600 -0.757 0.000 1.365 358 M HN 0.799 nan 8.290 nan 0.000 0.411 359 G N 1.016 109.446 108.800 -0.617 0.000 2.338 359 G HA2 -0.293 3.669 3.960 0.003 0.000 0.296 359 G HA3 -0.293 3.669 3.960 0.003 0.000 0.296 359 G C -0.290 174.349 174.900 -0.435 0.000 1.040 359 G CA 0.288 44.758 45.100 -1.049 0.000 1.004 359 G HN 0.572 nan 8.290 nan 0.000 0.509 360 Y N 0.997 121.176 120.300 -0.202 0.000 2.402 360 Y HA 0.561 5.113 4.550 0.003 0.000 0.333 360 Y C 0.757 176.743 175.900 0.143 0.000 1.076 360 Y CA 0.789 58.734 58.100 -0.258 0.000 1.299 360 Y CB 1.202 39.520 38.460 -0.236 0.000 1.197 360 Y HN 0.492 nan 8.280 nan 0.000 0.517 361 T N 3.315 117.402 114.554 -0.778 0.000 2.637 361 T HA 0.771 5.123 4.350 0.003 0.000 0.266 361 T C -1.851 172.562 174.700 -0.478 0.000 1.251 361 T CA 0.012 61.828 62.100 -0.472 0.000 1.131 361 T CB 0.092 68.999 68.868 0.065 0.000 1.841 361 T HN 0.958 nan 8.240 nan 0.000 0.437 362 A N 1.332 124.047 122.820 -0.174 0.000 2.475 362 A HA 0.763 5.085 4.320 0.003 0.000 0.301 362 A C -1.318 176.249 177.584 -0.028 0.000 1.059 362 A CA -0.599 51.376 52.037 -0.104 0.000 0.710 362 A CB 1.579 20.550 19.000 -0.049 0.000 1.288 362 A HN 0.640 nan 8.150 nan 0.000 0.408 363 N N 1.339 120.027 118.700 -0.020 0.000 2.589 363 N HA 0.408 5.150 4.740 0.003 0.000 0.232 363 N C -0.151 175.366 175.510 0.013 0.000 1.015 363 N CA -0.218 52.836 53.050 0.006 0.000 0.931 363 N CB 0.758 39.243 38.487 -0.002 0.000 1.150 363 N HN 0.778 nan 8.380 nan 0.000 0.512 364 V N 2.163 122.094 119.914 0.027 0.000 2.963 364 V HA 0.510 4.632 4.120 0.003 0.000 0.306 364 V C -2.077 174.028 176.094 0.019 0.000 1.077 364 V CA -1.558 60.759 62.300 0.027 0.000 1.124 364 V CB 0.012 31.856 31.823 0.035 0.000 0.987 364 V HN 0.482 nan 8.190 nan 0.000 0.487 365 P HA 0.384 nan 4.420 nan 0.000 0.269 365 P C 1.009 178.309 177.300 -0.000 0.000 1.209 365 P CA 1.520 64.623 63.100 0.006 0.000 0.776 365 P CB 0.900 32.606 31.700 0.010 0.000 0.876 366 G N 1.072 109.862 108.800 -0.016 0.000 2.812 366 G HA2 -0.360 3.602 3.960 0.003 0.000 0.219 366 G HA3 -0.360 3.602 3.960 0.003 0.000 0.219 366 G C 1.214 176.072 174.900 -0.069 0.000 1.275 366 G CA 0.587 45.665 45.100 -0.037 0.000 0.769 366 G HN 0.513 nan 8.290 nan 0.000 0.527 367 V N -0.908 118.988 119.914 -0.029 0.000 2.277 367 V HA -0.034 4.088 4.120 0.003 0.000 0.255 367 V C 0.885 176.942 176.094 -0.062 0.000 1.074 367 V CA 2.898 65.191 62.300 -0.011 0.000 1.058 367 V CB -0.650 31.212 31.823 0.065 0.000 0.656 367 V HN 0.746 nan 8.190 nan 0.000 0.449 368 E N -0.425 119.747 120.200 -0.048 0.000 2.299 368 E HA 0.749 5.101 4.350 0.003 0.000 0.265 368 E C -0.219 176.341 176.600 -0.066 0.000 0.911 368 E CA -0.530 55.836 56.400 -0.056 0.000 0.789 368 E CB 1.947 31.632 29.700 -0.024 0.000 1.246 368 E HN 0.623 nan 8.360 nan 0.000 0.427 369 A N 0.333 123.116 122.820 -0.062 0.000 2.366 369 A HA 0.486 4.808 4.320 0.003 0.000 0.249 369 A C 1.023 178.591 177.584 -0.026 0.000 1.084 369 A CA 0.545 52.554 52.037 -0.046 0.000 0.794 369 A CB -0.380 18.599 19.000 -0.035 0.000 1.034 369 A HN 0.856 nan 8.150 nan 0.000 0.491 370 G N 0.148 108.937 108.800 -0.019 0.000 2.225 370 G HA2 0.063 4.025 3.960 0.003 0.000 0.267 370 G HA3 0.063 4.025 3.960 0.003 0.000 0.267 370 G C 0.705 175.600 174.900 -0.009 0.000 1.024 370 G CA 0.917 46.011 45.100 -0.010 0.000 0.784 370 G HN 1.771 nan 8.290 nan 0.000 0.507 371 G N -1.014 107.779 108.800 -0.012 0.000 2.522 371 G HA2 0.798 4.760 3.960 0.003 0.000 0.304 371 G HA3 0.798 4.760 3.960 0.003 0.000 0.304 371 G C 0.386 175.283 174.900 -0.004 0.000 1.210 371 G CA 0.442 45.538 45.100 -0.008 0.000 0.960 371 G HN 1.208 nan 8.290 nan 0.000 0.497 372 T N -2.810 111.743 114.554 -0.002 0.000 2.909 372 T HA 0.287 4.639 4.350 0.003 0.000 0.286 372 T C 1.419 176.119 174.700 0.000 0.000 1.002 372 T CA -0.604 61.496 62.100 -0.000 0.000 1.074 372 T CB 1.621 70.489 68.868 -0.000 0.000 0.984 372 T HN 0.280 nan 8.240 nan 0.000 0.495 373 R N 0.726 121.228 120.500 0.003 0.000 2.316 373 R HA 0.032 4.374 4.340 0.003 0.000 0.232 373 R C 0.993 177.297 176.300 0.008 0.000 1.137 373 R CA 1.043 57.147 56.100 0.006 0.000 1.012 373 R CB -1.482 28.823 30.300 0.009 0.000 0.859 373 R HN 0.900 nan 8.270 nan 0.000 0.474 374 T N -0.088 114.466 114.554 0.001 0.000 2.855 374 T HA 0.693 5.045 4.350 0.003 0.000 0.281 374 T C -0.042 174.652 174.700 -0.010 0.000 1.007 374 T CA -0.276 61.822 62.100 -0.004 0.000 1.009 374 T CB 1.793 70.649 68.868 -0.019 0.000 0.983 374 T HN 0.370 nan 8.240 nan 0.000 0.455 375 A N 1.999 124.815 122.820 -0.006 0.000 2.531 375 A HA 0.590 4.912 4.320 0.003 0.000 0.236 375 A C 0.741 178.302 177.584 -0.038 0.000 1.062 375 A CA -0.306 51.726 52.037 -0.008 0.000 0.760 375 A CB -0.149 18.862 19.000 0.019 0.000 0.995 375 A HN 1.095 nan 8.150 nan 0.000 0.501 376 R N 3.245 123.728 120.500 -0.028 0.000 2.534 376 R HA 0.709 5.051 4.340 0.003 0.000 0.301 376 R C -3.199 173.087 176.300 -0.023 0.000 0.961 376 R CA -1.885 54.199 56.100 -0.027 0.000 0.871 376 R CB 0.108 30.408 30.300 -0.001 0.000 1.170 376 R HN 0.690 nan 8.270 nan 0.000 0.446 377 P HA 0.351 nan 4.420 nan 0.000 0.267 377 P C -0.436 176.871 177.300 0.012 0.000 1.200 377 P CA -0.058 63.069 63.100 0.046 0.000 0.772 377 P CB 0.626 32.529 31.700 0.337 0.000 0.855 378 I N 1.295 121.774 120.570 -0.152 0.000 2.984 378 I HA 0.421 4.593 4.170 0.003 0.000 0.303 378 I C -1.590 174.325 176.117 -0.337 0.000 1.381 378 I CA -1.096 60.128 61.300 -0.126 0.000 0.988 378 I CB 1.533 39.497 38.000 -0.059 0.000 1.307 378 I HN 0.071 nan 8.210 nan 0.000 0.460 379 F N 4.408 124.348 119.950 -0.018 0.000 2.347 379 F HA 0.393 4.922 4.527 0.003 0.000 0.366 379 F C 0.252 175.956 175.800 -0.160 0.000 1.107 379 F CA -0.475 57.463 58.000 -0.103 0.000 1.058 379 F CB 1.735 40.650 39.000 -0.142 0.000 1.236 379 F HN 0.210 nan 8.300 nan 0.000 0.456 380 S N 2.643 118.281 115.700 -0.105 0.000 2.498 380 S HA 0.351 4.823 4.470 0.003 0.000 0.324 380 S C -0.170 174.257 174.600 -0.288 0.000 1.071 380 S CA -0.577 57.529 58.200 -0.156 0.000 1.113 380 S CB 0.377 63.518 63.200 -0.098 0.000 0.976 380 S HN 0.494 nan 8.310 nan 0.000 0.462 381 S N 3.168 118.708 115.700 -0.268 0.000 2.702 381 S HA -0.044 4.428 4.470 0.003 0.000 0.314 381 S C 1.008 175.314 174.600 -0.489 0.000 1.244 381 S CA 0.338 58.330 58.200 -0.348 0.000 1.058 381 S CB -0.728 62.313 63.200 -0.266 0.000 0.783 381 S HN 1.127 nan 8.310 nan 0.000 0.503 382 C N 2.284 121.093 119.300 -0.817 0.000 4.233 382 C HA -0.249 4.213 4.460 0.003 0.000 0.292 382 C C 0.740 175.601 174.990 -0.215 0.000 1.469 382 C CA 0.247 58.627 59.018 -1.062 0.000 2.013 382 C CB -3.090 24.121 27.740 -0.881 0.000 1.282 382 C HN 1.086 nan 8.230 nan 0.000 0.796 383 F N -2.400 117.488 119.950 -0.103 0.000 3.084 383 F HA -0.182 4.346 4.527 0.003 0.000 0.286 383 F C 1.158 177.165 175.800 0.344 0.000 0.855 383 F CA 1.212 59.299 58.000 0.145 0.000 1.091 383 F CB -1.568 37.599 39.000 0.279 0.000 1.177 383 F HN 0.670 nan 8.300 nan 0.000 0.542 384 G N -0.953 107.981 108.800 0.224 0.000 5.284 384 G HA2 0.415 4.377 3.960 0.003 0.000 0.236 384 G HA3 0.415 4.377 3.960 0.003 0.000 0.236 384 G C 1.080 175.839 174.900 -0.235 0.000 0.870 384 G CA 0.246 45.452 45.100 0.177 0.000 0.724 384 G HN 0.605 nan 8.290 nan 0.000 0.336 385 G N 2.039 110.683 108.800 -0.261 0.000 2.547 385 G HA2 -0.204 3.758 3.960 0.003 0.000 0.221 385 G HA3 -0.204 3.758 3.960 0.003 0.000 0.221 385 G C 0.040 174.660 174.900 -0.466 0.000 1.140 385 G CA 1.580 46.473 45.100 -0.345 0.000 0.760 385 G HN 0.436 nan 8.290 nan 0.000 0.583 386 P HA 0.049 nan 4.420 nan 0.000 0.230 386 P C 0.717 177.475 177.300 -0.903 0.000 1.158 386 P CA 0.752 63.333 63.100 -0.865 0.000 0.769 386 P CB -0.095 30.913 31.700 -1.154 0.000 0.807 387 F N -2.546 117.253 119.950 -0.252 0.000 2.706 387 F HA 0.216 4.745 4.527 0.003 0.000 0.308 387 F C 1.024 176.537 175.800 -0.477 0.000 1.095 387 F CA -0.546 57.306 58.000 -0.248 0.000 1.244 387 F CB -0.222 38.686 39.000 -0.153 0.000 1.063 387 F HN -0.302 nan 8.300 nan 0.000 0.582 388 L N 0.751 121.628 121.223 -0.578 0.000 2.461 388 L HA 0.105 4.447 4.340 0.003 0.000 0.272 388 L C 1.030 177.792 176.870 -0.180 0.000 1.197 388 L CA -0.250 54.222 54.840 -0.613 0.000 0.836 388 L CB 0.985 42.761 42.059 -0.473 0.000 1.105 388 L HN -0.011 nan 8.230 nan 0.000 0.477 389 V N 0.617 120.544 119.914 0.022 0.000 2.806 389 V HA 0.113 4.235 4.120 0.003 0.000 0.239 389 V C 1.188 177.222 176.094 -0.101 0.000 1.113 389 V CA 0.388 62.667 62.300 -0.035 0.000 1.137 389 V CB -0.041 31.781 31.823 -0.001 0.000 0.865 389 V HN 0.676 nan 8.190 nan 0.000 0.482 390 R N 0.336 120.843 120.500 0.012 0.000 2.574 390 R HA 0.274 4.616 4.340 0.003 0.000 0.266 390 R C 0.222 176.531 176.300 0.016 0.000 1.157 390 R CA -0.464 55.529 56.100 -0.178 0.000 1.187 390 R CB -0.177 29.756 30.300 -0.612 0.000 1.179 390 R HN 0.417 nan 8.270 nan 0.000 0.600 391 H N -0.053 118.970 119.070 -0.078 0.000 2.690 391 H HA 0.071 4.629 4.556 0.003 0.000 0.365 391 H C 0.839 176.260 175.328 0.156 0.000 1.142 391 H CA 0.566 56.626 56.048 0.021 0.000 1.417 391 H CB 1.246 31.011 29.762 0.004 0.000 1.446 391 H HN 0.587 nan 8.280 nan 0.000 0.599 392 A N 3.536 126.211 122.820 -0.242 0.000 1.917 392 A HA -0.213 4.109 4.320 0.003 0.000 0.219 392 A C 2.411 180.178 177.584 0.304 0.000 1.182 392 A CA 2.270 54.352 52.037 0.076 0.000 0.633 392 A CB -1.006 17.966 19.000 -0.047 0.000 0.819 392 A HN 0.837 nan 8.150 nan 0.000 0.448 393 T N -1.028 113.869 114.554 0.572 0.000 2.803 393 T HA -0.154 4.198 4.350 0.003 0.000 0.269 393 T C 1.520 176.365 174.700 0.242 0.000 1.052 393 T CA 1.542 63.879 62.100 0.395 0.000 1.136 393 T CB -0.402 68.695 68.868 0.382 0.000 0.864 393 T HN 0.518 nan 8.240 nan 0.000 0.467 394 F N 1.012 121.009 119.950 0.077 0.000 2.102 394 F HA -0.156 4.373 4.527 0.003 0.000 0.298 394 F C 1.875 177.626 175.800 -0.081 0.000 1.105 394 F CA 1.226 59.161 58.000 -0.108 0.000 1.239 394 F CB -0.445 38.356 39.000 -0.332 0.000 0.991 394 F HN 0.181 nan 8.300 nan 0.000 0.474 395 Y N 0.243 120.720 120.300 0.295 0.000 2.242 395 Y HA 0.010 4.562 4.550 0.003 0.000 0.291 395 Y C 2.751 178.855 175.900 0.341 0.000 1.137 395 Y CA 1.058 59.345 58.100 0.310 0.000 1.181 395 Y CB -1.420 37.298 38.460 0.431 0.000 0.989 395 Y HN 0.119 nan 8.280 nan 0.000 0.527 396 G N -0.089 108.983 108.800 0.454 0.000 2.440 396 G HA2 -0.251 3.711 3.960 0.003 0.000 0.218 396 G HA3 -0.251 3.711 3.960 0.003 0.000 0.218 396 G C 1.489 176.502 174.900 0.188 0.000 1.154 396 G CA 1.107 46.469 45.100 0.437 0.000 0.767 396 G HN 0.421 nan 8.290 nan 0.000 0.552 397 E N -0.066 120.162 120.200 0.047 0.000 2.150 397 E HA -0.102 4.250 4.350 0.003 0.000 0.193 397 E C 2.673 179.203 176.600 -0.117 0.000 0.985 397 E CA 0.687 57.055 56.400 -0.054 0.000 0.814 397 E CB -0.060 29.569 29.700 -0.118 0.000 0.752 397 E HN 0.537 nan 8.360 nan 0.000 0.466 398 Q N 0.243 119.944 119.800 -0.165 0.000 2.046 398 Q HA -0.168 4.174 4.340 0.003 0.000 0.200 398 Q C 2.309 178.233 176.000 -0.127 0.000 0.975 398 Q CA 0.887 56.587 55.803 -0.171 0.000 0.836 398 Q CB -0.096 28.561 28.738 -0.134 0.000 0.896 398 Q HN 0.188 nan 8.270 nan 0.000 0.428 399 L N 0.729 121.923 121.223 -0.048 0.000 2.046 399 L HA -0.129 4.213 4.340 0.003 0.000 0.208 399 L C 2.187 178.986 176.870 -0.118 0.000 1.077 399 L CA 2.037 56.802 54.840 -0.124 0.000 0.747 399 L CB -0.800 41.077 42.059 -0.304 0.000 0.896 399 L HN 0.128 nan 8.230 nan 0.000 0.432 400 A N -0.540 122.248 122.820 -0.054 0.000 1.908 400 A HA -0.230 4.092 4.320 0.003 0.000 0.218 400 A C 2.342 179.877 177.584 -0.080 0.000 1.181 400 A CA 2.365 54.383 52.037 -0.031 0.000 0.627 400 A CB -1.205 17.799 19.000 0.006 0.000 0.818 400 A HN 0.545 nan 8.150 nan 0.000 0.445 401 E N 0.147 120.275 120.200 -0.119 0.000 2.106 401 E HA -0.172 4.180 4.350 0.003 0.000 0.192 401 E C 2.049 178.518 176.600 -0.218 0.000 0.984 401 E CA 1.506 57.817 56.400 -0.150 0.000 0.806 401 E CB -0.490 29.120 29.700 -0.150 0.000 0.750 401 E HN 0.552 nan 8.360 nan 0.000 0.458 402 K N -0.428 119.782 120.400 -0.316 0.000 2.001 402 K HA 0.037 4.359 4.320 0.003 0.000 0.208 402 K C 2.411 178.857 176.600 -0.256 0.000 1.048 402 K CA 1.583 57.560 56.287 -0.516 0.000 0.932 402 K CB -0.359 31.407 32.500 -1.223 0.000 0.715 402 K HN 0.450 nan 8.250 nan 0.000 0.437 403 M N 0.657 120.177 119.600 -0.132 0.000 2.213 403 M HA -0.185 4.297 4.480 0.003 0.000 0.263 403 M C 2.321 178.644 176.300 0.038 0.000 1.062 403 M CA 1.420 56.785 55.300 0.108 0.000 1.105 403 M CB -0.293 32.373 32.600 0.109 0.000 1.385 403 M HN 0.035 nan 8.290 nan 0.000 0.417 404 Q N 1.310 121.081 119.800 -0.048 0.000 2.046 404 Q HA -0.150 4.192 4.340 0.003 0.000 0.200 404 Q C 1.873 177.807 176.000 -0.109 0.000 0.975 404 Q CA 1.802 57.567 55.803 -0.064 0.000 0.836 404 Q CB -0.216 28.477 28.738 -0.074 0.000 0.896 404 Q HN 0.404 nan 8.270 nan 0.000 0.428 405 K N -1.238 119.034 120.400 -0.212 0.000 2.147 405 K HA -0.153 4.169 4.320 0.003 0.000 0.205 405 K C 0.890 177.216 176.600 -0.457 0.000 1.049 405 K CA 1.318 57.380 56.287 -0.375 0.000 0.936 405 K CB -0.018 32.143 32.500 -0.564 0.000 0.722 405 K HN 0.405 nan 8.250 nan 0.000 0.446 406 H N 0.203 119.272 119.070 -0.002 0.000 2.542 406 H HA 0.149 4.707 4.556 0.003 0.000 0.283 406 H C -0.175 175.204 175.328 0.085 0.000 1.059 406 H CA -0.041 56.046 56.048 0.065 0.000 1.162 406 H CB 0.422 30.308 29.762 0.207 0.000 1.539 406 H HN 0.239 nan 8.280 nan 0.000 0.543 407 N N 1.086 119.848 118.700 0.104 0.000 2.721 407 N HA -0.171 4.571 4.740 0.003 0.000 0.249 407 N C -0.431 175.136 175.510 0.096 0.000 1.072 407 N CA 0.695 53.787 53.050 0.070 0.000 0.710 407 N CB -1.514 37.004 38.487 0.051 0.000 0.993 407 N HN 0.168 nan 8.380 nan 0.000 0.547 408 S N 0.149 115.940 115.700 0.151 0.000 2.562 408 S HA 0.235 4.707 4.470 0.003 0.000 0.281 408 S C 0.873 175.487 174.600 0.023 0.000 1.333 408 S CA -0.483 57.800 58.200 0.139 0.000 1.052 408 S CB 1.093 64.444 63.200 0.252 0.000 0.884 408 S HN 0.237 nan 8.310 nan 0.000 0.506 409 R N 1.519 122.015 120.500 -0.005 0.000 2.312 409 R HA 0.532 4.874 4.340 0.003 0.000 0.311 409 R C -0.488 175.617 176.300 -0.326 0.000 1.004 409 R CA -0.780 55.206 56.100 -0.189 0.000 0.902 409 R CB 0.938 31.189 30.300 -0.082 0.000 1.073 409 R HN 0.527 nan 8.270 nan 0.000 0.457 410 V N 2.814 122.394 119.914 -0.557 0.000 2.435 410 V HA 0.601 4.723 4.120 0.003 0.000 0.290 410 V C -0.750 174.883 176.094 -0.768 0.000 1.030 410 V CA -0.941 61.030 62.300 -0.548 0.000 0.881 410 V CB 1.199 32.770 31.823 -0.419 0.000 0.983 410 V HN 0.881 nan 8.190 nan 0.000 0.445 411 W N 4.213 125.323 121.300 -0.317 0.000 2.864 411 W HA 0.756 5.418 4.660 0.003 0.000 0.343 411 W C -0.860 175.532 176.519 -0.212 0.000 1.109 411 W CA -0.812 56.401 57.345 -0.219 0.000 1.192 411 W CB 1.676 31.036 29.460 -0.167 0.000 1.426 411 W HN 0.376 nan 8.180 nan 0.000 0.529 412 L N 3.525 124.812 121.223 0.106 0.000 2.325 412 L HA 0.645 4.987 4.340 0.003 0.000 0.281 412 L C -1.350 175.575 176.870 0.091 0.000 1.004 412 L CA -0.772 54.117 54.840 0.080 0.000 0.823 412 L CB 0.649 42.647 42.059 -0.102 0.000 1.236 412 L HN 0.390 nan 8.230 nan 0.000 0.415 413 L N 4.577 125.866 121.223 0.110 0.000 2.333 413 L HA 0.487 4.829 4.340 0.003 0.000 0.280 413 L C -0.363 176.554 176.870 0.079 0.000 1.004 413 L CA -0.744 54.138 54.840 0.070 0.000 0.820 413 L CB 1.703 43.795 42.059 0.055 0.000 1.247 413 L HN 0.591 nan 8.230 nan 0.000 0.416 414 N N 1.501 120.235 118.700 0.057 0.000 2.406 414 N HA 0.090 4.832 4.740 0.003 0.000 0.251 414 N C 0.599 176.131 175.510 0.037 0.000 1.069 414 N CA -0.198 52.899 53.050 0.079 0.000 0.947 414 N CB 1.071 39.607 38.487 0.081 0.000 1.111 414 N HN 0.674 nan 8.380 nan 0.000 0.497 415 T N -0.132 114.445 114.554 0.037 0.000 3.186 415 T HA 0.330 4.682 4.350 0.003 0.000 0.257 415 T C 1.073 175.751 174.700 -0.037 0.000 1.029 415 T CA -0.077 62.015 62.100 -0.012 0.000 0.916 415 T CB 0.263 69.124 68.868 -0.012 0.000 1.041 415 T HN 0.316 nan 8.240 nan 0.000 0.562 416 G N 0.544 109.353 108.800 0.014 0.000 2.756 416 G HA2 0.528 4.489 3.960 0.003 0.000 0.203 416 G HA3 0.528 4.489 3.960 0.003 0.000 0.203 416 G C -0.782 174.021 174.900 -0.161 0.000 2.015 416 G CA -0.582 44.533 45.100 0.025 0.000 0.835 416 G HN 0.454 nan 8.290 nan 0.000 0.648 417 Y N -0.557 119.776 120.300 0.054 0.000 2.598 417 Y HA 0.679 5.231 4.550 0.003 0.000 0.340 417 Y C 0.298 176.233 175.900 0.059 0.000 1.038 417 Y CA -0.530 57.592 58.100 0.036 0.000 1.100 417 Y CB 2.462 40.937 38.460 0.025 0.000 1.281 417 Y HN 0.577 nan 8.280 nan 0.000 0.488 418 A N -0.103 122.810 122.820 0.155 0.000 2.539 418 A HA 0.608 4.930 4.320 0.003 0.000 0.296 418 A C 0.490 178.054 177.584 -0.033 0.000 1.073 418 A CA -0.314 51.779 52.037 0.093 0.000 0.700 418 A CB 0.976 19.993 19.000 0.028 0.000 1.296 418 A HN 1.476 nan 8.150 nan 0.000 0.405 419 G N -0.685 108.050 108.800 -0.110 0.000 2.189 419 G HA2 0.339 4.300 3.960 0.003 0.000 0.267 419 G HA3 0.339 4.300 3.960 0.003 0.000 0.267 419 G C 1.386 175.664 174.900 -1.038 0.000 0.975 419 G CA 1.205 46.068 45.100 -0.396 0.000 0.644 419 G HN 2.911 nan 8.290 nan 0.000 0.537 420 G N -1.779 106.321 108.800 -1.166 0.000 2.324 420 G HA2 0.544 4.506 3.960 0.003 0.000 0.293 420 G HA3 0.544 4.506 3.960 0.003 0.000 0.293 420 G C -0.796 173.810 174.900 -0.490 0.000 1.297 420 G CA -0.405 43.827 45.100 -1.447 0.000 0.853 420 G HN 0.595 nan 8.290 nan 0.000 0.535 421 R N 0.128 120.476 120.500 -0.254 0.000 2.357 421 R HA 0.567 4.909 4.340 0.003 0.000 0.296 421 R C 1.460 177.628 176.300 -0.220 0.000 1.052 421 R CA 0.126 56.206 56.100 -0.034 0.000 0.988 421 R CB 1.604 31.975 30.300 0.118 0.000 1.025 421 R HN 0.709 nan 8.270 nan 0.000 0.469 422 A N 2.538 125.074 122.820 -0.473 0.000 1.908 422 A HA -0.225 4.097 4.320 0.003 0.000 0.218 422 A C 1.411 178.768 177.584 -0.379 0.000 1.181 422 A CA 1.974 53.532 52.037 -0.799 0.000 0.627 422 A CB -0.441 17.676 19.000 -1.470 0.000 0.818 422 A HN 0.900 nan 8.150 nan 0.000 0.445 423 D N -1.321 118.915 120.400 -0.273 0.000 2.378 423 D HA -0.014 4.628 4.640 0.003 0.000 0.227 423 D C 1.187 177.439 176.300 -0.080 0.000 1.012 423 D CA 0.563 54.474 54.000 -0.148 0.000 0.905 423 D CB -0.311 40.419 40.800 -0.116 0.000 0.895 423 D HN 0.207 nan 8.370 nan 0.000 0.532 424 R N -1.170 119.281 120.500 -0.082 0.000 2.543 424 R HA 0.513 4.855 4.340 0.003 0.000 0.323 424 R C 1.424 177.695 176.300 -0.049 0.000 1.002 424 R CA 0.291 56.368 56.100 -0.039 0.000 1.106 424 R CB -0.093 30.202 30.300 -0.009 0.000 1.280 424 R HN 0.492 nan 8.270 nan 0.000 0.549 425 G N -0.192 108.571 108.800 -0.062 0.000 2.157 425 G HA2 -0.217 3.745 3.960 0.003 0.000 0.239 425 G HA3 -0.217 3.745 3.960 0.003 0.000 0.239 425 G C 0.379 175.267 174.900 -0.019 0.000 0.982 425 G CA -0.052 45.030 45.100 -0.031 0.000 0.650 425 G HN 0.838 nan 8.290 nan 0.000 0.527 426 A N 0.085 122.876 122.820 -0.048 0.000 2.448 426 A HA 0.570 4.892 4.320 0.003 0.000 0.239 426 A C 0.792 178.474 177.584 0.163 0.000 1.080 426 A CA 0.977 53.009 52.037 -0.008 0.000 0.779 426 A CB 0.379 19.338 19.000 -0.069 0.000 1.026 426 A HN 0.936 nan 8.150 nan 0.000 0.499 427 K N 1.042 121.507 120.400 0.109 0.000 2.118 427 K HA 0.356 4.678 4.320 0.003 0.000 0.264 427 K C 0.308 176.920 176.600 0.020 0.000 1.000 427 K CA -0.517 55.817 56.287 0.078 0.000 0.929 427 K CB 1.193 33.695 32.500 0.003 0.000 1.021 427 K HN 0.792 nan 8.250 nan 0.000 0.463 428 R N 0.446 120.812 120.500 -0.224 0.000 2.707 428 R HA 0.223 4.565 4.340 0.003 0.000 0.270 428 R C 0.647 176.792 176.300 -0.260 0.000 1.083 428 R CA -0.670 55.096 56.100 -0.557 0.000 1.182 428 R CB 0.157 30.092 30.300 -0.609 0.000 1.084 428 R HN 0.476 nan 8.270 nan 0.000 0.528 429 M N 2.964 122.421 119.600 -0.239 0.000 2.356 429 M HA 0.102 4.584 4.480 0.003 0.000 0.348 429 M C -2.184 174.039 176.300 -0.129 0.000 1.595 429 M CA -1.558 53.662 55.300 -0.132 0.000 1.095 429 M CB 0.439 32.980 32.600 -0.098 0.000 1.963 429 M HN 0.218 nan 8.290 nan 0.000 0.459 430 P HA -0.077 nan 4.420 nan 0.000 0.261 430 P C 0.434 177.677 177.300 -0.095 0.000 1.183 430 P CA -0.065 62.979 63.100 -0.093 0.000 0.761 430 P CB 0.406 32.059 31.700 -0.079 0.000 0.785 431 L N 5.043 126.211 121.223 -0.092 0.000 2.127 431 L HA -0.155 4.187 4.340 0.003 0.000 0.211 431 L C 2.282 179.098 176.870 -0.090 0.000 1.089 431 L CA 1.784 56.569 54.840 -0.092 0.000 0.757 431 L CB -0.676 41.330 42.059 -0.089 0.000 0.899 431 L HN 0.305 nan 8.230 nan 0.000 0.434 432 R N -1.066 119.383 120.500 -0.084 0.000 2.091 432 R HA -0.146 4.196 4.340 0.003 0.000 0.238 432 R C 2.074 178.319 176.300 -0.092 0.000 1.136 432 R CA 1.933 57.983 56.100 -0.083 0.000 0.959 432 R CB -0.304 29.953 30.300 -0.072 0.000 0.856 432 R HN 0.364 nan 8.270 nan 0.000 0.437 433 V N 0.309 120.166 119.914 -0.096 0.000 2.261 433 V HA -0.257 3.864 4.120 0.003 0.000 0.246 433 V C 2.250 178.276 176.094 -0.112 0.000 1.047 433 V CA 2.399 64.633 62.300 -0.109 0.000 1.015 433 V CB -0.676 31.079 31.823 -0.114 0.000 0.642 433 V HN 0.474 nan 8.190 nan 0.000 0.446 434 T N -0.373 114.120 114.554 -0.102 0.000 2.720 434 T HA -0.219 4.132 4.350 0.003 0.000 0.268 434 T C 2.053 176.691 174.700 -0.103 0.000 1.037 434 T CA 1.615 63.657 62.100 -0.097 0.000 1.144 434 T CB -0.264 68.555 68.868 -0.082 0.000 0.864 434 T HN 0.411 nan 8.240 nan 0.000 0.444 435 R N 0.816 121.256 120.500 -0.101 0.000 2.075 435 R HA 0.072 4.414 4.340 0.003 0.000 0.232 435 R C 2.846 179.084 176.300 -0.104 0.000 1.126 435 R CA 1.203 57.243 56.100 -0.099 0.000 0.963 435 R CB -0.440 29.800 30.300 -0.101 0.000 0.858 435 R HN 0.366 nan 8.270 nan 0.000 0.435 436 A N 1.180 123.935 122.820 -0.108 0.000 1.933 436 A HA -0.133 4.189 4.320 0.003 0.000 0.218 436 A C 2.124 179.622 177.584 -0.142 0.000 1.175 436 A CA 1.161 53.131 52.037 -0.111 0.000 0.628 436 A CB -0.445 18.486 19.000 -0.115 0.000 0.814 436 A HN 0.179 nan 8.150 nan 0.000 0.444 437 I N -0.355 120.118 120.570 -0.161 0.000 2.226 437 I HA -0.256 3.916 4.170 0.003 0.000 0.245 437 I C 2.252 178.200 176.117 -0.281 0.000 1.100 437 I CA 1.348 62.523 61.300 -0.207 0.000 1.374 437 I CB -0.306 37.584 38.000 -0.182 0.000 1.057 437 I HN 0.301 nan 8.210 nan 0.000 0.413 438 I N 0.535 120.957 120.570 -0.247 0.000 2.286 438 I HA -0.285 3.887 4.170 0.003 0.000 0.248 438 I C 1.969 177.884 176.117 -0.337 0.000 1.115 438 I CA 1.200 62.297 61.300 -0.339 0.000 1.392 438 I CB -0.489 37.418 38.000 -0.154 0.000 1.065 438 I HN 0.241 nan 8.210 nan 0.000 0.418 439 D N 1.191 121.501 120.400 -0.150 0.000 2.144 439 D HA -0.136 4.506 4.640 0.003 0.000 0.199 439 D C 2.237 178.484 176.300 -0.089 0.000 0.984 439 D CA 1.507 55.482 54.000 -0.043 0.000 0.834 439 D CB -0.054 40.739 40.800 -0.012 0.000 0.955 439 D HN 0.355 nan 8.370 nan 0.000 0.465 440 A N 0.396 123.116 122.820 -0.166 0.000 2.014 440 A HA -0.046 4.276 4.320 0.003 0.000 0.218 440 A C 2.309 179.749 177.584 -0.240 0.000 1.163 440 A CA 0.472 52.413 52.037 -0.160 0.000 0.652 440 A CB -0.418 18.480 19.000 -0.169 0.000 0.808 440 A HN 0.167 nan 8.150 nan 0.000 0.449 441 I N -1.368 118.931 120.570 -0.450 0.000 2.286 441 I HA -0.213 3.959 4.170 0.003 0.000 0.245 441 I C 2.247 178.174 176.117 -0.317 0.000 1.104 441 I CA 1.343 62.251 61.300 -0.653 0.000 1.397 441 I CB -0.459 36.866 38.000 -1.124 0.000 1.072 441 I HN 0.453 nan 8.210 nan 0.000 0.417 442 H N 0.279 119.246 119.070 -0.172 0.000 2.462 442 H HA -0.131 4.427 4.556 0.003 0.000 0.292 442 H C 1.551 176.853 175.328 -0.044 0.000 1.049 442 H CA 1.104 57.100 56.048 -0.086 0.000 1.334 442 H CB 0.056 29.783 29.762 -0.058 0.000 1.404 442 H HN 0.463 nan 8.280 nan 0.000 0.544 443 D N -0.771 119.666 120.400 0.062 0.000 2.347 443 D HA 0.016 4.658 4.640 0.003 0.000 0.213 443 D C 1.804 178.127 176.300 0.039 0.000 0.985 443 D CA 0.819 54.845 54.000 0.044 0.000 0.879 443 D CB -0.103 40.713 40.800 0.028 0.000 0.919 443 D HN 0.391 nan 8.370 nan 0.000 0.526 444 G N -0.143 108.680 108.800 0.038 0.000 2.179 444 G HA2 -0.382 3.580 3.960 0.003 0.000 0.260 444 G HA3 -0.382 3.580 3.960 0.003 0.000 0.260 444 G C 1.256 176.201 174.900 0.076 0.000 0.977 444 G CA 1.211 46.352 45.100 0.067 0.000 0.641 444 G HN 0.617 nan 8.290 nan 0.000 0.533 445 T N -1.173 113.411 114.554 0.050 0.000 2.857 445 T HA 0.175 4.527 4.350 0.003 0.000 0.266 445 T C 2.349 177.105 174.700 0.093 0.000 1.048 445 T CA 1.331 63.470 62.100 0.065 0.000 1.139 445 T CB -0.104 68.796 68.868 0.053 0.000 0.874 445 T HN 0.363 nan 8.240 nan 0.000 0.455 446 L N 1.029 122.293 121.223 0.068 0.000 2.131 446 L HA -0.065 4.277 4.340 0.003 0.000 0.210 446 L C 2.457 179.567 176.870 0.401 0.000 1.092 446 L CA 1.729 56.649 54.840 0.135 0.000 0.759 446 L CB -0.395 41.634 42.059 -0.049 0.000 0.903 446 L HN 0.277 nan 8.230 nan 0.000 0.435 447 D N -0.342 120.297 120.400 0.399 0.000 2.347 447 D HA -0.103 4.539 4.640 0.003 0.000 0.215 447 D C 1.857 178.323 176.300 0.276 0.000 0.976 447 D CA 0.767 55.018 54.000 0.418 0.000 0.884 447 D CB 0.266 41.264 40.800 0.331 0.000 0.915 447 D HN 0.172 nan 8.370 nan 0.000 0.526 448 R N -0.550 120.080 120.500 0.217 0.000 2.397 448 R HA 0.135 4.477 4.340 0.003 0.000 0.241 448 R C 0.622 177.006 176.300 0.140 0.000 0.914 448 R CA 0.097 56.287 56.100 0.151 0.000 1.071 448 R CB 0.719 31.079 30.300 0.099 0.000 1.116 448 R HN 0.163 nan 8.270 nan 0.000 0.524 449 T N -1.561 113.090 114.554 0.161 0.000 2.881 449 T HA 0.259 4.611 4.350 0.003 0.000 0.278 449 T C 0.186 174.921 174.700 0.059 0.000 0.982 449 T CA -0.789 61.346 62.100 0.058 0.000 0.989 449 T CB 1.652 70.500 68.868 -0.033 0.000 1.058 449 T HN -0.036 nan 8.240 nan 0.000 0.529 450 E N 0.629 120.824 120.200 -0.008 0.000 2.313 450 E HA 0.307 4.658 4.350 0.003 0.000 0.276 450 E C -1.125 175.433 176.600 -0.070 0.000 1.031 450 E CA -0.385 56.043 56.400 0.047 0.000 0.857 450 E CB 0.634 30.355 29.700 0.035 0.000 1.040 450 E HN 0.566 nan 8.360 nan 0.000 0.408 451 Y N 0.882 121.213 120.300 0.052 0.000 2.528 451 Y HA 0.241 4.793 4.550 0.003 0.000 0.335 451 Y C 0.444 176.401 175.900 0.094 0.000 1.093 451 Y CA -0.829 57.317 58.100 0.076 0.000 1.134 451 Y CB 1.563 40.063 38.460 0.068 0.000 1.253 451 Y HN 0.475 nan 8.280 nan 0.000 0.478 452 E N -0.276 120.088 120.200 0.273 0.000 2.392 452 E HA 0.422 4.774 4.350 0.003 0.000 0.269 452 E C -1.522 175.248 176.600 0.282 0.000 0.924 452 E CA -1.222 55.312 56.400 0.223 0.000 0.784 452 E CB 2.333 32.119 29.700 0.142 0.000 1.292 452 E HN 0.595 nan 8.360 nan 0.000 0.447 453 E N 1.329 121.675 120.200 0.243 0.000 2.227 453 E HA 0.071 4.423 4.350 0.003 0.000 0.282 453 E C -1.433 175.303 176.600 0.226 0.000 1.015 453 E CA -0.773 55.748 56.400 0.202 0.000 0.823 453 E CB 0.735 30.522 29.700 0.145 0.000 1.081 453 E HN 0.510 nan 8.360 nan 0.000 0.396 454 Y N 6.958 127.300 120.300 0.070 0.000 2.504 454 Y HA 0.283 4.835 4.550 0.003 0.000 0.351 454 Y C -2.351 173.638 175.900 0.149 0.000 0.988 454 Y CA -2.978 55.190 58.100 0.114 0.000 1.239 454 Y CB 0.331 38.860 38.460 0.115 0.000 1.128 454 Y HN 0.476 nan 8.280 nan 0.000 0.525 455 P HA 0.039 nan 4.420 nan 0.000 0.264 455 P C 0.834 178.045 177.300 -0.147 0.000 1.173 455 P CA 2.368 65.455 63.100 -0.022 0.000 0.761 455 P CB 0.589 32.321 31.700 0.054 0.000 0.794 456 G N 1.579 110.278 108.800 -0.168 0.000 4.148 456 G HA2 -0.337 3.625 3.960 0.003 0.000 0.221 456 G HA3 -0.337 3.625 3.960 0.003 0.000 0.221 456 G C 1.011 175.702 174.900 -0.348 0.000 1.373 456 G CA 0.377 45.298 45.100 -0.299 0.000 0.940 456 G HN 0.499 nan 8.290 nan 0.000 0.610 457 W N 1.187 122.338 121.300 -0.248 0.000 2.425 457 W HA 0.342 5.004 4.660 0.003 0.000 0.277 457 W C 2.303 178.783 176.519 -0.064 0.000 1.231 457 W CA 1.987 59.250 57.345 -0.136 0.000 1.248 457 W CB -0.322 29.082 29.460 -0.094 0.000 1.117 457 W HN 1.560 nan 8.180 nan 0.000 0.568 458 G N 0.301 109.148 108.800 0.079 0.000 2.155 458 G HA2 -0.326 3.636 3.960 0.003 0.000 0.257 458 G HA3 -0.326 3.636 3.960 0.003 0.000 0.257 458 G C 0.116 174.944 174.900 -0.120 0.000 0.983 458 G CA -0.051 45.030 45.100 -0.032 0.000 0.676 458 G HN 0.169 nan 8.290 nan 0.000 0.528 459 L N 1.145 122.416 121.223 0.079 0.000 2.397 459 L HA 0.349 4.691 4.340 0.003 0.000 0.271 459 L C 0.614 177.434 176.870 -0.083 0.000 1.148 459 L CA -0.851 53.993 54.840 0.005 0.000 0.825 459 L CB 0.564 42.718 42.059 0.159 0.000 1.117 459 L HN 0.138 nan 8.230 nan 0.000 0.456 460 H N 4.741 123.878 119.070 0.113 0.000 2.705 460 H HA 0.350 4.908 4.556 0.003 0.000 0.291 460 H C -0.123 175.373 175.328 0.279 0.000 1.085 460 H CA -0.328 55.809 56.048 0.149 0.000 1.357 460 H CB 0.684 30.443 29.762 -0.004 0.000 1.419 460 H HN 0.448 nan 8.280 nan 0.000 0.462 461 I N 1.694 122.490 120.570 0.377 0.000 2.525 461 I HA 0.529 4.701 4.170 0.003 0.000 0.301 461 I C -2.612 173.584 176.117 0.132 0.000 0.992 461 I CA -2.741 58.713 61.300 0.257 0.000 1.162 461 I CB 2.355 40.377 38.000 0.037 0.000 1.332 461 I HN 0.175 nan 8.210 nan 0.000 0.458 462 P HA 0.141 nan 4.420 nan 0.000 0.271 462 P C -0.616 176.556 177.300 -0.213 0.000 1.216 462 P CA -0.216 62.590 63.100 -0.489 0.000 0.776 462 P CB 1.352 32.832 31.700 -0.367 0.000 0.881 463 K N 1.279 121.574 120.400 -0.174 0.000 2.314 463 K HA 0.011 4.333 4.320 0.003 0.000 0.198 463 K C 0.217 176.839 176.600 0.037 0.000 1.045 463 K CA 0.932 57.196 56.287 -0.039 0.000 0.988 463 K CB 0.051 32.548 32.500 -0.005 0.000 0.783 463 K HN 0.506 nan 8.250 nan 0.000 0.484 464 Y N -0.324 119.892 120.300 -0.141 0.000 2.519 464 Y HA 0.354 4.906 4.550 0.003 0.000 0.336 464 Y C -1.877 173.955 175.900 -0.113 0.000 1.089 464 Y CA -1.162 56.876 58.100 -0.104 0.000 1.025 464 Y CB 1.682 40.097 38.460 -0.074 0.000 1.318 464 Y HN -0.370 nan 8.280 nan 0.000 0.452 465 V N 4.656 124.019 119.914 -0.919 0.000 2.711 465 V HA 0.692 4.814 4.120 0.003 0.000 0.304 465 V C -0.327 175.240 176.094 -0.878 0.000 1.097 465 V CA -0.735 61.174 62.300 -0.652 0.000 0.906 465 V CB 1.517 33.128 31.823 -0.354 0.000 1.015 465 V HN 1.069 nan 8.190 nan 0.000 0.427 466 A N 4.027 126.545 122.820 -0.504 0.000 2.546 466 A HA 0.449 4.771 4.320 0.003 0.000 0.243 466 A C 1.005 178.464 177.584 -0.208 0.000 1.063 466 A CA 0.657 52.543 52.037 -0.251 0.000 0.757 466 A CB -0.329 18.666 19.000 -0.008 0.000 0.991 466 A HN 1.074 nan 8.150 nan 0.000 0.503 467 K N -0.769 119.538 120.400 -0.155 0.000 3.391 467 K HA -0.136 4.186 4.320 0.003 0.000 0.307 467 K C -0.636 175.879 176.600 -0.143 0.000 1.304 467 K CA 0.978 57.198 56.287 -0.112 0.000 0.904 467 K CB -2.114 30.337 32.500 -0.082 0.000 1.293 467 K HN 0.487 nan 8.250 nan 0.000 0.470 468 V N 1.047 120.833 119.914 -0.213 0.000 2.483 468 V HA 0.258 4.380 4.120 0.003 0.000 0.297 468 V C -2.191 173.788 176.094 -0.191 0.000 1.027 468 V CA -1.734 60.444 62.300 -0.203 0.000 0.855 468 V CB 1.691 33.371 31.823 -0.239 0.000 0.995 468 V HN -0.086 nan 8.190 nan 0.000 0.424 469 P HA 0.014 nan 4.420 nan 0.000 0.262 469 P C 0.956 178.179 177.300 -0.128 0.000 1.182 469 P CA 0.268 63.328 63.100 -0.068 0.000 0.761 469 P CB 0.689 32.370 31.700 -0.030 0.000 0.795 470 E N 3.566 123.755 120.200 -0.018 0.000 2.118 470 E HA -0.266 4.086 4.350 0.003 0.000 0.195 470 E C 1.400 177.981 176.600 -0.031 0.000 0.992 470 E CA 1.391 57.778 56.400 -0.022 0.000 0.804 470 E CB -0.207 29.523 29.700 0.052 0.000 0.741 470 E HN 0.627 nan 8.360 nan 0.000 0.458 471 H N -0.192 118.853 119.070 -0.042 0.000 2.545 471 H HA -0.025 4.533 4.556 0.003 0.000 0.282 471 H C 1.957 177.255 175.328 -0.050 0.000 1.020 471 H CA 0.612 56.635 56.048 -0.042 0.000 1.243 471 H CB -0.355 29.390 29.762 -0.028 0.000 1.377 471 H HN 0.228 nan 8.280 nan 0.000 0.581 472 L N 0.297 121.181 121.223 -0.565 0.000 2.354 472 L HA 0.047 4.389 4.340 0.003 0.000 0.212 472 L C 2.618 179.348 176.870 -0.233 0.000 1.091 472 L CA 0.060 54.651 54.840 -0.414 0.000 0.828 472 L CB -0.076 41.721 42.059 -0.436 0.000 0.973 472 L HN 0.135 nan 8.230 nan 0.000 0.461 473 L N -0.143 120.956 121.223 -0.207 0.000 2.127 473 L HA -0.171 4.171 4.340 0.003 0.000 0.211 473 L C 1.035 177.790 176.870 -0.191 0.000 1.089 473 L CA 0.939 55.675 54.840 -0.172 0.000 0.757 473 L CB -0.443 41.529 42.059 -0.144 0.000 0.899 473 L HN 0.319 nan 8.230 nan 0.000 0.434 474 N N -0.405 118.186 118.700 -0.180 0.000 2.558 474 N HA 0.169 4.911 4.740 0.003 0.000 0.242 474 N C -1.992 173.397 175.510 -0.202 0.000 0.979 474 N CA -1.996 50.915 53.050 -0.232 0.000 0.931 474 N CB 1.758 40.160 38.487 -0.142 0.000 1.122 474 N HN -0.241 nan 8.380 nan 0.000 0.508 475 P HA -0.238 nan 4.420 nan 0.000 0.218 475 P C 1.389 178.681 177.300 -0.013 0.000 1.154 475 P CA 1.271 64.385 63.100 0.024 0.000 0.872 475 P CB 0.305 32.094 31.700 0.149 0.000 0.790 476 R N 0.618 120.879 120.500 -0.398 0.000 2.094 476 R HA -0.201 4.140 4.340 0.003 0.000 0.239 476 R C 1.936 177.957 176.300 -0.465 0.000 1.137 476 R CA 2.128 57.599 56.100 -1.049 0.000 0.943 476 R CB -0.463 29.211 30.300 -1.044 0.000 0.850 476 R HN 0.155 nan 8.270 nan 0.000 0.433 477 K N -0.324 119.922 120.400 -0.257 0.000 2.281 477 K HA -0.114 4.208 4.320 0.003 0.000 0.203 477 K C 1.924 178.563 176.600 0.065 0.000 1.046 477 K CA 1.243 57.478 56.287 -0.087 0.000 0.938 477 K CB -0.067 32.413 32.500 -0.033 0.000 0.737 477 K HN 0.270 nan 8.250 nan 0.000 0.458 478 A N 0.598 123.494 122.820 0.126 0.000 2.016 478 A HA -0.059 4.263 4.320 0.003 0.000 0.217 478 A C 0.125 177.836 177.584 0.211 0.000 1.162 478 A CA 0.209 52.371 52.037 0.210 0.000 0.662 478 A CB -0.268 18.824 19.000 0.153 0.000 0.812 478 A HN 0.231 nan 8.150 nan 0.000 0.450 479 W N -0.355 120.954 121.300 0.016 0.000 2.190 479 W HA 0.462 5.124 4.660 0.003 0.000 0.330 479 W C 1.502 178.058 176.519 0.061 0.000 1.299 479 W CA 0.282 57.674 57.345 0.079 0.000 1.215 479 W CB 0.862 30.414 29.460 0.153 0.000 1.147 479 W HN 0.231 nan 8.180 nan 0.000 0.563 480 K N 1.504 122.050 120.400 0.244 0.000 2.076 480 K HA -0.091 4.231 4.320 0.003 0.000 0.204 480 K C 0.419 177.144 176.600 0.208 0.000 1.051 480 K CA 1.582 57.969 56.287 0.168 0.000 0.949 480 K CB -0.339 32.221 32.500 0.100 0.000 0.726 480 K HN 0.488 nan 8.250 nan 0.000 0.443 481 D N 0.329 120.907 120.400 0.296 0.000 2.441 481 D HA 0.176 4.818 4.640 0.003 0.000 0.231 481 D C 0.728 177.231 176.300 0.339 0.000 1.073 481 D CA -0.281 53.884 54.000 0.275 0.000 0.850 481 D CB 1.576 42.528 40.800 0.253 0.000 1.062 481 D HN -0.089 nan 8.370 nan 0.000 0.524 482 V N 4.480 124.555 119.914 0.270 0.000 2.469 482 V HA -0.228 3.894 4.120 0.003 0.000 0.251 482 V C 2.462 178.735 176.094 0.298 0.000 1.064 482 V CA 2.526 65.000 62.300 0.290 0.000 1.066 482 V CB -0.186 31.806 31.823 0.282 0.000 0.667 482 V HN 0.501 nan 8.190 nan 0.000 0.461 483 R N -0.754 119.887 120.500 0.235 0.000 2.081 483 R HA -0.154 4.188 4.340 0.003 0.000 0.235 483 R C 2.248 178.649 176.300 0.167 0.000 1.131 483 R CA 2.266 58.477 56.100 0.184 0.000 0.960 483 R CB -0.956 29.433 30.300 0.148 0.000 0.856 483 R HN 0.854 nan 8.270 nan 0.000 0.436 484 Q N -1.091 118.847 119.800 0.230 0.000 2.119 484 Q HA -0.092 4.250 4.340 0.003 0.000 0.201 484 Q C 2.053 178.079 176.000 0.043 0.000 0.972 484 Q CA 1.987 57.945 55.803 0.259 0.000 0.847 484 Q CB -0.316 28.705 28.738 0.472 0.000 0.903 484 Q HN 0.618 nan 8.270 nan 0.000 0.433 485 F N 2.045 121.855 119.950 -0.235 0.000 2.102 485 F HA -0.209 4.319 4.527 0.003 0.000 0.298 485 F C 1.772 177.321 175.800 -0.418 0.000 1.105 485 F CA 1.255 58.709 58.000 -0.909 0.000 1.239 485 F CB -0.100 38.459 39.000 -0.734 0.000 0.991 485 F HN 0.014 nan 8.300 nan 0.000 0.474 486 N N 0.896 119.491 118.700 -0.176 0.000 2.084 486 N HA -0.187 4.554 4.740 0.003 0.000 0.190 486 N C 1.758 177.128 175.510 -0.232 0.000 1.030 486 N CA 1.853 54.850 53.050 -0.089 0.000 0.849 486 N CB -0.552 38.066 38.487 0.218 0.000 1.012 486 N HN 0.530 nan 8.380 nan 0.000 0.423 487 E N -0.227 119.870 120.200 -0.171 0.000 2.110 487 E HA -0.088 4.264 4.350 0.003 0.000 0.193 487 E C 1.579 178.034 176.600 -0.242 0.000 0.988 487 E CA 1.169 57.456 56.400 -0.188 0.000 0.804 487 E CB -0.036 29.632 29.700 -0.053 0.000 0.745 487 E HN 0.324 nan 8.360 nan 0.000 0.458 488 T N 0.203 114.606 114.554 -0.250 0.000 2.812 488 T HA -0.066 4.286 4.350 0.003 0.000 0.264 488 T C 2.121 176.627 174.700 -0.323 0.000 1.042 488 T CA 1.001 62.990 62.100 -0.186 0.000 1.140 488 T CB -0.063 68.804 68.868 -0.002 0.000 0.870 488 T HN 0.027 nan 8.240 nan 0.000 0.445 489 S N 1.055 116.465 115.700 -0.484 0.000 2.368 489 S HA -0.099 4.373 4.470 0.003 0.000 0.225 489 S C 2.001 176.437 174.600 -0.273 0.000 1.030 489 S CA 1.155 59.176 58.200 -0.299 0.000 0.999 489 S CB -0.217 62.715 63.200 -0.447 0.000 0.844 489 S HN 0.485 nan 8.310 nan 0.000 0.459 490 K N 1.331 121.388 120.400 -0.573 0.000 2.032 490 K HA -0.178 4.144 4.320 0.003 0.000 0.209 490 K C 2.235 178.556 176.600 -0.465 0.000 1.048 490 K CA 1.641 57.391 56.287 -0.894 0.000 0.927 490 K CB -0.186 31.521 32.500 -1.321 0.000 0.712 490 K HN 0.434 nan 8.250 nan 0.000 0.441 491 E N 0.284 120.269 120.200 -0.358 0.000 2.051 491 E HA -0.216 4.136 4.350 0.003 0.000 0.192 491 E C 2.066 178.514 176.600 -0.253 0.000 0.991 491 E CA 1.085 57.332 56.400 -0.256 0.000 0.799 491 E CB -0.056 29.519 29.700 -0.209 0.000 0.748 491 E HN 0.265 nan 8.360 nan 0.000 0.449 492 L N 0.427 121.453 121.223 -0.328 0.000 2.093 492 L HA -0.107 4.235 4.340 0.003 0.000 0.208 492 L C 2.248 179.182 176.870 0.108 0.000 1.085 492 L CA 1.133 55.865 54.840 -0.181 0.000 0.755 492 L CB -0.346 41.602 42.059 -0.185 0.000 0.904 492 L HN 0.041 nan 8.230 nan 0.000 0.435 493 V N 0.081 119.942 119.914 -0.088 0.000 2.287 493 V HA -0.322 3.800 4.120 0.003 0.000 0.248 493 V C 2.801 178.834 176.094 -0.103 0.000 1.053 493 V CA 1.687 63.794 62.300 -0.321 0.000 1.027 493 V CB -1.383 30.146 31.823 -0.489 0.000 0.646 493 V HN 0.595 nan 8.190 nan 0.000 0.447 494 A N -0.673 122.087 122.820 -0.100 0.000 1.908 494 A HA -0.274 4.048 4.320 0.003 0.000 0.218 494 A C 2.233 179.825 177.584 0.014 0.000 1.181 494 A CA 2.379 54.383 52.037 -0.056 0.000 0.627 494 A CB -0.515 18.436 19.000 -0.081 0.000 0.818 494 A HN 0.520 nan 8.150 nan 0.000 0.445 495 M N -2.189 117.459 119.600 0.080 0.000 2.117 495 M HA -0.090 4.392 4.480 0.003 0.000 0.262 495 M C 1.968 178.284 176.300 0.026 0.000 1.065 495 M CA 1.467 56.850 55.300 0.139 0.000 1.114 495 M CB -0.393 32.398 32.600 0.319 0.000 1.361 495 M HN 0.443 nan 8.290 nan 0.000 0.408 496 F N 0.822 120.757 119.950 -0.025 0.000 2.113 496 F HA -0.219 4.310 4.527 0.003 0.000 0.297 496 F C 2.615 178.344 175.800 -0.119 0.000 1.103 496 F CA 1.632 59.566 58.000 -0.111 0.000 1.248 496 F CB -0.662 38.372 39.000 0.058 0.000 0.999 496 F HN 0.161 nan 8.300 nan 0.000 0.475 497 Q N -0.169 119.704 119.800 0.123 0.000 2.096 497 Q HA -0.228 4.114 4.340 0.003 0.000 0.204 497 Q C 2.098 178.130 176.000 0.053 0.000 0.982 497 Q CA 1.881 57.739 55.803 0.091 0.000 0.850 497 Q CB -0.326 28.424 28.738 0.020 0.000 0.901 497 Q HN 0.513 nan 8.270 nan 0.000 0.422 498 E N 0.095 120.278 120.200 -0.029 0.000 2.051 498 E HA -0.173 4.179 4.350 0.003 0.000 0.192 498 E C 2.127 178.642 176.600 -0.142 0.000 0.991 498 E CA 1.161 57.519 56.400 -0.069 0.000 0.799 498 E CB -0.115 29.543 29.700 -0.070 0.000 0.748 498 E HN 0.128 nan 8.360 nan 0.000 0.449 499 S N 0.103 115.625 115.700 -0.297 0.000 2.356 499 S HA -0.182 4.290 4.470 0.003 0.000 0.223 499 S C 1.766 176.230 174.600 -0.225 0.000 1.032 499 S CA 0.996 58.931 58.200 -0.442 0.000 1.005 499 S CB -0.309 62.218 63.200 -1.122 0.000 0.867 499 S HN 0.309 nan 8.310 nan 0.000 0.449 500 F N 2.115 121.946 119.950 -0.197 0.000 2.102 500 F HA -0.044 4.485 4.527 0.003 0.000 0.298 500 F C 2.532 178.350 175.800 0.031 0.000 1.105 500 F CA 1.872 59.898 58.000 0.044 0.000 1.239 500 F CB -0.798 38.304 39.000 0.170 0.000 0.991 500 F HN 0.187 nan 8.300 nan 0.000 0.474 501 S N 0.249 115.954 115.700 0.009 0.000 2.382 501 S HA -0.141 4.331 4.470 0.003 0.000 0.228 501 S C 2.260 176.749 174.600 -0.186 0.000 1.027 501 S CA 1.018 59.165 58.200 -0.088 0.000 0.991 501 S CB -0.775 62.427 63.200 0.003 0.000 0.823 501 S HN 0.516 nan 8.310 nan 0.000 0.469 502 A N 1.425 124.130 122.820 -0.192 0.000 1.968 502 A HA 0.008 4.330 4.320 0.003 0.000 0.217 502 A C 2.137 179.532 177.584 -0.314 0.000 1.169 502 A CA 0.982 52.892 52.037 -0.213 0.000 0.638 502 A CB -0.186 18.702 19.000 -0.186 0.000 0.812 502 A HN 0.437 nan 8.150 nan 0.000 0.446 503 R N -2.654 117.564 120.500 -0.469 0.000 2.167 503 R HA 0.276 4.618 4.340 0.003 0.000 0.201 503 R C 0.820 176.521 176.300 -0.998 0.000 1.024 503 R CA 1.096 56.713 56.100 -0.806 0.000 1.053 503 R CB 0.030 29.626 30.300 -1.174 0.000 0.987 503 R HN 0.545 nan 8.270 nan 0.000 0.493 504 F N -1.090 118.571 119.950 -0.482 0.000 2.834 504 F HA 0.426 4.955 4.527 0.003 0.000 0.332 504 F C 1.936 177.329 175.800 -0.678 0.000 1.056 504 F CA -0.064 57.619 58.000 -0.528 0.000 1.178 504 F CB -0.126 38.580 39.000 -0.490 0.000 1.037 504 F HN -0.088 nan 8.300 nan 0.000 0.580 505 A N 1.405 123.754 122.820 -0.784 0.000 1.881 505 A HA -0.264 4.058 4.320 0.003 0.000 0.219 505 A C 2.478 179.990 177.584 -0.120 0.000 1.215 505 A CA 2.854 54.629 52.037 -0.436 0.000 0.648 505 A CB -1.386 17.488 19.000 -0.211 0.000 0.832 505 A HN 0.342 nan 8.150 nan 0.000 0.455 506 A N -0.532 122.217 122.820 -0.117 0.000 1.884 506 A HA -0.257 4.065 4.320 0.003 0.000 0.219 506 A C 2.029 179.595 177.584 -0.030 0.000 1.197 506 A CA 2.256 54.257 52.037 -0.060 0.000 0.637 506 A CB -0.490 18.465 19.000 -0.075 0.000 0.827 506 A HN 0.621 nan 8.150 nan 0.000 0.450 507 K N -0.614 119.764 120.400 -0.036 0.000 2.374 507 K HA 0.438 4.760 4.320 0.003 0.000 0.196 507 K C 0.524 177.147 176.600 0.039 0.000 1.023 507 K CA 0.195 56.478 56.287 -0.006 0.000 1.103 507 K CB 0.206 32.690 32.500 -0.027 0.000 0.848 507 K HN 0.457 nan 8.250 nan 0.000 0.528 508 A N 1.944 124.804 122.820 0.067 0.000 2.483 508 A HA 0.176 4.498 4.320 0.003 0.000 0.238 508 A C 0.612 178.282 177.584 0.143 0.000 1.070 508 A CA -0.287 51.847 52.037 0.161 0.000 0.770 508 A CB 0.217 19.420 19.000 0.337 0.000 1.008 508 A HN 0.317 nan 8.150 nan 0.000 0.497 509 S N 0.839 116.623 115.700 0.139 0.000 2.624 509 S HA 0.195 4.667 4.470 0.003 0.000 0.263 509 S C 0.920 175.582 174.600 0.103 0.000 1.287 509 S CA 0.333 58.591 58.200 0.097 0.000 0.990 509 S CB 0.765 64.013 63.200 0.079 0.000 0.950 509 S HN 0.779 nan 8.310 nan 0.000 0.561 510 Q N 0.413 120.252 119.800 0.066 0.000 2.119 510 Q HA -0.109 4.232 4.340 0.003 0.000 0.201 510 Q C 1.989 178.012 176.000 0.037 0.000 0.972 510 Q CA 2.148 57.981 55.803 0.049 0.000 0.847 510 Q CB -0.451 28.305 28.738 0.029 0.000 0.903 510 Q HN 0.916 nan 8.270 nan 0.000 0.433 511 E N -0.981 119.244 120.200 0.042 0.000 2.072 511 E HA -0.212 4.140 4.350 0.003 0.000 0.191 511 E C 1.769 178.390 176.600 0.034 0.000 0.985 511 E CA 1.278 57.697 56.400 0.032 0.000 0.801 511 E CB -0.088 29.637 29.700 0.042 0.000 0.750 511 E HN 0.405 nan 8.360 nan 0.000 0.452 512 M N 1.136 120.788 119.600 0.088 0.000 2.099 512 M HA -0.124 4.358 4.480 0.003 0.000 0.262 512 M C 1.720 178.022 176.300 0.003 0.000 1.067 512 M CA 1.767 57.149 55.300 0.137 0.000 1.124 512 M CB 0.058 32.824 32.600 0.275 0.000 1.353 512 M HN -0.116 nan 8.290 nan 0.000 0.410 513 K N -0.851 119.586 120.400 0.063 0.000 2.147 513 K HA -0.044 4.278 4.320 0.003 0.000 0.205 513 K C 1.845 178.326 176.600 -0.199 0.000 1.049 513 K CA 1.526 57.789 56.287 -0.041 0.000 0.936 513 K CB -0.263 32.305 32.500 0.113 0.000 0.722 513 K HN 0.313 nan 8.250 nan 0.000 0.446 514 S N 0.759 116.377 115.700 -0.138 0.000 2.474 514 S HA -0.050 4.421 4.470 0.003 0.000 0.235 514 S C 1.823 176.270 174.600 -0.256 0.000 0.997 514 S CA 0.860 58.968 58.200 -0.154 0.000 0.949 514 S CB 0.029 63.181 63.200 -0.080 0.000 0.766 514 S HN 0.389 nan 8.310 nan 0.000 0.517 515 A N 0.951 123.541 122.820 -0.383 0.000 2.169 515 A HA 0.235 4.557 4.320 0.003 0.000 0.212 515 A C 0.892 177.810 177.584 -1.110 0.000 1.153 515 A CA 0.047 51.731 52.037 -0.589 0.000 0.756 515 A CB -0.193 18.498 19.000 -0.516 0.000 0.813 515 A HN 0.258 nan 8.150 nan 0.000 0.471 516 V N 3.425 122.721 119.914 -1.030 0.000 2.540 516 V HA 0.093 4.215 4.120 0.003 0.000 0.297 516 V C -1.703 174.062 176.094 -0.548 0.000 1.024 516 V CA -1.001 60.759 62.300 -0.900 0.000 1.105 516 V CB 0.337 31.812 31.823 -0.579 0.000 0.938 516 V HN 0.411 nan 8.190 nan 0.000 0.482 517 P HA 0.320 nan 4.420 nan 0.000 0.274 517 P C -0.646 176.354 177.300 -0.500 0.000 1.237 517 P CA -0.344 62.450 63.100 -0.510 0.000 0.793 517 P CB 0.926 32.148 31.700 -0.796 0.000 0.977 518 R N 0.726 120.931 120.500 -0.493 0.000 2.807 518 R HA 0.456 4.798 4.340 0.003 0.000 0.276 518 R C -1.110 174.957 176.300 -0.388 0.000 0.979 518 R CA -1.040 54.843 56.100 -0.360 0.000 0.928 518 R CB -0.105 30.046 30.300 -0.248 0.000 1.191 518 R HN 0.581 nan 8.270 nan 0.000 0.471 519 Y N 1.048 121.122 120.300 -0.377 0.000 2.365 519 Y HA 0.604 5.155 4.550 0.003 0.000 0.340 519 Y C -0.860 174.908 175.900 -0.219 0.000 1.016 519 Y CA -1.141 56.759 58.100 -0.333 0.000 1.196 519 Y CB 1.192 39.496 38.460 -0.261 0.000 1.167 519 Y HN 0.584 nan 8.280 nan 0.000 0.509 520 V N 7.517 126.950 119.914 -0.802 0.000 2.357 520 V HA 0.151 4.273 4.120 0.003 0.000 0.281 520 V C -0.212 175.429 176.094 -0.756 0.000 1.015 520 V CA -1.180 60.706 62.300 -0.690 0.000 0.827 520 V CB 1.174 32.807 31.823 -0.317 0.000 1.018 520 V HN 0.798 nan 8.190 nan 0.000 0.432 521 E N 3.823 123.458 120.200 -0.941 0.000 2.465 521 E HA -0.000 4.351 4.350 0.003 0.000 0.260 521 E C -0.944 175.604 176.600 -0.086 0.000 0.980 521 E CA -0.282 55.886 56.400 -0.387 0.000 0.927 521 E CB 0.526 30.123 29.700 -0.172 0.000 0.934 521 E HN 0.507 nan 8.360 nan 0.000 0.459 522 F N 4.605 124.567 119.950 0.020 0.000 2.413 522 F HA 0.453 4.982 4.527 0.003 0.000 0.359 522 F C -0.338 175.492 175.800 0.052 0.000 1.122 522 F CA -0.258 57.778 58.000 0.060 0.000 1.160 522 F CB 0.274 39.369 39.000 0.158 0.000 1.146 522 F HN 0.484 nan 8.300 nan 0.000 0.514 523 A N 0.000 122.434 122.820 -0.643 0.000 2.254 523 A HA 0.000 4.322 4.320 0.003 0.000 0.244 523 A CA 0.000 51.777 52.037 -0.434 0.000 0.836 523 A CB 0.000 18.880 19.000 -0.200 0.000 0.831 523 A HN 0.000 nan 8.150 nan 0.000 0.486