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 2xuf_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSAFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLL 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.718 29.700 0.031 0.000 0.812 5 D N 6.124 126.557 120.400 0.055 0.000 2.336 5 D HA 0.179 4.843 4.640 0.040 0.000 0.249 5 D C -1.419 174.925 176.300 0.073 0.000 1.213 5 D CA -2.144 51.903 54.000 0.078 0.000 0.870 5 D CB 1.468 42.341 40.800 0.122 0.000 1.076 5 D HN 0.259 nan 8.370 nan 0.000 0.483 6 P HA -0.157 nan 4.420 nan 0.000 0.219 6 P C 1.070 178.392 177.300 0.037 0.000 1.146 6 P CA 0.798 63.919 63.100 0.034 0.000 0.808 6 P CB 0.476 32.182 31.700 0.011 0.000 0.779 7 Q N -0.578 119.233 119.800 0.019 0.000 2.364 7 Q HA 0.009 4.373 4.340 0.040 0.000 0.209 7 Q C 1.872 177.966 176.000 0.156 0.000 0.977 7 Q CA 0.863 56.666 55.803 -0.000 0.000 0.885 7 Q CB -0.267 28.331 28.738 -0.234 0.000 0.941 7 Q HN 0.428 nan 8.270 nan 0.000 0.464 8 L N 0.072 121.397 121.223 0.171 0.000 2.700 8 L HA 0.197 4.561 4.340 0.040 0.000 0.234 8 L C -0.081 176.961 176.870 0.288 0.000 1.156 8 L CA -0.268 54.689 54.840 0.195 0.000 0.946 8 L CB 0.490 42.594 42.059 0.074 0.000 1.216 8 L HN 0.010 nan 8.230 nan 0.000 0.493 9 L N 0.865 122.225 121.223 0.228 0.000 2.342 9 L HA 0.563 4.926 4.340 0.040 0.000 0.276 9 L C -0.722 176.201 176.870 0.087 0.000 0.997 9 L CA -0.359 54.585 54.840 0.174 0.000 0.838 9 L CB 1.620 43.738 42.059 0.099 0.000 1.224 9 L HN -0.295 nan 8.230 nan 0.000 0.416 10 V N 4.758 124.697 119.914 0.041 0.000 2.735 10 V HA 0.573 4.717 4.120 0.040 0.000 0.310 10 V C -0.300 175.722 176.094 -0.119 0.000 1.061 10 V CA -0.838 61.343 62.300 -0.197 0.000 0.913 10 V CB 2.092 33.511 31.823 -0.672 0.000 1.005 10 V HN 0.710 nan 8.190 nan 0.000 0.428 11 R N 3.120 123.527 120.500 -0.156 0.000 2.229 11 R HA 0.684 5.048 4.340 0.040 0.000 0.332 11 R C -0.635 175.579 176.300 -0.143 0.000 0.989 11 R CA -0.325 55.716 56.100 -0.099 0.000 0.842 11 R CB 1.274 31.521 30.300 -0.089 0.000 1.119 11 R HN 0.722 nan 8.270 nan 0.000 0.456 12 V N 1.923 121.805 119.914 -0.054 0.000 3.093 12 V HA 0.442 4.586 4.120 0.040 0.000 0.320 12 V C 1.296 177.322 176.094 -0.112 0.000 1.093 12 V CA -0.912 61.358 62.300 -0.049 0.000 1.016 12 V CB 1.768 33.715 31.823 0.208 0.000 1.096 12 V HN 0.778 nan 8.190 nan 0.000 0.452 13 R N 1.620 122.039 120.500 -0.135 0.000 2.133 13 R HA -0.118 4.246 4.340 0.040 0.000 0.247 13 R C 1.917 178.080 176.300 -0.228 0.000 1.151 13 R CA 1.843 57.852 56.100 -0.151 0.000 0.971 13 R CB -0.945 29.285 30.300 -0.117 0.000 0.866 13 R HN 0.999 nan 8.270 nan 0.000 0.447 14 G N -0.558 108.045 108.800 -0.329 0.000 3.042 14 G HA2 0.332 4.316 3.960 0.040 0.000 0.212 14 G HA3 0.332 4.316 3.960 0.040 0.000 0.212 14 G C 0.440 174.400 174.900 -1.567 0.000 1.166 14 G CA 0.532 45.174 45.100 -0.765 0.000 0.767 14 G HN 0.633 nan 8.290 nan 0.000 0.546 15 G N -0.855 107.357 108.800 -0.979 0.000 2.293 15 G HA2 0.032 4.016 3.960 0.040 0.000 0.282 15 G HA3 0.032 4.016 3.960 0.040 0.000 0.282 15 G C -1.050 173.820 174.900 -0.051 0.000 1.299 15 G CA -0.946 43.707 45.100 -0.744 0.000 1.018 15 G HN 0.290 nan 8.290 nan 0.000 0.478 16 Q N -0.452 119.508 119.800 0.266 0.000 2.222 16 Q HA 0.726 5.090 4.340 0.040 0.000 0.252 16 Q C -0.507 175.793 176.000 0.500 0.000 0.926 16 Q CA -0.377 55.624 55.803 0.329 0.000 0.899 16 Q CB 1.962 30.816 28.738 0.194 0.000 1.250 16 Q HN 0.477 nan 8.270 nan 0.000 0.441 17 L N 1.101 122.530 121.223 0.342 0.000 2.388 17 L HA 0.615 4.979 4.340 0.040 0.000 0.264 17 L C -0.464 176.588 176.870 0.303 0.000 0.998 17 L CA -0.793 54.245 54.840 0.330 0.000 0.817 17 L CB 2.294 44.593 42.059 0.400 0.000 1.338 17 L HN 0.411 nan 8.230 nan 0.000 0.414 18 R N 0.649 121.298 120.500 0.248 0.000 2.409 18 R HA 0.615 4.979 4.340 0.040 0.000 0.313 18 R C -0.307 176.060 176.300 0.112 0.000 0.953 18 R CA -0.326 55.886 56.100 0.186 0.000 0.849 18 R CB 1.789 32.141 30.300 0.088 0.000 1.171 18 R HN 0.858 nan 8.270 nan 0.000 0.458 19 G N 3.204 111.993 108.800 -0.019 0.000 2.532 19 G HA2 0.451 4.435 3.960 0.040 0.000 0.291 19 G HA3 0.451 4.435 3.960 0.040 0.000 0.291 19 G C -0.873 173.829 174.900 -0.330 0.000 1.349 19 G CA -0.634 44.170 45.100 -0.492 0.000 1.038 19 G HN 0.576 nan 8.290 nan 0.000 0.518 20 I N -0.807 119.526 120.570 -0.394 0.000 2.582 20 I HA 0.484 4.678 4.170 0.040 0.000 0.292 20 I C -0.129 175.851 176.117 -0.229 0.000 1.066 20 I CA -1.083 60.069 61.300 -0.246 0.000 1.053 20 I CB 1.998 39.866 38.000 -0.219 0.000 1.241 20 I HN 0.449 nan 8.210 nan 0.000 0.421 21 R N 7.841 128.241 120.500 -0.167 0.000 2.296 21 R HA 0.472 4.835 4.340 0.040 0.000 0.323 21 R C -1.518 174.679 176.300 -0.173 0.000 1.067 21 R CA -0.233 55.753 56.100 -0.190 0.000 0.946 21 R CB 0.473 30.615 30.300 -0.264 0.000 0.991 21 R HN 0.638 nan 8.270 nan 0.000 0.448 22 L N 3.749 124.888 121.223 -0.140 0.000 2.334 22 L HA 0.439 4.803 4.340 0.040 0.000 0.272 22 L C 0.054 176.855 176.870 -0.116 0.000 1.020 22 L CA -0.928 53.848 54.840 -0.106 0.000 0.812 22 L CB 1.836 43.867 42.059 -0.046 0.000 1.264 22 L HN 0.551 nan 8.230 nan 0.000 0.439 23 K N 1.601 121.937 120.400 -0.106 0.000 2.227 23 K HA 0.634 4.978 4.320 0.040 0.000 0.280 23 K C -0.867 175.666 176.600 -0.112 0.000 1.041 23 K CA -0.305 55.922 56.287 -0.101 0.000 0.905 23 K CB 1.436 33.889 32.500 -0.078 0.000 1.068 23 K HN 0.720 nan 8.250 nan 0.000 0.470 24 A N 4.976 127.733 122.820 -0.104 0.000 2.356 24 A HA 0.494 4.838 4.320 0.040 0.000 0.323 24 A C -1.953 175.621 177.584 -0.017 0.000 1.119 24 A CA -1.619 50.349 52.037 -0.116 0.000 0.790 24 A CB 1.023 19.927 19.000 -0.160 0.000 1.273 24 A HN 0.652 nan 8.150 nan 0.000 0.452 25 P HA -0.167 nan 4.420 nan 0.000 0.216 25 P C 1.349 178.674 177.300 0.040 0.000 1.150 25 P CA 2.192 65.330 63.100 0.064 0.000 0.843 25 P CB 0.071 31.837 31.700 0.111 0.000 0.787 26 G N -1.254 107.573 108.800 0.044 0.000 2.551 26 G HA2 0.358 4.341 3.960 0.040 0.000 0.216 26 G HA3 0.358 4.341 3.960 0.040 0.000 0.216 26 G C 0.700 175.613 174.900 0.023 0.000 1.137 26 G CA 0.695 45.816 45.100 0.034 0.000 0.798 26 G HN 0.695 nan 8.290 nan 0.000 0.536 27 G N -0.901 107.905 108.800 0.010 0.000 2.324 27 G HA2 0.398 4.382 3.960 0.040 0.000 0.293 27 G HA3 0.398 4.382 3.960 0.040 0.000 0.293 27 G C -3.318 171.566 174.900 -0.027 0.000 1.297 27 G CA -0.684 44.415 45.100 -0.002 0.000 0.853 27 G HN 0.017 nan 8.290 nan 0.000 0.535 28 P HA 0.457 nan 4.420 nan 0.000 0.272 28 P C 0.011 177.305 177.300 -0.011 0.000 1.223 28 P CA -0.041 62.973 63.100 -0.142 0.000 0.784 28 P CB 1.478 32.929 31.700 -0.415 0.000 0.923 29 V N -1.145 118.761 119.914 -0.013 0.000 3.040 29 V HA 0.663 4.806 4.120 0.040 0.000 0.312 29 V C -0.526 175.643 176.094 0.126 0.000 1.115 29 V CA -0.870 61.508 62.300 0.129 0.000 0.998 29 V CB 2.028 33.936 31.823 0.142 0.000 1.042 29 V HN 0.424 nan 8.190 nan 0.000 0.433 30 S N 2.174 118.010 115.700 0.227 0.000 2.442 30 S HA 0.867 5.361 4.470 0.040 0.000 0.297 30 S C 0.034 174.607 174.600 -0.044 0.000 1.131 30 S CA -0.018 58.239 58.200 0.096 0.000 1.092 30 S CB 1.227 64.575 63.200 0.248 0.000 0.998 30 S HN 1.569 nan 8.310 nan 0.000 0.478 31 A N 2.721 125.331 122.820 -0.350 0.000 2.342 31 A HA 0.832 5.176 4.320 0.040 0.000 0.323 31 A C -1.159 175.981 177.584 -0.740 0.000 1.125 31 A CA -0.650 51.089 52.037 -0.495 0.000 0.785 31 A CB 0.433 19.120 19.000 -0.520 0.000 1.221 31 A HN 0.684 nan 8.150 nan 0.000 0.463 32 F N 2.529 122.316 119.950 -0.272 0.000 2.430 32 F HA 0.477 5.027 4.527 0.040 0.000 0.362 32 F C -0.270 175.352 175.800 -0.297 0.000 1.103 32 F CA -0.315 57.596 58.000 -0.149 0.000 1.045 32 F CB 1.244 40.305 39.000 0.101 0.000 1.276 32 F HN 0.334 nan 8.300 nan 0.000 0.444 33 L N 2.085 123.163 121.223 -0.241 0.000 2.325 33 L HA 0.776 5.140 4.340 0.040 0.000 0.278 33 L C 0.858 177.634 176.870 -0.157 0.000 1.023 33 L CA -1.086 53.561 54.840 -0.321 0.000 0.811 33 L CB 1.708 43.378 42.059 -0.648 0.000 1.249 33 L HN 0.806 nan 8.230 nan 0.000 0.431 34 G N 2.887 111.656 108.800 -0.052 0.000 2.212 34 G HA2 -0.234 3.750 3.960 0.040 0.000 0.255 34 G HA3 -0.234 3.750 3.960 0.040 0.000 0.255 34 G C -0.219 174.724 174.900 0.071 0.000 1.062 34 G CA -0.414 44.660 45.100 -0.043 0.000 0.815 34 G HN 0.481 nan 8.290 nan 0.000 0.497 35 I N 1.914 122.537 120.570 0.087 0.000 2.396 35 I HA 0.252 4.446 4.170 0.040 0.000 0.289 35 I C -1.539 174.606 176.117 0.047 0.000 1.056 35 I CA -2.241 59.076 61.300 0.029 0.000 1.365 35 I CB 1.117 39.069 38.000 -0.081 0.000 1.407 35 I HN -0.039 nan 8.210 nan 0.000 0.509 36 P HA 0.033 nan 4.420 nan 0.000 0.276 36 P C -0.169 177.008 177.300 -0.205 0.000 1.243 36 P CA -0.001 62.893 63.100 -0.343 0.000 0.768 36 P CB 0.416 31.951 31.700 -0.274 0.000 0.856 37 F N 1.455 121.208 119.950 -0.328 0.000 2.706 37 F HA 0.707 5.258 4.527 0.040 0.000 0.308 37 F C 0.117 175.888 175.800 -0.048 0.000 1.095 37 F CA -0.801 57.078 58.000 -0.202 0.000 1.244 37 F CB 0.166 38.964 39.000 -0.336 0.000 1.063 37 F HN 0.307 nan 8.300 nan 0.000 0.582 38 A N 0.096 122.628 122.820 -0.481 0.000 2.587 38 A HA 0.558 4.902 4.320 0.040 0.000 0.293 38 A C -0.818 176.604 177.584 -0.271 0.000 1.087 38 A CA -0.812 51.054 52.037 -0.286 0.000 0.692 38 A CB 0.919 19.710 19.000 -0.349 0.000 1.291 38 A HN 0.068 nan 8.150 nan 0.000 0.407 39 E N 1.416 121.541 120.200 -0.124 0.000 2.465 39 E HA 0.172 4.546 4.350 0.040 0.000 0.260 39 E C -2.282 174.226 176.600 -0.154 0.000 0.980 39 E CA -1.140 55.199 56.400 -0.101 0.000 0.927 39 E CB -0.126 29.552 29.700 -0.036 0.000 0.934 39 E HN 0.231 nan 8.360 nan 0.000 0.459 40 P HA -0.050 nan 4.420 nan 0.000 0.260 40 P C -2.220 175.015 177.300 -0.108 0.000 1.172 40 P CA -0.523 62.493 63.100 -0.140 0.000 0.760 40 P CB -0.034 31.618 31.700 -0.080 0.000 0.773 41 P HA 0.027 nan 4.420 nan 0.000 0.220 41 P C -0.394 176.845 177.300 -0.101 0.000 1.806 41 P CA 0.069 63.114 63.100 -0.091 0.000 0.976 41 P CB -0.074 31.577 31.700 -0.081 0.000 1.952 42 V N -2.685 117.175 119.914 -0.090 0.000 3.019 42 V HA 0.907 5.051 4.120 0.040 0.000 0.317 42 V C 0.987 177.033 176.094 -0.081 0.000 1.094 42 V CA 0.119 62.361 62.300 -0.097 0.000 1.000 42 V CB 0.881 32.653 31.823 -0.084 0.000 1.060 42 V HN 0.536 nan 8.190 nan 0.000 0.443 43 G N 2.512 111.263 108.800 -0.083 0.000 2.602 43 G HA2 -0.359 3.624 3.960 0.040 0.000 0.310 43 G HA3 -0.359 3.624 3.960 0.040 0.000 0.310 43 G C 1.303 176.169 174.900 -0.057 0.000 1.183 43 G CA 1.732 46.797 45.100 -0.059 0.000 0.979 43 G HN 2.364 nan 8.290 nan 0.000 0.545 44 S N 0.564 116.245 115.700 -0.032 0.000 2.515 44 S HA 0.097 4.591 4.470 0.040 0.000 0.231 44 S C 1.989 176.579 174.600 -0.018 0.000 0.987 44 S CA 1.453 59.644 58.200 -0.014 0.000 0.936 44 S CB -0.028 63.173 63.200 0.002 0.000 0.766 44 S HN 0.692 nan 8.310 nan 0.000 0.528 45 R N 0.735 121.211 120.500 -0.040 0.000 2.297 45 R HA 0.245 4.609 4.340 0.040 0.000 0.197 45 R C 0.962 177.215 176.300 -0.078 0.000 0.943 45 R CA -0.193 55.885 56.100 -0.037 0.000 1.038 45 R CB -0.023 30.254 30.300 -0.038 0.000 0.957 45 R HN 0.367 nan 8.270 nan 0.000 0.484 46 R N 0.929 121.329 120.500 -0.165 0.000 2.538 46 R HA -0.133 4.231 4.340 0.040 0.000 0.282 46 R C -0.406 175.662 176.300 -0.385 0.000 1.009 46 R CA 0.615 56.484 56.100 -0.385 0.000 1.063 46 R CB 0.133 30.070 30.300 -0.605 0.000 0.945 46 R HN 0.124 nan 8.270 nan 0.000 0.414 47 F N -0.856 119.118 119.950 0.039 0.000 2.748 47 F HA -0.317 4.234 4.527 0.040 0.000 0.370 47 F C 0.147 175.948 175.800 0.000 0.000 0.620 47 F CA 0.656 58.657 58.000 0.002 0.000 1.233 47 F CB -1.854 37.136 39.000 -0.016 0.000 1.708 47 F HN 0.497 nan 8.300 nan 0.000 0.298 48 M N 1.034 120.707 119.600 0.121 0.000 2.444 48 M HA 0.420 4.924 4.480 0.040 0.000 0.319 48 M C -1.990 174.347 176.300 0.062 0.000 1.183 48 M CA -1.564 53.789 55.300 0.088 0.000 1.032 48 M CB 0.873 33.511 32.600 0.063 0.000 1.569 48 M HN -0.381 nan 8.290 nan 0.000 0.468 49 P HA 0.037 nan 4.420 nan 0.000 0.265 49 P C -2.499 174.837 177.300 0.060 0.000 1.187 49 P CA -0.538 62.603 63.100 0.067 0.000 0.766 49 P CB -0.498 31.248 31.700 0.078 0.000 0.820 50 P HA 0.095 nan 4.420 nan 0.000 0.271 50 P C -0.431 176.912 177.300 0.072 0.000 1.216 50 P CA 0.337 63.474 63.100 0.062 0.000 0.776 50 P CB 0.756 32.522 31.700 0.109 0.000 0.881 51 E N 3.027 123.255 120.200 0.047 0.000 2.202 51 E HA 0.388 4.762 4.350 0.040 0.000 0.272 51 E C -2.193 174.449 176.600 0.070 0.000 0.951 51 E CA -2.412 54.024 56.400 0.060 0.000 0.813 51 E CB 0.627 30.353 29.700 0.043 0.000 1.151 51 E HN 0.349 nan 8.360 nan 0.000 0.398 52 P HA -0.001 nan 4.420 nan 0.000 0.266 52 P C -0.187 177.182 177.300 0.115 0.000 1.195 52 P CA -0.196 62.987 63.100 0.139 0.000 0.768 52 P CB 0.497 32.284 31.700 0.144 0.000 0.838 53 K N 3.866 124.352 120.400 0.144 0.000 2.451 53 K HA 0.027 4.371 4.320 0.040 0.000 0.280 53 K C 0.213 176.920 176.600 0.178 0.000 1.020 53 K CA 0.195 56.566 56.287 0.141 0.000 1.008 53 K CB 0.114 32.725 32.500 0.186 0.000 0.917 53 K HN 0.267 nan 8.250 nan 0.000 0.478 54 R N 5.015 125.603 120.500 0.146 0.000 2.643 54 R HA 0.116 4.480 4.340 0.040 0.000 0.270 54 R C -1.989 174.429 176.300 0.196 0.000 1.061 54 R CA -1.481 54.698 56.100 0.132 0.000 1.107 54 R CB -0.096 30.265 30.300 0.101 0.000 0.999 54 R HN 0.572 nan 8.270 nan 0.000 0.460 55 P HA -0.062 nan 4.420 nan 0.000 0.268 55 P C -1.197 176.146 177.300 0.073 0.000 1.208 55 P CA 0.062 63.110 63.100 -0.087 0.000 0.777 55 P CB 0.345 31.953 31.700 -0.155 0.000 0.875 56 W N 0.481 121.815 121.300 0.056 0.000 2.902 56 W HA 0.698 5.381 4.660 0.040 0.000 0.346 56 W C -0.671 175.874 176.519 0.043 0.000 1.139 56 W CA -1.005 56.370 57.345 0.050 0.000 1.139 56 W CB 0.056 29.553 29.460 0.062 0.000 1.439 56 W HN 0.381 nan 8.180 nan 0.000 0.558 57 S N 1.359 117.234 115.700 0.291 0.000 2.672 57 S HA 0.788 5.282 4.470 0.040 0.000 0.276 57 S C 0.682 175.436 174.600 0.257 0.000 1.207 57 S CA 0.099 58.406 58.200 0.177 0.000 1.002 57 S CB 0.790 64.061 63.200 0.119 0.000 0.998 57 S HN 2.158 nan 8.310 nan 0.000 0.542 58 G N 0.195 109.093 108.800 0.163 0.000 2.578 58 G HA2 -0.197 3.787 3.960 0.040 0.000 0.275 58 G HA3 -0.197 3.787 3.960 0.040 0.000 0.275 58 G C -0.490 174.548 174.900 0.231 0.000 1.271 58 G CA -0.087 45.106 45.100 0.156 0.000 0.941 58 G HN 1.702 nan 8.290 nan 0.000 0.564 59 V N 0.772 120.795 119.914 0.182 0.000 2.347 59 V HA 0.524 4.667 4.120 0.040 0.000 0.280 59 V C 0.539 176.718 176.094 0.142 0.000 1.021 59 V CA -0.443 61.972 62.300 0.193 0.000 0.847 59 V CB 1.192 33.091 31.823 0.126 0.000 0.990 59 V HN 0.813 nan 8.190 nan 0.000 0.444 60 L N 4.377 125.681 121.223 0.135 0.000 2.360 60 L HA 0.360 4.723 4.340 0.040 0.000 0.276 60 L C 0.254 177.099 176.870 -0.042 0.000 1.121 60 L CA 0.261 55.035 54.840 -0.110 0.000 0.845 60 L CB 0.819 42.534 42.059 -0.574 0.000 1.143 60 L HN 0.789 nan 8.230 nan 0.000 0.452 61 D N 4.357 124.717 120.400 -0.068 0.000 2.338 61 D HA 0.400 5.064 4.640 0.040 0.000 0.255 61 D C -0.209 176.048 176.300 -0.072 0.000 1.237 61 D CA 0.292 54.262 54.000 -0.050 0.000 0.883 61 D CB 0.904 41.667 40.800 -0.061 0.000 1.087 61 D HN 0.671 nan 8.370 nan 0.000 0.485 62 A N 3.338 126.138 122.820 -0.034 0.000 3.113 62 A HA 0.297 4.641 4.320 0.040 0.000 0.307 62 A C 0.850 178.361 177.584 -0.121 0.000 1.025 62 A CA -0.321 51.692 52.037 -0.041 0.000 1.012 62 A CB -0.153 18.910 19.000 0.104 0.000 1.085 62 A HN 0.584 nan 8.150 nan 0.000 0.519 63 T N -3.264 111.194 114.554 -0.161 0.000 3.044 63 T HA 0.287 4.661 4.350 0.040 0.000 0.260 63 T C 0.635 175.181 174.700 -0.257 0.000 1.019 63 T CA 0.702 62.677 62.100 -0.210 0.000 0.921 63 T CB -0.156 68.620 68.868 -0.154 0.000 1.053 63 T HN 0.726 nan 8.240 nan 0.000 0.533 64 T N -0.500 113.900 114.554 -0.256 0.000 2.903 64 T HA 0.708 5.082 4.350 0.040 0.000 0.299 64 T C -0.867 173.676 174.700 -0.263 0.000 1.093 64 T CA -0.870 61.072 62.100 -0.264 0.000 1.002 64 T CB 1.137 69.915 68.868 -0.150 0.000 1.127 64 T HN -0.021 nan 8.240 nan 0.000 0.488 65 F N 1.791 121.672 119.950 -0.115 0.000 2.506 65 F HA 0.516 5.067 4.527 0.040 0.000 0.351 65 F C 0.982 176.680 175.800 -0.169 0.000 1.136 65 F CA -0.080 57.851 58.000 -0.114 0.000 1.298 65 F CB 0.788 39.748 39.000 -0.066 0.000 1.145 65 F HN 0.619 nan 8.300 nan 0.000 0.593 66 Q N 1.595 121.409 119.800 0.023 0.000 2.166 66 Q HA 0.320 4.684 4.340 0.040 0.000 0.226 66 Q C -0.547 175.366 176.000 -0.144 0.000 0.989 66 Q CA -0.679 54.973 55.803 -0.252 0.000 0.966 66 Q CB 0.598 28.917 28.738 -0.699 0.000 1.173 66 Q HN 0.481 nan 8.270 nan 0.000 0.509 67 N N -0.636 117.952 118.700 -0.186 0.000 2.374 67 N HA 0.042 4.806 4.740 0.040 0.000 0.241 67 N C -0.897 174.585 175.510 -0.046 0.000 1.262 67 N CA 0.055 53.051 53.050 -0.091 0.000 0.880 67 N CB 0.288 38.734 38.487 -0.068 0.000 1.105 67 N HN 0.304 nan 8.380 nan 0.000 0.438 68 V N 1.530 121.398 119.914 -0.077 0.000 2.607 68 V HA 0.084 4.228 4.120 0.040 0.000 0.289 68 V C 0.631 176.680 176.094 -0.076 0.000 1.053 68 V CA -0.815 61.427 62.300 -0.096 0.000 0.996 68 V CB 0.967 32.695 31.823 -0.159 0.000 0.995 68 V HN 0.698 nan 8.190 nan 0.000 0.476 69 c N 4.291 122.861 118.600 -0.050 0.000 2.657 69 c HA 0.100 4.694 4.570 0.040 0.000 0.420 69 c C 0.509 174.564 174.090 -0.059 0.000 1.323 69 c CA -0.575 55.737 56.329 -0.029 0.000 1.894 69 c CB -1.014 41.510 42.510 0.022 0.000 2.681 69 c HN 0.747 nan 8.230 nan 0.000 0.613 70 Y N 4.135 124.313 120.300 -0.203 0.000 2.802 70 Y HA 0.196 4.770 4.550 0.040 0.000 0.333 70 Y C 0.802 176.735 175.900 0.056 0.000 1.244 70 Y CA 1.119 59.099 58.100 -0.199 0.000 1.558 70 Y CB 0.055 38.178 38.460 -0.562 0.000 1.233 70 Y HN 0.743 nan 8.280 nan 0.000 0.547 71 Q N 4.307 124.012 119.800 -0.157 0.000 2.575 71 Q HA 0.221 4.585 4.340 0.040 0.000 0.290 71 Q C -1.691 174.363 176.000 0.090 0.000 0.963 71 Q CA -1.223 54.659 55.803 0.132 0.000 0.783 71 Q CB 1.221 30.010 28.738 0.085 0.000 1.467 71 Q HN 0.663 nan 8.270 nan 0.000 0.402 72 Y N 1.159 121.560 120.300 0.169 0.000 2.811 72 Y HA 0.259 4.832 4.550 0.039 0.000 0.334 72 Y C -0.951 174.989 175.900 0.067 0.000 1.247 72 Y CA 0.357 58.537 58.100 0.133 0.000 1.526 72 Y CB 0.760 39.340 38.460 0.200 0.000 1.284 72 Y HN 0.436 nan 8.280 nan 0.000 0.586 73 V N 6.896 126.416 119.914 -0.657 0.000 2.459 73 V HA 0.097 4.241 4.120 0.040 0.000 0.295 73 V C -0.183 175.384 176.094 -0.879 0.000 1.029 73 V CA -1.149 60.822 62.300 -0.548 0.000 0.874 73 V CB 1.518 33.147 31.823 -0.324 0.000 0.985 73 V HN 0.785 nan 8.190 nan 0.000 0.438 74 D N 3.199 123.329 120.400 -0.450 0.000 2.425 74 D HA 0.115 4.779 4.640 0.040 0.000 0.247 74 D C 0.592 176.829 176.300 -0.104 0.000 1.147 74 D CA 0.434 54.313 54.000 -0.202 0.000 0.879 74 D CB 1.652 42.533 40.800 0.134 0.000 1.179 74 D HN 0.791 nan 8.370 nan 0.000 0.456 75 T N 1.152 115.690 114.554 -0.026 0.000 3.332 75 T HA 0.030 4.404 4.350 0.040 0.000 0.304 75 T C 1.355 176.046 174.700 -0.015 0.000 0.971 75 T CA -0.474 61.616 62.100 -0.017 0.000 0.954 75 T CB 0.077 68.921 68.868 -0.041 0.000 1.175 75 T HN 0.210 nan 8.240 nan 0.000 0.519 76 L N 0.701 121.916 121.223 -0.014 0.000 2.072 76 L HA 0.372 4.736 4.340 0.040 0.000 0.205 76 L C -0.338 176.227 176.870 -0.509 0.000 1.079 76 L CA 1.353 56.021 54.840 -0.287 0.000 0.752 76 L CB -0.311 41.505 42.059 -0.405 0.000 0.906 76 L HN 0.412 nan 8.230 nan 0.000 0.436 77 Y N 0.369 120.696 120.300 0.044 0.000 2.748 77 Y HA 0.433 5.006 4.550 0.040 0.000 0.359 77 Y C -2.229 173.701 175.900 0.051 0.000 1.030 77 Y CA -3.531 54.564 58.100 -0.008 0.000 1.169 77 Y CB -0.185 38.204 38.460 -0.119 0.000 1.127 77 Y HN 0.084 nan 8.280 nan 0.000 0.644 78 P HA 0.166 nan 4.420 nan 0.000 0.267 78 P C 1.031 178.381 177.300 0.083 0.000 1.209 78 P CA 0.989 64.135 63.100 0.077 0.000 0.763 78 P CB 0.937 32.653 31.700 0.027 0.000 0.816 79 G N 2.276 111.111 108.800 0.058 0.000 2.179 79 G HA2 -0.284 3.700 3.960 0.040 0.000 0.260 79 G HA3 -0.284 3.700 3.960 0.040 0.000 0.260 79 G C -0.160 174.765 174.900 0.042 0.000 0.977 79 G CA -0.283 44.832 45.100 0.024 0.000 0.641 79 G HN 0.563 nan 8.290 nan 0.000 0.533 80 F N 1.667 121.564 119.950 -0.088 0.000 2.420 80 F HA 0.650 5.201 4.527 0.039 0.000 0.352 80 F C 1.333 177.011 175.800 -0.204 0.000 1.108 80 F CA -0.478 57.422 58.000 -0.168 0.000 1.162 80 F CB 1.353 40.229 39.000 -0.206 0.000 1.118 80 F HN 0.086 nan 8.300 nan 0.000 0.510 81 E N 4.011 123.706 120.200 -0.842 0.000 2.086 81 E HA -0.157 4.217 4.350 0.040 0.000 0.200 81 E C 2.210 178.265 176.600 -0.908 0.000 1.012 81 E CA 2.263 58.204 56.400 -0.765 0.000 0.812 81 E CB -0.646 28.674 29.700 -0.634 0.000 0.743 81 E HN 0.927 nan 8.360 nan 0.000 0.453 82 G N -1.243 106.520 108.800 -1.728 0.000 2.448 82 G HA2 -0.280 3.704 3.960 0.040 0.000 0.219 82 G HA3 -0.280 3.704 3.960 0.040 0.000 0.219 82 G C 1.655 176.508 174.900 -0.079 0.000 1.127 82 G CA 1.716 46.178 45.100 -1.064 0.000 0.766 82 G HN 0.505 nan 8.290 nan 0.000 0.552 83 T N -1.990 112.526 114.554 -0.064 0.000 3.004 83 T HA 0.111 4.484 4.350 0.040 0.000 0.243 83 T C 1.915 176.706 174.700 0.151 0.000 1.020 83 T CA 0.788 63.111 62.100 0.373 0.000 1.145 83 T CB -0.038 69.131 68.868 0.502 0.000 0.876 83 T HN 0.110 nan 8.240 nan 0.000 0.449 84 E N 2.282 122.453 120.200 -0.048 0.000 2.209 84 E HA -0.111 4.263 4.350 0.040 0.000 0.196 84 E C 2.208 178.681 176.600 -0.211 0.000 0.993 84 E CA 1.327 57.663 56.400 -0.107 0.000 0.819 84 E CB -0.525 29.090 29.700 -0.142 0.000 0.745 84 E HN 0.809 nan 8.360 nan 0.000 0.477 85 M N -2.484 116.897 119.600 -0.365 0.000 2.460 85 M HA -0.053 4.451 4.480 0.040 0.000 0.263 85 M C 1.184 177.050 176.300 -0.724 0.000 1.071 85 M CA 1.337 56.269 55.300 -0.613 0.000 1.096 85 M CB -0.432 31.684 32.600 -0.807 0.000 1.408 85 M HN -0.000 nan 8.290 nan 0.000 0.463 86 W N 0.722 121.934 121.300 -0.146 0.000 3.107 86 W HA 0.307 4.991 4.660 0.039 0.000 0.293 86 W C 0.424 176.836 176.519 -0.178 0.000 1.239 86 W CA -0.986 56.258 57.345 -0.168 0.000 1.653 86 W CB -0.086 29.317 29.460 -0.095 0.000 1.068 86 W HN 0.088 nan 8.180 nan 0.000 0.615 87 N N 1.651 120.349 118.700 -0.002 0.000 2.444 87 N HA 0.116 4.879 4.740 0.040 0.000 0.255 87 N C -2.428 172.996 175.510 -0.143 0.000 1.255 87 N CA -1.294 51.713 53.050 -0.072 0.000 0.933 87 N CB -0.085 38.353 38.487 -0.082 0.000 1.143 87 N HN -0.329 nan 8.380 nan 0.000 0.453 88 P HA 0.080 nan 4.420 nan 0.000 0.267 88 P C 0.247 177.441 177.300 -0.176 0.000 1.205 88 P CA -0.035 62.953 63.100 -0.187 0.000 0.765 88 P CB 0.321 31.906 31.700 -0.191 0.000 0.828 89 N N 2.569 121.154 118.700 -0.192 0.000 2.203 89 N HA 0.063 4.827 4.740 0.040 0.000 0.207 89 N C 0.224 175.653 175.510 -0.135 0.000 1.130 89 N CA 0.125 53.073 53.050 -0.169 0.000 0.861 89 N CB 0.354 38.723 38.487 -0.196 0.000 1.005 89 N HN 0.155 nan 8.380 nan 0.000 0.507 90 R N 0.096 120.514 120.500 -0.137 0.000 2.922 90 R HA 0.349 4.713 4.340 0.040 0.000 0.256 90 R C -0.619 175.618 176.300 -0.105 0.000 1.138 90 R CA -0.779 55.261 56.100 -0.101 0.000 0.995 90 R CB 0.462 30.712 30.300 -0.083 0.000 1.226 90 R HN 0.082 nan 8.270 nan 0.000 0.481 91 E N 0.805 120.954 120.200 -0.085 0.000 2.413 91 E HA 0.066 4.440 4.350 0.040 0.000 0.263 91 E C -0.462 176.086 176.600 -0.088 0.000 1.015 91 E CA 0.199 56.552 56.400 -0.078 0.000 0.916 91 E CB 0.398 30.063 29.700 -0.059 0.000 0.947 91 E HN 0.259 nan 8.360 nan 0.000 0.440 92 L N 3.088 124.254 121.223 -0.096 0.000 2.305 92 L HA 0.365 4.729 4.340 0.040 0.000 0.281 92 L C 0.136 177.031 176.870 0.042 0.000 1.085 92 L CA -0.224 54.545 54.840 -0.118 0.000 0.813 92 L CB 1.053 42.904 42.059 -0.347 0.000 1.157 92 L HN 0.406 nan 8.230 nan 0.000 0.436 93 S N 1.369 117.105 115.700 0.060 0.000 2.537 93 S HA 0.220 4.714 4.470 0.040 0.000 0.271 93 S C 0.311 174.910 174.600 -0.002 0.000 1.148 93 S CA -0.669 57.572 58.200 0.069 0.000 0.868 93 S CB 1.712 64.916 63.200 0.008 0.000 1.115 93 S HN 0.745 nan 8.310 nan 0.000 0.461 94 E N 0.980 121.111 120.200 -0.115 0.000 2.268 94 E HA -0.085 4.288 4.350 0.040 0.000 0.195 94 E C -0.241 176.289 176.600 -0.115 0.000 0.995 94 E CA 0.653 56.917 56.400 -0.226 0.000 0.836 94 E CB 0.096 29.597 29.700 -0.332 0.000 0.763 94 E HN 0.570 nan 8.360 nan 0.000 0.491 95 D N 0.227 120.596 120.400 -0.052 0.000 2.470 95 D HA -0.012 4.651 4.640 0.040 0.000 0.226 95 D C -0.035 176.343 176.300 0.131 0.000 1.196 95 D CA -0.260 53.746 54.000 0.011 0.000 0.979 95 D CB -0.083 40.734 40.800 0.028 0.000 1.059 95 D HN 0.138 nan 8.370 nan 0.000 0.515 96 c N 2.277 120.935 118.600 0.095 0.000 3.772 96 c HA 0.367 4.960 4.570 0.040 0.000 0.293 96 c C 0.751 174.934 174.090 0.156 0.000 1.659 96 c CA -0.704 55.746 56.329 0.202 0.000 1.810 96 c CB -1.279 41.280 42.510 0.082 0.000 3.059 96 c HN 0.432 nan 8.230 nan 0.000 0.617 97 L N 2.500 123.559 121.223 -0.274 0.000 2.382 97 L HA 0.360 4.724 4.340 0.040 0.000 0.259 97 L C -0.854 175.309 176.870 -1.178 0.000 1.291 97 L CA 0.688 55.086 54.840 -0.735 0.000 1.176 97 L CB -0.809 40.690 42.059 -0.933 0.000 1.373 97 L HN 0.429 nan 8.230 nan 0.000 0.426 98 Y N 1.752 121.956 120.300 -0.160 0.000 2.605 98 Y HA 0.664 5.238 4.550 0.040 0.000 0.343 98 Y C -0.066 176.015 175.900 0.302 0.000 1.036 98 Y CA -1.243 56.865 58.100 0.013 0.000 1.065 98 Y CB 1.971 40.413 38.460 -0.029 0.000 1.288 98 Y HN 0.184 nan 8.280 nan 0.000 0.481 99 L N -0.465 120.948 121.223 0.317 0.000 2.322 99 L HA 0.784 5.148 4.340 0.040 0.000 0.252 99 L C -1.439 175.450 176.870 0.032 0.000 1.055 99 L CA -1.199 53.730 54.840 0.148 0.000 0.849 99 L CB 1.797 43.807 42.059 -0.081 0.000 1.446 99 L HN 0.509 nan 8.230 nan 0.000 0.416 100 N N -0.204 118.508 118.700 0.020 0.000 2.225 100 N HA 0.723 5.487 4.740 0.040 0.000 0.298 100 N C -1.602 173.821 175.510 -0.145 0.000 1.076 100 N CA -0.408 52.565 53.050 -0.129 0.000 0.792 100 N CB 2.923 41.328 38.487 -0.136 0.000 1.498 100 N HN 0.502 nan 8.380 nan 0.000 0.474 101 V N 1.387 121.147 119.914 -0.257 0.000 2.531 101 V HA 0.466 4.610 4.120 0.040 0.000 0.301 101 V C -0.805 175.222 176.094 -0.113 0.000 1.034 101 V CA -0.764 61.475 62.300 -0.103 0.000 0.865 101 V CB 2.228 33.861 31.823 -0.316 0.000 0.995 101 V HN 0.550 nan 8.190 nan 0.000 0.424 102 W N 2.257 123.663 121.300 0.177 0.000 2.573 102 W HA 0.665 5.349 4.660 0.040 0.000 0.326 102 W C 0.078 176.713 176.519 0.195 0.000 1.049 102 W CA -0.364 57.085 57.345 0.174 0.000 1.220 102 W CB 2.279 31.819 29.460 0.133 0.000 1.373 102 W HN 0.492 nan 8.180 nan 0.000 0.507 103 T N 3.367 118.182 114.554 0.436 0.000 2.896 103 T HA 0.502 4.876 4.350 0.040 0.000 0.297 103 T C -2.576 172.306 174.700 0.302 0.000 1.108 103 T CA -1.950 60.365 62.100 0.358 0.000 1.004 103 T CB 2.099 71.221 68.868 0.422 0.000 1.159 103 T HN -0.078 nan 8.240 nan 0.000 0.499 104 P HA 0.240 nan 4.420 nan 0.000 0.272 104 P C -1.779 175.666 177.300 0.241 0.000 1.230 104 P CA -0.029 63.195 63.100 0.206 0.000 0.788 104 P CB 0.198 31.987 31.700 0.149 0.000 0.949 105 Y N 2.822 123.178 120.300 0.093 0.000 2.326 105 Y HA 0.414 4.988 4.550 0.040 0.000 0.329 105 Y C -2.219 173.716 175.900 0.058 0.000 0.973 105 Y CA -2.503 55.644 58.100 0.078 0.000 1.162 105 Y CB 1.193 39.688 38.460 0.057 0.000 1.147 105 Y HN 0.339 nan 8.280 nan 0.000 0.456 106 P HA 0.183 nan 4.420 nan 0.000 0.272 106 P C -0.864 176.394 177.300 -0.070 0.000 1.240 106 P CA -0.338 62.588 63.100 -0.291 0.000 0.791 106 P CB 1.007 32.581 31.700 -0.210 0.000 0.978 107 R N 1.096 121.559 120.500 -0.061 0.000 2.585 107 R HA 0.138 4.502 4.340 0.040 0.000 0.275 107 R C -1.847 174.476 176.300 0.038 0.000 1.018 107 R CA -1.023 55.104 56.100 0.046 0.000 1.072 107 R CB -0.908 29.426 30.300 0.057 0.000 0.953 107 R HN 0.422 nan 8.270 nan 0.000 0.419 108 P HA -0.086 nan 4.420 nan 0.000 0.265 108 P C 0.047 177.366 177.300 0.031 0.000 1.187 108 P CA 0.314 63.446 63.100 0.054 0.000 0.766 108 P CB 0.689 32.431 31.700 0.071 0.000 0.820 109 A N 2.844 125.676 122.820 0.021 0.000 1.877 109 A HA -0.042 4.302 4.320 0.040 0.000 0.216 109 A C 1.048 178.638 177.584 0.009 0.000 1.186 109 A CA 1.796 53.838 52.037 0.009 0.000 0.620 109 A CB -0.909 18.095 19.000 0.007 0.000 0.822 109 A HN 0.647 nan 8.150 nan 0.000 0.443 110 S N -0.991 114.717 115.700 0.014 0.000 2.578 110 S HA 0.621 5.114 4.470 0.040 0.000 0.301 110 S C -3.100 171.511 174.600 0.018 0.000 1.091 110 S CA -1.874 56.332 58.200 0.010 0.000 1.032 110 S CB 1.150 64.353 63.200 0.006 0.000 1.064 110 S HN 0.030 nan 8.310 nan 0.000 0.508 111 P HA 0.124 nan 4.420 nan 0.000 0.260 111 P C -0.534 176.778 177.300 0.021 0.000 1.172 111 P CA 0.489 63.600 63.100 0.019 0.000 0.760 111 P CB 0.022 31.725 31.700 0.005 0.000 0.773 112 T N 5.292 119.869 114.554 0.039 0.000 2.895 112 T HA 0.434 4.808 4.350 0.040 0.000 0.283 112 T C -2.386 172.337 174.700 0.038 0.000 1.014 112 T CA -1.837 60.287 62.100 0.041 0.000 1.037 112 T CB 0.940 69.848 68.868 0.066 0.000 1.006 112 T HN 0.135 nan 8.240 nan 0.000 0.468 113 P HA 0.184 nan 4.420 nan 0.000 0.267 113 P C -1.045 176.288 177.300 0.055 0.000 1.200 113 P CA -0.231 62.879 63.100 0.018 0.000 0.772 113 P CB 0.434 32.130 31.700 -0.007 0.000 0.855 114 V N 4.660 124.619 119.914 0.074 0.000 2.417 114 V HA 0.291 4.435 4.120 0.040 0.000 0.291 114 V C 0.048 176.221 176.094 0.132 0.000 1.024 114 V CA -0.475 61.897 62.300 0.119 0.000 0.861 114 V CB 1.288 33.194 31.823 0.138 0.000 0.985 114 V HN 0.305 nan 8.190 nan 0.000 0.436 115 L N 6.181 127.497 121.223 0.155 0.000 2.295 115 L HA 0.590 4.954 4.340 0.040 0.000 0.285 115 L C -0.332 176.791 176.870 0.421 0.000 1.035 115 L CA 0.079 55.038 54.840 0.199 0.000 0.806 115 L CB 1.514 43.548 42.059 -0.041 0.000 1.214 115 L HN 0.455 nan 8.230 nan 0.000 0.426 116 I N 2.591 123.459 120.570 0.497 0.000 2.382 116 I HA 0.208 4.402 4.170 0.040 0.000 0.286 116 I C -0.834 175.578 176.117 0.492 0.000 1.002 116 I CA -0.436 61.124 61.300 0.435 0.000 1.135 116 I CB 1.182 39.307 38.000 0.208 0.000 1.288 116 I HN 0.634 nan 8.210 nan 0.000 0.448 117 W N 8.531 129.949 121.300 0.196 0.000 2.316 117 W HA 0.560 5.244 4.660 0.039 0.000 0.311 117 W C -1.468 174.957 176.519 -0.157 0.000 1.217 117 W CA -0.542 56.667 57.345 -0.227 0.000 1.199 117 W CB 1.137 30.509 29.460 -0.148 0.000 1.202 117 W HN 0.345 nan 8.180 nan 0.000 0.528 118 I N 9.145 129.035 120.570 -1.134 0.000 2.420 118 I HA 0.067 4.261 4.170 0.040 0.000 0.282 118 I C -0.268 175.083 176.117 -1.276 0.000 1.019 118 I CA -1.085 59.664 61.300 -0.918 0.000 1.130 118 I CB 0.696 38.345 38.000 -0.584 0.000 1.262 118 I HN 0.297 nan 8.210 nan 0.000 0.454 119 Y N 4.525 124.380 120.300 -0.741 0.000 2.385 119 Y HA 0.700 5.274 4.550 0.040 0.000 0.346 119 Y C 0.814 176.538 175.900 -0.294 0.000 1.270 119 Y CA -0.827 56.934 58.100 -0.565 0.000 1.472 119 Y CB -0.141 38.198 38.460 -0.202 0.000 1.354 119 Y HN 0.501 nan 8.280 nan 0.000 0.611 120 G N -1.183 107.653 108.800 0.060 0.000 2.583 120 G HA2 0.480 4.463 3.960 0.040 0.000 0.280 120 G HA3 0.480 4.463 3.960 0.040 0.000 0.280 120 G C 0.273 175.125 174.900 -0.080 0.000 1.376 120 G CA -0.913 44.148 45.100 -0.066 0.000 1.043 120 G HN 1.762 nan 8.290 nan 0.000 0.538 121 G N -2.675 105.930 108.800 -0.325 0.000 2.188 121 G HA2 0.385 4.369 3.960 0.040 0.000 0.112 121 G HA3 0.385 4.369 3.960 0.040 0.000 0.112 121 G C 1.075 175.495 174.900 -0.799 0.000 1.048 121 G CA 0.651 45.423 45.100 -0.546 0.000 0.720 121 G HN 2.333 nan 8.290 nan 0.000 0.487 122 G N -0.470 107.854 108.800 -0.794 0.000 2.296 122 G HA2 -0.115 3.869 3.960 0.040 0.000 0.282 122 G HA3 -0.115 3.869 3.960 0.040 0.000 0.282 122 G C 0.939 175.609 174.900 -0.384 0.000 1.014 122 G CA 0.853 45.245 45.100 -1.181 0.000 0.812 122 G HN 1.857 nan 8.290 nan 0.000 0.508 123 F N -3.502 116.370 119.950 -0.130 0.000 2.935 123 F HA -0.337 4.214 4.527 0.040 0.000 0.317 123 F C 1.494 177.455 175.800 0.269 0.000 0.699 123 F CA 2.167 60.220 58.000 0.089 0.000 1.127 123 F CB -2.125 36.752 39.000 -0.205 0.000 1.491 123 F HN 0.859 nan 8.300 nan 0.000 0.337 124 Y N -1.170 119.268 120.300 0.230 0.000 2.426 124 Y HA 0.629 5.203 4.550 0.039 0.000 0.249 124 Y C 0.676 176.709 175.900 0.222 0.000 1.103 124 Y CA 0.329 58.608 58.100 0.300 0.000 1.256 124 Y CB 0.036 38.680 38.460 0.306 0.000 1.208 124 Y HN 0.063 nan 8.280 nan 0.000 0.519 125 S N -0.784 114.598 115.700 -0.529 0.000 2.752 125 S HA 0.893 5.387 4.470 0.040 0.000 0.284 125 S C -0.126 174.272 174.600 -0.336 0.000 1.189 125 S CA -0.553 57.394 58.200 -0.421 0.000 0.835 125 S CB 1.527 64.340 63.200 -0.645 0.000 1.192 125 S HN 1.305 nan 8.310 nan 0.000 0.506 126 G N -0.781 107.792 108.800 -0.379 0.000 2.440 126 G HA2 0.545 4.529 3.960 0.040 0.000 0.684 126 G HA3 0.545 4.529 3.960 0.040 0.000 0.684 126 G C -0.712 173.524 174.900 -1.107 0.000 1.309 126 G CA -0.230 44.481 45.100 -0.648 0.000 0.931 126 G HN 2.235 nan 8.290 nan 0.000 0.612 127 A N -1.227 120.747 122.820 -1.411 0.000 2.594 127 A HA 0.968 5.312 4.320 0.040 0.000 0.296 127 A C 0.499 177.865 177.584 -0.363 0.000 1.056 127 A CA 0.695 52.198 52.037 -0.891 0.000 0.693 127 A CB 0.788 19.538 19.000 -0.417 0.000 1.278 127 A HN 2.598 nan 8.150 nan 0.000 0.408 128 A N 0.557 123.421 122.820 0.074 0.000 2.235 128 A HA 0.294 4.638 4.320 0.040 0.000 0.208 128 A C 1.607 179.231 177.584 0.067 0.000 1.172 128 A CA 1.693 53.950 52.037 0.366 0.000 0.786 128 A CB -0.562 18.720 19.000 0.471 0.000 0.804 128 A HN 1.843 nan 8.150 nan 0.000 0.479 129 S N -0.658 114.832 115.700 -0.349 0.000 2.556 129 S HA 0.338 4.832 4.470 0.040 0.000 0.216 129 S C 0.433 174.608 174.600 -0.708 0.000 0.970 129 S CA -0.463 57.064 58.200 -1.122 0.000 0.912 129 S CB -0.528 61.925 63.200 -1.245 0.000 0.790 129 S HN 0.369 nan 8.310 nan 0.000 0.504 130 L N 2.331 123.291 121.223 -0.438 0.000 2.485 130 L HA 0.159 4.523 4.340 0.040 0.000 0.275 130 L C 1.154 177.706 176.870 -0.530 0.000 1.207 130 L CA -0.456 54.064 54.840 -0.533 0.000 0.855 130 L CB 0.214 41.818 42.059 -0.758 0.000 1.114 130 L HN 0.064 nan 8.230 nan 0.000 0.485 131 D N 1.198 121.328 120.400 -0.449 0.000 2.190 131 D HA -0.157 4.507 4.640 0.040 0.000 0.200 131 D C 1.923 177.956 176.300 -0.445 0.000 0.992 131 D CA 1.386 55.180 54.000 -0.343 0.000 0.854 131 D CB -0.011 40.613 40.800 -0.293 0.000 0.936 131 D HN 0.528 nan 8.370 nan 0.000 0.462 132 V N -1.742 117.749 119.914 -0.705 0.000 3.380 132 V HA -0.106 4.038 4.120 0.040 0.000 0.268 132 V C 0.877 176.392 176.094 -0.964 0.000 1.168 132 V CA 0.867 62.722 62.300 -0.741 0.000 1.156 132 V CB -1.074 30.284 31.823 -0.777 0.000 0.785 132 V HN 0.060 nan 8.190 nan 0.000 0.487 133 Y N 0.215 119.965 120.300 -0.916 0.000 2.658 133 Y HA 0.469 5.043 4.550 0.039 0.000 0.276 133 Y C 0.732 176.004 175.900 -1.048 0.000 1.167 133 Y CA -2.072 55.076 58.100 -1.587 0.000 1.230 133 Y CB -0.735 37.137 38.460 -0.981 0.000 1.144 133 Y HN 0.223 nan 8.280 nan 0.000 0.529 134 D N 0.783 120.871 120.400 -0.519 0.000 2.363 134 D HA 0.067 4.731 4.640 0.040 0.000 0.263 134 D C 1.417 177.401 176.300 -0.527 0.000 1.258 134 D CA 0.428 54.197 54.000 -0.386 0.000 0.907 134 D CB 1.318 42.046 40.800 -0.120 0.000 1.107 134 D HN 0.475 nan 8.370 nan 0.000 0.495 135 G N 4.156 112.048 108.800 -1.513 0.000 2.744 135 G HA2 -0.181 3.803 3.960 0.040 0.000 0.211 135 G HA3 -0.181 3.803 3.960 0.040 0.000 0.211 135 G C 1.485 175.822 174.900 -0.938 0.000 1.143 135 G CA 0.080 44.484 45.100 -1.160 0.000 0.788 135 G HN 0.540 nan 8.290 nan 0.000 0.534 136 R N -0.344 119.468 120.500 -1.148 0.000 2.162 136 R HA -0.228 4.136 4.340 0.040 0.000 0.245 136 R C 2.065 178.073 176.300 -0.487 0.000 1.129 136 R CA 2.183 57.867 56.100 -0.694 0.000 0.940 136 R CB -0.433 29.327 30.300 -0.900 0.000 0.875 136 R HN 0.420 nan 8.270 nan 0.000 0.437 137 F N 0.311 120.169 119.950 -0.154 0.000 2.128 137 F HA -0.090 4.461 4.527 0.041 0.000 0.295 137 F C 2.317 178.065 175.800 -0.086 0.000 1.100 137 F CA 0.843 58.783 58.000 -0.101 0.000 1.260 137 F CB -0.617 38.315 39.000 -0.113 0.000 1.009 137 F HN -0.012 nan 8.300 nan 0.000 0.476 138 L N 0.070 121.336 121.223 0.072 0.000 2.042 138 L HA -0.219 4.144 4.340 0.040 0.000 0.210 138 L C 2.772 179.660 176.870 0.030 0.000 1.076 138 L CA 1.206 56.049 54.840 0.005 0.000 0.749 138 L CB -1.069 40.948 42.059 -0.069 0.000 0.893 138 L HN 0.188 nan 8.230 nan 0.000 0.432 139 A N -0.869 121.976 122.820 0.041 0.000 1.883 139 A HA -0.272 4.072 4.320 0.040 0.000 0.217 139 A C 2.315 179.949 177.584 0.083 0.000 1.186 139 A CA 1.880 53.977 52.037 0.101 0.000 0.624 139 A CB -0.540 18.564 19.000 0.174 0.000 0.822 139 A HN 0.432 nan 8.150 nan 0.000 0.444 140 Q N -0.295 119.536 119.800 0.052 0.000 2.033 140 Q HA -0.067 4.297 4.340 0.040 0.000 0.196 140 Q C 2.230 178.264 176.000 0.057 0.000 0.970 140 Q CA 1.976 57.812 55.803 0.055 0.000 0.828 140 Q CB -0.284 28.468 28.738 0.024 0.000 0.895 140 Q HN 0.415 nan 8.270 nan 0.000 0.440 141 V N 1.424 121.371 119.914 0.055 0.000 2.407 141 V HA -0.130 4.014 4.120 0.040 0.000 0.245 141 V C 1.847 177.960 176.094 0.033 0.000 1.041 141 V CA 1.613 63.939 62.300 0.043 0.000 1.040 141 V CB -0.222 31.624 31.823 0.039 0.000 0.671 141 V HN 0.252 nan 8.190 nan 0.000 0.455 142 E N -0.195 120.024 120.200 0.031 0.000 2.472 142 E HA 0.180 4.554 4.350 0.040 0.000 0.196 142 E C 1.750 178.372 176.600 0.037 0.000 1.033 142 E CA 0.752 57.167 56.400 0.025 0.000 0.886 142 E CB 0.370 30.077 29.700 0.011 0.000 0.944 142 E HN 0.602 nan 8.360 nan 0.000 0.492 143 G N 1.641 110.472 108.800 0.053 0.000 2.160 143 G HA2 -0.303 3.681 3.960 0.040 0.000 0.251 143 G HA3 -0.303 3.681 3.960 0.040 0.000 0.251 143 G C 0.462 175.407 174.900 0.076 0.000 1.008 143 G CA 0.411 45.551 45.100 0.067 0.000 0.724 143 G HN 0.484 nan 8.290 nan 0.000 0.514 144 A N -0.748 122.118 122.820 0.075 0.000 2.340 144 A HA 0.737 5.081 4.320 0.040 0.000 0.268 144 A C 0.460 178.127 177.584 0.139 0.000 1.100 144 A CA -0.053 52.035 52.037 0.084 0.000 0.803 144 A CB 1.325 20.356 19.000 0.052 0.000 1.043 144 A HN 1.098 nan 8.150 nan 0.000 0.488 145 V N 3.034 123.039 119.914 0.151 0.000 2.385 145 V HA 0.299 4.443 4.120 0.040 0.000 0.269 145 V C -0.084 176.149 176.094 0.231 0.000 1.043 145 V CA -0.032 62.389 62.300 0.202 0.000 0.906 145 V CB 0.686 32.617 31.823 0.180 0.000 0.995 145 V HN 0.716 nan 8.190 nan 0.000 0.467 146 L N 6.444 127.863 121.223 0.326 0.000 2.322 146 L HA 0.716 5.080 4.340 0.040 0.000 0.281 146 L C -0.705 176.472 176.870 0.512 0.000 1.014 146 L CA -0.200 54.889 54.840 0.416 0.000 0.815 146 L CB 1.745 44.052 42.059 0.413 0.000 1.247 146 L HN 0.429 nan 8.230 nan 0.000 0.421 147 V N 3.139 123.330 119.914 0.461 0.000 2.680 147 V HA 0.713 4.856 4.120 0.040 0.000 0.309 147 V C -0.517 175.847 176.094 0.450 0.000 1.052 147 V CA -0.441 62.085 62.300 0.376 0.000 0.908 147 V CB 2.076 34.043 31.823 0.240 0.000 1.001 147 V HN 0.853 nan 8.190 nan 0.000 0.431 148 S N 4.977 120.928 115.700 0.418 0.000 2.540 148 S HA 0.847 5.341 4.470 0.040 0.000 0.275 148 S C -0.860 173.905 174.600 0.275 0.000 1.123 148 S CA -0.843 57.605 58.200 0.413 0.000 0.907 148 S CB 2.193 65.766 63.200 0.623 0.000 1.081 148 S HN 0.850 nan 8.310 nan 0.000 0.476 149 M N 1.396 121.115 119.600 0.198 0.000 2.598 149 M HA 0.649 5.153 4.480 0.040 0.000 0.317 149 M C -1.530 174.975 176.300 0.342 0.000 1.179 149 M CA -0.519 54.897 55.300 0.193 0.000 0.936 149 M CB 1.042 33.595 32.600 -0.077 0.000 1.713 149 M HN 0.548 nan 8.290 nan 0.000 0.460 150 N N 2.439 121.409 118.700 0.450 0.000 2.524 150 N HA 0.568 5.332 4.740 0.040 0.000 0.283 150 N C -1.362 174.411 175.510 0.437 0.000 1.142 150 N CA 0.084 53.401 53.050 0.445 0.000 0.984 150 N CB 0.614 39.306 38.487 0.342 0.000 1.155 150 N HN 0.736 nan 8.380 nan 0.000 0.467 151 Y N -1.943 118.525 120.300 0.281 0.000 2.553 151 Y HA 0.571 5.145 4.550 0.040 0.000 0.347 151 Y C -0.071 175.965 175.900 0.227 0.000 1.019 151 Y CA -1.336 56.888 58.100 0.206 0.000 1.032 151 Y CB 0.966 39.480 38.460 0.089 0.000 1.284 151 Y HN 0.193 nan 8.280 nan 0.000 0.466 152 R N 1.739 122.404 120.500 0.276 0.000 2.590 152 R HA 0.497 4.861 4.340 0.040 0.000 0.274 152 R C -0.293 176.185 176.300 0.297 0.000 1.061 152 R CA -0.158 56.058 56.100 0.193 0.000 1.081 152 R CB 0.985 31.358 30.300 0.122 0.000 0.984 152 R HN 0.727 nan 8.270 nan 0.000 0.448 153 V N -0.497 119.633 119.914 0.360 0.000 3.164 153 V HA 0.838 4.982 4.120 0.040 0.000 0.313 153 V C 0.816 177.271 176.094 0.602 0.000 1.188 153 V CA -0.183 62.448 62.300 0.551 0.000 1.058 153 V CB 1.058 33.112 31.823 0.386 0.000 1.110 153 V HN 0.951 nan 8.190 nan 0.000 0.453 154 G N 1.698 110.905 108.800 0.677 0.000 2.602 154 G HA2 -0.358 3.626 3.960 0.040 0.000 0.306 154 G HA3 -0.358 3.626 3.960 0.040 0.000 0.306 154 G C 1.157 176.252 174.900 0.325 0.000 1.301 154 G CA 2.160 47.610 45.100 0.583 0.000 0.974 154 G HN 2.378 nan 8.290 nan 0.000 0.547 155 T N -1.768 112.693 114.554 -0.154 0.000 2.720 155 T HA -0.122 4.251 4.350 0.040 0.000 0.268 155 T C 2.154 176.752 174.700 -0.170 0.000 1.037 155 T CA 2.628 64.366 62.100 -0.603 0.000 1.144 155 T CB -0.455 67.923 68.868 -0.817 0.000 0.864 155 T HN 0.544 nan 8.240 nan 0.000 0.444 156 F N 2.157 122.208 119.950 0.168 0.000 2.216 156 F HA 0.225 4.776 4.527 0.040 0.000 0.300 156 F C 2.741 178.582 175.800 0.068 0.000 1.085 156 F CA 0.777 58.841 58.000 0.106 0.000 1.326 156 F CB -0.897 38.122 39.000 0.033 0.000 1.027 156 F HN 0.391 nan 8.300 nan 0.000 0.497 157 G N -2.064 106.845 108.800 0.183 0.000 2.656 157 G HA2 0.038 4.022 3.960 0.040 0.000 0.211 157 G HA3 0.038 4.022 3.960 0.040 0.000 0.211 157 G C 0.805 175.302 174.900 -0.671 0.000 1.137 157 G CA 0.199 45.142 45.100 -0.260 0.000 0.802 157 G HN 0.352 nan 8.290 nan 0.000 0.527 158 F N -0.601 119.471 119.950 0.204 0.000 2.960 158 F HA 0.429 4.980 4.527 0.040 0.000 0.345 158 F C 0.270 176.173 175.800 0.172 0.000 1.147 158 F CA -0.916 57.181 58.000 0.162 0.000 1.099 158 F CB 0.376 39.482 39.000 0.177 0.000 1.219 158 F HN -0.097 nan 8.300 nan 0.000 0.525 159 L N 2.232 123.524 121.223 0.116 0.000 2.462 159 L HA 0.600 4.964 4.340 0.040 0.000 0.272 159 L C 0.016 176.852 176.870 -0.056 0.000 1.166 159 L CA 0.033 54.829 54.840 -0.073 0.000 0.880 159 L CB 0.448 42.161 42.059 -0.576 0.000 1.142 159 L HN 0.142 nan 8.230 nan 0.000 0.473 160 A N 6.285 129.123 122.820 0.030 0.000 2.393 160 A HA 0.703 5.047 4.320 0.040 0.000 0.306 160 A C -1.140 176.429 177.584 -0.024 0.000 1.050 160 A CA -0.565 51.475 52.037 0.005 0.000 0.724 160 A CB 1.258 20.294 19.000 0.059 0.000 1.248 160 A HN 0.696 nan 8.150 nan 0.000 0.424 161 L N 3.576 124.770 121.223 -0.047 0.000 2.356 161 L HA 0.338 4.702 4.340 0.040 0.000 0.264 161 L C -2.484 174.379 176.870 -0.012 0.000 1.029 161 L CA -1.645 53.175 54.840 -0.033 0.000 0.897 161 L CB 1.665 43.692 42.059 -0.054 0.000 1.256 161 L HN 0.407 nan 8.230 nan 0.000 0.444 162 P HA 0.122 nan 4.420 nan 0.000 0.264 162 P C 0.927 178.231 177.300 0.008 0.000 1.193 162 P CA 0.584 63.689 63.100 0.008 0.000 0.763 162 P CB 0.969 32.674 31.700 0.008 0.000 0.810 163 G N 1.736 110.545 108.800 0.015 0.000 2.176 163 G HA2 -0.225 3.759 3.960 0.040 0.000 0.253 163 G HA3 -0.225 3.759 3.960 0.040 0.000 0.253 163 G C 0.347 175.255 174.900 0.014 0.000 0.979 163 G CA 0.264 45.373 45.100 0.015 0.000 0.641 163 G HN 0.784 nan 8.290 nan 0.000 0.530 164 S N -1.070 114.638 115.700 0.013 0.000 2.672 164 S HA 0.693 5.187 4.470 0.040 0.000 0.276 164 S C 1.067 175.682 174.600 0.024 0.000 1.207 164 S CA 0.166 58.374 58.200 0.014 0.000 1.002 164 S CB 2.143 65.346 63.200 0.005 0.000 0.998 164 S HN 0.345 nan 8.310 nan 0.000 0.542 165 R N 0.027 120.543 120.500 0.027 0.000 2.127 165 R HA 0.085 4.449 4.340 0.040 0.000 0.217 165 R C 1.283 177.611 176.300 0.046 0.000 1.074 165 R CA 1.093 57.214 56.100 0.035 0.000 0.991 165 R CB -0.055 30.264 30.300 0.032 0.000 0.895 165 R HN 0.793 nan 8.270 nan 0.000 0.450 166 E N -1.113 119.116 120.200 0.048 0.000 2.415 166 E HA 0.159 4.533 4.350 0.040 0.000 0.197 166 E C -0.246 176.413 176.600 0.098 0.000 1.007 166 E CA 0.508 56.952 56.400 0.074 0.000 0.890 166 E CB 1.296 31.040 29.700 0.075 0.000 0.891 166 E HN 0.183 nan 8.360 nan 0.000 0.496 167 A N 1.338 124.187 122.820 0.049 0.000 3.370 167 A HA 0.281 4.625 4.320 0.040 0.000 0.295 167 A C -2.124 175.470 177.584 0.016 0.000 1.030 167 A CA -0.947 51.105 52.037 0.025 0.000 0.883 167 A CB 0.371 19.300 19.000 -0.118 0.000 1.191 167 A HN -0.077 nan 8.150 nan 0.000 0.507 168 P HA 0.109 nan 4.420 nan 0.000 0.234 168 P C 0.919 178.244 177.300 0.042 0.000 1.167 168 P CA 1.713 64.838 63.100 0.041 0.000 0.763 168 P CB 0.040 31.773 31.700 0.055 0.000 0.835 169 G N 1.112 109.937 108.800 0.041 0.000 2.781 169 G HA2 -0.216 3.767 3.960 0.040 0.000 0.683 169 G HA3 -0.216 3.767 3.960 0.040 0.000 0.683 169 G C -0.000 174.915 174.900 0.026 0.000 1.390 169 G CA -0.279 44.852 45.100 0.052 0.000 0.850 169 G HN 0.167 nan 8.290 nan 0.000 0.557 170 N N -2.441 116.281 118.700 0.037 0.000 2.753 170 N HA -0.292 4.472 4.740 0.040 0.000 0.251 170 N C 1.893 177.286 175.510 -0.196 0.000 1.097 170 N CA 2.436 55.446 53.050 -0.068 0.000 0.786 170 N CB -1.689 36.671 38.487 -0.211 0.000 1.137 170 N HN 1.923 nan 8.380 nan 0.000 0.566 171 V N -2.535 117.270 119.914 -0.182 0.000 2.490 171 V HA -0.022 4.122 4.120 0.040 0.000 0.250 171 V C 2.341 178.319 176.094 -0.195 0.000 1.061 171 V CA 2.320 64.545 62.300 -0.126 0.000 1.064 171 V CB -0.981 30.820 31.823 -0.037 0.000 0.670 171 V HN 0.271 nan 8.190 nan 0.000 0.461 172 G N 0.347 108.833 108.800 -0.523 0.000 2.432 172 G HA2 -0.148 3.836 3.960 0.040 0.000 0.219 172 G HA3 -0.148 3.836 3.960 0.040 0.000 0.219 172 G C 1.543 176.379 174.900 -0.106 0.000 1.135 172 G CA 1.219 46.088 45.100 -0.384 0.000 0.767 172 G HN 0.555 nan 8.290 nan 0.000 0.550 173 L N -0.363 120.765 121.223 -0.158 0.000 2.179 173 L HA 0.168 4.532 4.340 0.040 0.000 0.208 173 L C 2.740 179.611 176.870 0.002 0.000 1.096 173 L CA 0.155 54.883 54.840 -0.187 0.000 0.779 173 L CB -0.231 41.425 42.059 -0.673 0.000 0.922 173 L HN 0.161 nan 8.230 nan 0.000 0.443 174 L N -0.432 120.801 121.223 0.017 0.000 2.141 174 L HA -0.201 4.163 4.340 0.040 0.000 0.209 174 L C 2.132 179.117 176.870 0.192 0.000 1.094 174 L CA 0.836 55.784 54.840 0.181 0.000 0.763 174 L CB -0.601 41.551 42.059 0.155 0.000 0.908 174 L HN 0.260 nan 8.230 nan 0.000 0.437 175 D N 0.021 120.523 120.400 0.170 0.000 2.104 175 D HA -0.217 4.447 4.640 0.040 0.000 0.194 175 D C 2.284 178.711 176.300 0.212 0.000 0.994 175 D CA 1.274 55.450 54.000 0.294 0.000 0.830 175 D CB -0.196 40.802 40.800 0.330 0.000 0.959 175 D HN 0.402 nan 8.370 nan 0.000 0.452 176 Q N 0.035 119.905 119.800 0.117 0.000 2.050 176 Q HA -0.117 4.247 4.340 0.040 0.000 0.202 176 Q C 2.290 178.288 176.000 -0.003 0.000 0.980 176 Q CA 1.060 56.865 55.803 0.004 0.000 0.840 176 Q CB -0.058 28.698 28.738 0.029 0.000 0.898 176 Q HN 0.196 nan 8.270 nan 0.000 0.424 177 R N 0.601 121.213 120.500 0.186 0.000 2.091 177 R HA -0.191 4.173 4.340 0.040 0.000 0.238 177 R C 2.190 178.546 176.300 0.095 0.000 1.136 177 R CA 1.178 57.378 56.100 0.167 0.000 0.959 177 R CB -0.295 30.208 30.300 0.339 0.000 0.856 177 R HN 0.234 nan 8.270 nan 0.000 0.437 178 L N 0.819 122.119 121.223 0.128 0.000 2.079 178 L HA -0.088 4.276 4.340 0.040 0.000 0.210 178 L C 2.283 179.165 176.870 0.020 0.000 1.081 178 L CA 2.152 57.084 54.840 0.153 0.000 0.752 178 L CB -0.655 41.582 42.059 0.297 0.000 0.896 178 L HN 0.297 nan 8.230 nan 0.000 0.433 179 A N -1.078 121.543 122.820 -0.332 0.000 1.930 179 A HA -0.135 4.209 4.320 0.040 0.000 0.217 179 A C 2.091 179.615 177.584 -0.099 0.000 1.175 179 A CA 1.652 53.349 52.037 -0.565 0.000 0.627 179 A CB -0.721 17.715 19.000 -0.940 0.000 0.815 179 A HN 0.401 nan 8.150 nan 0.000 0.443 180 L N -0.359 120.820 121.223 -0.072 0.000 2.012 180 L HA -0.211 4.152 4.340 0.040 0.000 0.210 180 L C 2.635 179.560 176.870 0.093 0.000 1.073 180 L CA 2.121 56.967 54.840 0.011 0.000 0.748 180 L CB -1.162 40.868 42.059 -0.049 0.000 0.891 180 L HN 0.459 nan 8.230 nan 0.000 0.431 181 Q N -2.170 117.691 119.800 0.102 0.000 2.135 181 Q HA -0.279 4.085 4.340 0.040 0.000 0.204 181 Q C 2.143 178.237 176.000 0.157 0.000 0.981 181 Q CA 2.051 57.926 55.803 0.119 0.000 0.856 181 Q CB -0.385 28.430 28.738 0.127 0.000 0.902 181 Q HN 0.597 nan 8.270 nan 0.000 0.425 182 W N -0.229 121.085 121.300 0.023 0.000 2.358 182 W HA -0.210 4.474 4.660 0.040 0.000 0.303 182 W C 1.764 178.319 176.519 0.059 0.000 1.208 182 W CA 1.242 58.621 57.345 0.058 0.000 1.274 182 W CB -0.146 29.352 29.460 0.063 0.000 1.138 182 W HN -0.125 nan 8.180 nan 0.000 0.515 183 V N 0.995 121.110 119.914 0.334 0.000 2.287 183 V HA -0.366 3.778 4.120 0.040 0.000 0.248 183 V C 2.589 178.698 176.094 0.026 0.000 1.053 183 V CA 2.142 64.558 62.300 0.193 0.000 1.027 183 V CB -1.059 30.899 31.823 0.225 0.000 0.646 183 V HN 0.201 nan 8.190 nan 0.000 0.447 184 Q N -0.052 119.773 119.800 0.042 0.000 2.112 184 Q HA -0.254 4.109 4.340 0.040 0.000 0.206 184 Q C 2.196 178.164 176.000 -0.053 0.000 0.987 184 Q CA 1.962 57.775 55.803 0.016 0.000 0.858 184 Q CB -0.363 28.395 28.738 0.033 0.000 0.905 184 Q HN 0.736 nan 8.270 nan 0.000 0.420 185 E N -0.378 119.752 120.200 -0.117 0.000 2.216 185 E HA -0.036 4.338 4.350 0.040 0.000 0.192 185 E C 1.305 177.742 176.600 -0.272 0.000 0.988 185 E CA 0.504 56.798 56.400 -0.175 0.000 0.834 185 E CB 0.211 29.803 29.700 -0.180 0.000 0.772 185 E HN 0.322 nan 8.360 nan 0.000 0.479 186 N N -0.221 118.225 118.700 -0.424 0.000 2.297 186 N HA 0.031 4.795 4.740 0.040 0.000 0.208 186 N C 1.462 176.863 175.510 -0.181 0.000 1.176 186 N CA 0.044 52.785 53.050 -0.515 0.000 0.882 186 N CB 0.506 38.208 38.487 -1.310 0.000 1.134 186 N HN 0.033 nan 8.380 nan 0.000 0.489 187 I N 2.417 122.939 120.570 -0.081 0.000 2.394 187 I HA -0.092 4.102 4.170 0.040 0.000 0.251 187 I C 2.175 178.407 176.117 0.190 0.000 1.136 187 I CA 0.608 61.999 61.300 0.151 0.000 1.425 187 I CB -0.279 37.785 38.000 0.108 0.000 1.079 187 I HN 0.055 nan 8.210 nan 0.000 0.425 188 A N 0.446 123.302 122.820 0.060 0.000 1.917 188 A HA -0.239 4.105 4.320 0.040 0.000 0.219 188 A C 2.515 180.098 177.584 -0.001 0.000 1.182 188 A CA 1.961 54.014 52.037 0.027 0.000 0.633 188 A CB -1.284 17.706 19.000 -0.017 0.000 0.819 188 A HN 0.492 nan 8.150 nan 0.000 0.448 189 A N -1.526 121.252 122.820 -0.070 0.000 2.032 189 A HA -0.035 4.309 4.320 0.040 0.000 0.221 189 A C 1.694 179.070 177.584 -0.346 0.000 1.165 189 A CA 1.534 53.424 52.037 -0.246 0.000 0.645 189 A CB -0.704 18.055 19.000 -0.401 0.000 0.807 189 A HN 0.535 nan 8.150 nan 0.000 0.453 190 F N -1.476 118.427 119.950 -0.079 0.000 2.727 190 F HA 0.370 4.921 4.527 0.040 0.000 0.302 190 F C 1.861 177.671 175.800 0.017 0.000 1.097 190 F CA 0.613 58.585 58.000 -0.046 0.000 1.330 190 F CB 0.212 39.194 39.000 -0.030 0.000 1.084 190 F HN 0.349 nan 8.300 nan 0.000 0.578 191 G N 0.143 109.031 108.800 0.148 0.000 2.175 191 G HA2 -0.190 3.794 3.960 0.040 0.000 0.244 191 G HA3 -0.190 3.794 3.960 0.040 0.000 0.244 191 G C 0.682 175.651 174.900 0.115 0.000 0.982 191 G CA -0.286 44.878 45.100 0.107 0.000 0.641 191 G HN 0.708 nan 8.290 nan 0.000 0.527 192 G N -0.313 108.577 108.800 0.150 0.000 2.467 192 G HA2 0.445 4.429 3.960 0.040 0.000 0.257 192 G HA3 0.445 4.429 3.960 0.040 0.000 0.257 192 G C -0.572 174.374 174.900 0.077 0.000 1.227 192 G CA 0.338 45.510 45.100 0.120 0.000 0.835 192 G HN 0.204 nan 8.290 nan 0.000 0.556 193 D N 1.883 122.316 120.400 0.056 0.000 2.380 193 D HA 0.249 4.912 4.640 0.040 0.000 0.230 193 D C -1.113 175.208 176.300 0.035 0.000 1.154 193 D CA -2.297 51.718 54.000 0.025 0.000 0.859 193 D CB 1.883 42.681 40.800 -0.004 0.000 1.045 193 D HN 0.065 nan 8.370 nan 0.000 0.495 194 P HA -0.064 nan 4.420 nan 0.000 0.230 194 P C 1.292 178.649 177.300 0.095 0.000 1.158 194 P CA 0.612 63.755 63.100 0.071 0.000 0.769 194 P CB 0.209 31.939 31.700 0.050 0.000 0.807 195 M N -1.218 118.385 119.600 0.005 0.000 2.618 195 M HA 0.052 4.556 4.480 0.040 0.000 0.240 195 M C 0.826 176.839 176.300 -0.478 0.000 1.123 195 M CA 0.652 55.871 55.300 -0.136 0.000 1.060 195 M CB 0.043 32.567 32.600 -0.127 0.000 1.535 195 M HN -0.165 nan 8.290 nan 0.000 0.507 196 S N 1.029 116.608 115.700 -0.202 0.000 2.158 196 S HA 0.398 4.891 4.470 0.040 0.000 0.160 196 S C -0.869 173.753 174.600 0.036 0.000 1.693 196 S CA -0.527 57.569 58.200 -0.174 0.000 1.251 196 S CB 0.323 63.445 63.200 -0.130 0.000 1.153 196 S HN -0.008 nan 8.310 nan 0.000 0.439 197 V N 3.826 123.873 119.914 0.222 0.000 2.370 197 V HA 0.513 4.657 4.120 0.040 0.000 0.283 197 V C 0.058 176.320 176.094 0.280 0.000 1.023 197 V CA -0.358 62.097 62.300 0.259 0.000 0.857 197 V CB 1.813 33.818 31.823 0.304 0.000 0.985 197 V HN 0.702 nan 8.190 nan 0.000 0.443 198 T N 6.767 121.441 114.554 0.199 0.000 2.772 198 T HA 0.549 4.923 4.350 0.040 0.000 0.288 198 T C -0.196 174.640 174.700 0.226 0.000 0.994 198 T CA -0.345 61.876 62.100 0.202 0.000 0.951 198 T CB 0.729 69.665 68.868 0.113 0.000 0.933 198 T HN 0.339 nan 8.240 nan 0.000 0.447 199 L N 5.005 126.322 121.223 0.157 0.000 2.380 199 L HA 0.597 4.961 4.340 0.040 0.000 0.273 199 L C -0.250 176.819 176.870 0.332 0.000 1.138 199 L CA -0.663 54.241 54.840 0.107 0.000 0.832 199 L CB 0.104 41.994 42.059 -0.282 0.000 1.124 199 L HN 0.605 nan 8.230 nan 0.000 0.454 200 F N 0.523 120.534 119.950 0.101 0.000 2.599 200 F HA 0.978 5.529 4.527 0.039 0.000 0.311 200 F C -0.209 175.562 175.800 -0.048 0.000 1.076 200 F CA -1.694 56.409 58.000 0.171 0.000 0.937 200 F CB 1.622 40.874 39.000 0.420 0.000 1.282 200 F HN 0.460 nan 8.300 nan 0.000 0.460 201 G N 0.850 109.527 108.800 -0.206 0.000 2.632 201 G HA2 0.492 4.476 3.960 0.040 0.000 0.292 201 G HA3 0.492 4.476 3.960 0.040 0.000 0.292 201 G C -2.552 172.143 174.900 -0.342 0.000 1.465 201 G CA -0.770 43.852 45.100 -0.798 0.000 0.824 201 G HN 0.868 nan 8.290 nan 0.000 0.509 202 E N 0.365 120.322 120.200 -0.405 0.000 2.317 202 E HA 0.658 5.031 4.350 0.040 0.000 0.270 202 E C 0.655 177.215 176.600 -0.067 0.000 0.885 202 E CA 0.225 56.611 56.400 -0.023 0.000 0.760 202 E CB 2.261 32.096 29.700 0.225 0.000 1.227 202 E HN 0.837 nan 8.360 nan 0.000 0.434 203 S N 2.363 118.088 115.700 0.041 0.000 4.139 203 S HA -0.397 4.097 4.470 0.040 0.000 0.603 203 S C 1.471 176.182 174.600 0.185 0.000 1.897 203 S CA 2.275 60.575 58.200 0.167 0.000 4.241 203 S CB -1.592 61.661 63.200 0.088 0.000 0.221 203 S HN 0.945 nan 8.310 nan 0.000 0.488 204 A N 1.012 123.806 122.820 -0.044 0.000 1.972 204 A HA 0.155 4.499 4.320 0.040 0.000 0.219 204 A C 2.488 179.832 177.584 -0.400 0.000 1.169 204 A CA 2.437 54.244 52.037 -0.384 0.000 0.635 204 A CB -1.559 16.765 19.000 -1.127 0.000 0.810 204 A HN 1.562 nan 8.150 nan 0.000 0.446 205 G N -0.482 108.128 108.800 -0.316 0.000 2.422 205 G HA2 -0.005 3.979 3.960 0.040 0.000 0.218 205 G HA3 -0.005 3.979 3.960 0.040 0.000 0.218 205 G C 1.725 176.469 174.900 -0.261 0.000 1.146 205 G CA 1.410 46.282 45.100 -0.381 0.000 0.769 205 G HN 0.774 nan 8.290 nan 0.000 0.547 206 A N 1.288 124.027 122.820 -0.136 0.000 1.877 206 A HA 0.266 4.610 4.320 0.040 0.000 0.216 206 A C 2.845 180.431 177.584 0.002 0.000 1.186 206 A CA 2.280 54.300 52.037 -0.028 0.000 0.620 206 A CB -0.904 18.137 19.000 0.069 0.000 0.822 206 A HN 0.828 nan 8.150 nan 0.000 0.443 207 A N -0.475 122.377 122.820 0.054 0.000 1.940 207 A HA -0.105 4.239 4.320 0.040 0.000 0.219 207 A C 2.439 180.056 177.584 0.056 0.000 1.176 207 A CA 2.198 54.262 52.037 0.044 0.000 0.631 207 A CB -0.859 18.194 19.000 0.088 0.000 0.814 207 A HN 0.465 nan 8.150 nan 0.000 0.446 208 S N -0.448 115.282 115.700 0.050 0.000 2.348 208 S HA -0.140 4.354 4.470 0.040 0.000 0.221 208 S C 1.925 176.522 174.600 -0.005 0.000 1.033 208 S CA 1.392 59.587 58.200 -0.008 0.000 1.010 208 S CB -0.625 62.512 63.200 -0.106 0.000 0.891 208 S HN 0.361 nan 8.310 nan 0.000 0.442 209 V N 1.860 121.768 119.914 -0.010 0.000 2.278 209 V HA -0.253 3.891 4.120 0.040 0.000 0.251 209 V C 2.621 178.729 176.094 0.022 0.000 1.062 209 V CA 2.131 64.425 62.300 -0.010 0.000 1.038 209 V CB -1.572 30.213 31.823 -0.063 0.000 0.646 209 V HN 0.619 nan 8.190 nan 0.000 0.447 210 G N -1.350 107.455 108.800 0.008 0.000 2.432 210 G HA2 -0.264 3.720 3.960 0.040 0.000 0.219 210 G HA3 -0.264 3.720 3.960 0.040 0.000 0.219 210 G C 1.599 176.527 174.900 0.047 0.000 1.135 210 G CA 1.039 46.148 45.100 0.015 0.000 0.767 210 G HN 0.463 nan 8.290 nan 0.000 0.550 211 M N -0.243 119.369 119.600 0.021 0.000 2.254 211 M HA 0.048 4.551 4.480 0.040 0.000 0.265 211 M C 2.292 178.664 176.300 0.120 0.000 1.066 211 M CA 0.823 56.160 55.300 0.062 0.000 1.123 211 M CB -0.163 32.448 32.600 0.017 0.000 1.388 211 M HN 0.202 nan 8.290 nan 0.000 0.425 212 H N -0.200 118.993 119.070 0.205 0.000 2.389 212 H HA -0.026 4.554 4.556 0.040 0.000 0.299 212 H C 2.140 177.664 175.328 0.327 0.000 1.081 212 H CA 1.469 57.649 56.048 0.221 0.000 1.345 212 H CB -0.348 29.455 29.762 0.069 0.000 1.393 212 H HN 0.400 nan 8.280 nan 0.000 0.520 213 I N 0.766 121.587 120.570 0.418 0.000 2.264 213 I HA -0.248 3.946 4.170 0.040 0.000 0.248 213 I C 1.685 177.982 176.117 0.299 0.000 1.111 213 I CA 1.164 62.716 61.300 0.420 0.000 1.382 213 I CB -0.078 38.081 38.000 0.264 0.000 1.060 213 I HN 0.096 nan 8.210 nan 0.000 0.418 214 L N -0.756 120.595 121.223 0.213 0.000 2.629 214 L HA 0.142 4.506 4.340 0.040 0.000 0.230 214 L C 0.656 177.560 176.870 0.056 0.000 1.151 214 L CA -0.010 54.930 54.840 0.165 0.000 0.924 214 L CB 0.024 42.166 42.059 0.139 0.000 1.137 214 L HN 0.005 nan 8.230 nan 0.000 0.457 215 S N -0.498 115.203 115.700 0.001 0.000 2.707 215 S HA 0.301 4.795 4.470 0.040 0.000 0.312 215 S C 0.696 175.213 174.600 -0.138 0.000 1.116 215 S CA -0.603 57.480 58.200 -0.194 0.000 1.078 215 S CB 1.323 64.138 63.200 -0.642 0.000 0.997 215 S HN 0.131 nan 8.310 nan 0.000 0.477 216 L N 6.593 127.743 121.223 -0.122 0.000 1.997 216 L HA -0.015 4.349 4.340 0.040 0.000 0.216 216 L C -0.934 175.882 176.870 -0.090 0.000 1.074 216 L CA 2.352 57.137 54.840 -0.091 0.000 0.763 216 L CB -0.957 41.052 42.059 -0.084 0.000 0.890 216 L HN 0.524 nan 8.230 nan 0.000 0.434 217 P HA -0.076 nan 4.420 nan 0.000 0.225 217 P C 1.508 178.797 177.300 -0.019 0.000 1.148 217 P CA 1.164 64.223 63.100 -0.070 0.000 0.779 217 P CB 0.060 31.714 31.700 -0.078 0.000 0.780 218 S N -1.050 114.657 115.700 0.013 0.000 2.496 218 S HA 0.036 4.530 4.470 0.040 0.000 0.224 218 S C 1.788 176.475 174.600 0.145 0.000 0.996 218 S CA 0.364 58.674 58.200 0.183 0.000 0.927 218 S CB -0.296 63.167 63.200 0.438 0.000 0.774 218 S HN 0.074 nan 8.310 nan 0.000 0.524 219 R N 1.888 122.364 120.500 -0.040 0.000 2.148 219 R HA 0.045 4.409 4.340 0.040 0.000 0.227 219 R C 2.179 178.230 176.300 -0.414 0.000 1.103 219 R CA 1.168 57.077 56.100 -0.319 0.000 0.983 219 R CB -1.052 29.117 30.300 -0.219 0.000 0.874 219 R HN 0.541 nan 8.270 nan 0.000 0.451 220 S N -0.051 115.518 115.700 -0.218 0.000 2.607 220 S HA 0.091 4.585 4.470 0.040 0.000 0.224 220 S C 1.601 176.099 174.600 -0.169 0.000 0.969 220 S CA 0.236 58.316 58.200 -0.199 0.000 0.927 220 S CB -0.160 62.978 63.200 -0.103 0.000 0.772 220 S HN 0.207 nan 8.310 nan 0.000 0.533 221 L N 0.363 121.513 121.223 -0.121 0.000 2.693 221 L HA 0.497 4.861 4.340 0.040 0.000 0.235 221 L C -0.063 176.899 176.870 0.153 0.000 1.127 221 L CA -0.311 54.555 54.840 0.044 0.000 0.914 221 L CB -0.034 42.104 42.059 0.132 0.000 1.193 221 L HN 0.523 nan 8.230 nan 0.000 0.502 222 F N -4.389 115.452 119.950 -0.182 0.000 2.773 222 F HA 0.426 4.977 4.527 0.040 0.000 0.314 222 F C 0.276 175.865 175.800 -0.352 0.000 1.160 222 F CA -0.997 56.925 58.000 -0.129 0.000 0.920 222 F CB 0.795 39.787 39.000 -0.013 0.000 1.323 222 F HN -0.166 nan 8.300 nan 0.000 0.457 223 H N -0.515 118.626 119.070 0.119 0.000 2.800 223 H HA 0.436 5.016 4.556 0.040 0.000 0.257 223 H C -0.032 175.354 175.328 0.097 0.000 0.967 223 H CA 0.006 56.048 56.048 -0.010 0.000 1.192 223 H CB 0.982 30.731 29.762 -0.021 0.000 1.441 223 H HN 0.401 nan 8.280 nan 0.000 0.461 224 R N 0.167 120.888 120.500 0.367 0.000 2.855 224 R HA 0.728 5.091 4.340 0.040 0.000 0.266 224 R C -1.360 175.193 176.300 0.422 0.000 1.034 224 R CA -0.703 55.568 56.100 0.285 0.000 0.944 224 R CB 2.825 33.094 30.300 -0.052 0.000 1.219 224 R HN 0.128 nan 8.270 nan 0.000 0.474 225 A N 0.851 123.930 122.820 0.431 0.000 2.520 225 A HA 0.645 4.988 4.320 0.040 0.000 0.298 225 A C -1.540 176.204 177.584 0.267 0.000 1.051 225 A CA -0.584 51.634 52.037 0.301 0.000 0.690 225 A CB 1.890 21.023 19.000 0.222 0.000 1.281 225 A HN 0.307 nan 8.150 nan 0.000 0.402 226 V N 2.217 122.247 119.914 0.195 0.000 2.483 226 V HA 0.512 4.656 4.120 0.040 0.000 0.297 226 V C -1.158 175.037 176.094 0.168 0.000 1.027 226 V CA -0.295 62.068 62.300 0.106 0.000 0.855 226 V CB 1.287 33.212 31.823 0.170 0.000 0.995 226 V HN 0.696 nan 8.190 nan 0.000 0.424 227 L N 5.167 126.457 121.223 0.111 0.000 2.316 227 L HA 0.552 4.916 4.340 0.040 0.000 0.280 227 L C -0.043 176.930 176.870 0.171 0.000 1.006 227 L CA 0.020 54.922 54.840 0.103 0.000 0.836 227 L CB 1.586 43.663 42.059 0.029 0.000 1.221 227 L HN 0.623 nan 8.230 nan 0.000 0.418 228 Q N 1.898 121.847 119.800 0.248 0.000 2.325 228 Q HA 0.449 4.813 4.340 0.040 0.000 0.262 228 Q C 0.201 176.336 176.000 0.226 0.000 0.968 228 Q CA -0.571 55.438 55.803 0.342 0.000 0.877 228 Q CB 1.519 30.549 28.738 0.488 0.000 1.253 228 Q HN 0.618 nan 8.270 nan 0.000 0.448 229 S N 1.040 116.861 115.700 0.201 0.000 3.614 229 S HA -0.173 4.320 4.470 0.040 0.000 0.360 229 S C 0.007 174.793 174.600 0.310 0.000 1.023 229 S CA 0.623 58.960 58.200 0.228 0.000 1.114 229 S CB -1.120 62.195 63.200 0.191 0.000 0.907 229 S HN 0.985 nan 8.310 nan 0.000 0.470 230 G N -0.520 108.426 108.800 0.244 0.000 2.556 230 G HA2 0.611 4.595 3.960 0.040 0.000 0.294 230 G HA3 0.611 4.595 3.960 0.040 0.000 0.294 230 G C -0.935 174.047 174.900 0.137 0.000 1.516 230 G CA 0.195 45.493 45.100 0.331 0.000 0.824 230 G HN 0.960 nan 8.290 nan 0.000 0.535 231 T N -1.265 113.314 114.554 0.042 0.000 2.894 231 T HA 0.753 5.127 4.350 0.040 0.000 0.309 231 T C -2.451 172.120 174.700 -0.216 0.000 1.208 231 T CA -1.366 60.677 62.100 -0.095 0.000 1.016 231 T CB 3.067 71.863 68.868 -0.120 0.000 1.192 231 T HN 0.253 nan 8.240 nan 0.000 0.491 232 P HA 0.026 nan 4.420 nan 0.000 0.224 232 P C 0.341 177.493 177.300 -0.246 0.000 1.157 232 P CA 0.573 63.562 63.100 -0.185 0.000 0.799 232 P CB -0.037 31.608 31.700 -0.092 0.000 0.809 233 N N 0.509 119.080 118.700 -0.216 0.000 2.364 233 N HA 0.291 5.055 4.740 0.040 0.000 0.264 233 N C 0.827 176.145 175.510 -0.321 0.000 1.263 233 N CA 0.532 53.454 53.050 -0.213 0.000 0.959 233 N CB -0.031 38.372 38.487 -0.139 0.000 1.204 233 N HN 0.177 nan 8.380 nan 0.000 0.550 234 G N -0.953 107.680 108.800 -0.278 0.000 2.655 234 G HA2 -0.140 3.844 3.960 0.040 0.000 0.680 234 G HA3 -0.140 3.844 3.960 0.040 0.000 0.680 234 G C -2.233 172.438 174.900 -0.381 0.000 1.302 234 G CA -0.164 44.731 45.100 -0.342 0.000 0.872 234 G HN 0.544 nan 8.290 nan 0.000 0.540 235 P HA 0.126 nan 4.420 nan 0.000 0.235 235 P C 1.467 178.697 177.300 -0.116 0.000 1.177 235 P CA 1.981 64.945 63.100 -0.225 0.000 0.785 235 P CB -0.033 31.506 31.700 -0.269 0.000 0.885 236 W N -1.518 119.690 121.300 -0.153 0.000 2.975 236 W HA 0.592 5.275 4.660 0.039 0.000 0.316 236 W C 0.959 177.544 176.519 0.109 0.000 1.131 236 W CA 0.425 57.756 57.345 -0.024 0.000 1.624 236 W CB -0.760 28.728 29.460 0.046 0.000 1.038 236 W HN -0.166 nan 8.180 nan 0.000 0.571 237 A N 1.799 124.297 122.820 -0.537 0.000 2.132 237 A HA 0.167 4.511 4.320 0.040 0.000 0.213 237 A C 1.136 178.540 177.584 -0.301 0.000 1.154 237 A CA 1.662 53.412 52.037 -0.477 0.000 0.753 237 A CB -0.680 17.796 19.000 -0.874 0.000 0.826 237 A HN 0.209 nan 8.150 nan 0.000 0.469 238 T N -3.119 111.286 114.554 -0.248 0.000 2.865 238 T HA 0.644 5.018 4.350 0.040 0.000 0.294 238 T C -0.606 174.008 174.700 -0.142 0.000 1.119 238 T CA -0.103 61.868 62.100 -0.213 0.000 1.007 238 T CB 1.418 70.174 68.868 -0.185 0.000 1.225 238 T HN 0.914 nan 8.240 nan 0.000 0.515 239 V N -1.395 118.445 119.914 -0.123 0.000 3.078 239 V HA 0.895 5.038 4.120 0.040 0.000 0.311 239 V C 0.248 176.297 176.094 -0.075 0.000 1.138 239 V CA -0.807 61.437 62.300 -0.094 0.000 1.007 239 V CB 1.316 33.082 31.823 -0.094 0.000 1.045 239 V HN 1.401 nan 8.190 nan 0.000 0.432 240 S N 1.808 117.470 115.700 -0.063 0.000 2.600 240 S HA 0.572 5.066 4.470 0.040 0.000 0.265 240 S C 1.476 176.054 174.600 -0.037 0.000 1.325 240 S CA 0.159 58.331 58.200 -0.047 0.000 1.002 240 S CB 1.145 64.319 63.200 -0.044 0.000 0.921 240 S HN 2.042 nan 8.310 nan 0.000 0.554 241 A N 2.264 125.069 122.820 -0.025 0.000 1.873 241 A HA 0.036 4.380 4.320 0.040 0.000 0.218 241 A C 2.288 179.860 177.584 -0.020 0.000 1.193 241 A CA 2.072 54.100 52.037 -0.015 0.000 0.629 241 A CB -1.997 16.998 19.000 -0.009 0.000 0.826 241 A HN 1.247 nan 8.150 nan 0.000 0.447 242 G N -0.668 108.117 108.800 -0.024 0.000 2.440 242 G HA2 -0.282 3.702 3.960 0.040 0.000 0.218 242 G HA3 -0.282 3.702 3.960 0.040 0.000 0.218 242 G C 1.486 176.364 174.900 -0.035 0.000 1.154 242 G CA 1.510 46.594 45.100 -0.027 0.000 0.767 242 G HN 0.605 nan 8.290 nan 0.000 0.552 243 E N 0.807 120.980 120.200 -0.045 0.000 2.152 243 E HA 0.159 4.533 4.350 0.040 0.000 0.192 243 E C 2.608 179.167 176.600 -0.069 0.000 0.983 243 E CA 1.252 57.614 56.400 -0.063 0.000 0.818 243 E CB -0.475 29.179 29.700 -0.075 0.000 0.758 243 E HN 0.280 nan 8.360 nan 0.000 0.467 244 A N 0.894 123.684 122.820 -0.049 0.000 1.930 244 A HA -0.144 4.200 4.320 0.040 0.000 0.217 244 A C 2.263 179.849 177.584 0.003 0.000 1.175 244 A CA 1.583 53.605 52.037 -0.024 0.000 0.627 244 A CB -0.574 18.432 19.000 0.011 0.000 0.815 244 A HN 0.268 nan 8.150 nan 0.000 0.443 245 R N -0.430 120.065 120.500 -0.008 0.000 2.096 245 R HA -0.122 4.242 4.340 0.040 0.000 0.235 245 R C 2.404 178.698 176.300 -0.010 0.000 1.127 245 R CA 1.600 57.696 56.100 -0.007 0.000 0.968 245 R CB -0.299 29.993 30.300 -0.013 0.000 0.861 245 R HN 0.518 nan 8.270 nan 0.000 0.440 246 R N 0.421 120.907 120.500 -0.024 0.000 2.075 246 R HA -0.080 4.284 4.340 0.040 0.000 0.232 246 R C 2.182 178.466 176.300 -0.026 0.000 1.126 246 R CA 1.451 57.534 56.100 -0.029 0.000 0.963 246 R CB -0.064 30.211 30.300 -0.042 0.000 0.858 246 R HN 0.255 nan 8.270 nan 0.000 0.435 247 R N -0.033 120.438 120.500 -0.048 0.000 2.096 247 R HA -0.065 4.298 4.340 0.040 0.000 0.235 247 R C 2.343 178.703 176.300 0.099 0.000 1.127 247 R CA 1.336 57.398 56.100 -0.063 0.000 0.968 247 R CB -0.319 29.815 30.300 -0.277 0.000 0.861 247 R HN 0.237 nan 8.270 nan 0.000 0.440 248 A N 0.728 123.631 122.820 0.138 0.000 1.855 248 A HA -0.146 4.198 4.320 0.040 0.000 0.215 248 A C 2.207 179.814 177.584 0.038 0.000 1.191 248 A CA 1.948 54.064 52.037 0.131 0.000 0.613 248 A CB -0.979 18.045 19.000 0.040 0.000 0.829 248 A HN 0.276 nan 8.150 nan 0.000 0.442 249 T N 0.289 114.849 114.554 0.011 0.000 2.699 249 T HA -0.195 4.178 4.350 0.040 0.000 0.268 249 T C 1.815 176.517 174.700 0.003 0.000 1.036 249 T CA 1.672 63.770 62.100 -0.004 0.000 1.147 249 T CB -0.429 68.433 68.868 -0.009 0.000 0.862 249 T HN 0.273 nan 8.240 nan 0.000 0.446 250 L N 0.742 121.975 121.223 0.016 0.000 2.017 250 L HA 0.095 4.459 4.340 0.040 0.000 0.208 250 L C 2.213 179.101 176.870 0.030 0.000 1.073 250 L CA 1.407 56.258 54.840 0.018 0.000 0.745 250 L CB -1.000 41.068 42.059 0.015 0.000 0.894 250 L HN 0.184 nan 8.230 nan 0.000 0.432 251 L N -0.192 121.075 121.223 0.073 0.000 2.012 251 L HA -0.140 4.223 4.340 0.040 0.000 0.210 251 L C 2.520 179.387 176.870 -0.005 0.000 1.073 251 L CA 2.140 57.025 54.840 0.075 0.000 0.748 251 L CB -0.982 41.174 42.059 0.162 0.000 0.891 251 L HN 0.288 nan 8.230 nan 0.000 0.431 252 A N -0.525 122.287 122.820 -0.014 0.000 1.908 252 A HA -0.273 4.071 4.320 0.040 0.000 0.218 252 A C 2.547 180.110 177.584 -0.036 0.000 1.181 252 A CA 1.943 53.961 52.037 -0.032 0.000 0.627 252 A CB -0.716 18.263 19.000 -0.035 0.000 0.818 252 A HN 0.519 nan 8.150 nan 0.000 0.445 253 R N -0.389 120.093 120.500 -0.030 0.000 2.081 253 R HA -0.043 4.320 4.340 0.040 0.000 0.235 253 R C 1.913 178.174 176.300 -0.065 0.000 1.131 253 R CA 1.432 57.512 56.100 -0.034 0.000 0.960 253 R CB -0.385 29.903 30.300 -0.019 0.000 0.856 253 R HN 0.536 nan 8.270 nan 0.000 0.436 254 L N 0.856 122.022 121.223 -0.096 0.000 2.265 254 L HA -0.099 4.265 4.340 0.040 0.000 0.215 254 L C 1.827 178.478 176.870 -0.365 0.000 1.117 254 L CA 0.776 55.482 54.840 -0.223 0.000 0.782 254 L CB 0.020 41.935 42.059 -0.239 0.000 0.914 254 L HN 0.196 nan 8.230 nan 0.000 0.441 255 V N -4.082 115.706 119.914 -0.211 0.000 3.271 255 V HA 0.514 4.658 4.120 0.040 0.000 0.327 255 V C 1.173 177.234 176.094 -0.056 0.000 1.389 255 V CA 0.236 62.455 62.300 -0.136 0.000 1.156 255 V CB -0.231 31.564 31.823 -0.047 0.000 1.103 255 V HN 0.421 nan 8.190 nan 0.000 0.453 256 G N -0.343 108.425 108.800 -0.055 0.000 2.143 256 G HA2 -0.247 3.736 3.960 0.040 0.000 0.249 256 G HA3 -0.247 3.736 3.960 0.040 0.000 0.249 256 G C 0.136 175.029 174.900 -0.012 0.000 0.981 256 G CA 0.017 45.103 45.100 -0.023 0.000 0.665 256 G HN 0.699 nan 8.290 nan 0.000 0.528 257 c N 2.136 120.727 118.600 -0.016 0.000 2.350 257 c HA 0.734 5.328 4.570 0.040 0.000 0.348 257 c C -0.802 173.282 174.090 -0.010 0.000 1.260 257 c CA -1.100 55.224 56.329 -0.008 0.000 1.966 257 c CB 1.298 43.805 42.510 -0.005 0.000 2.380 257 c HN 0.495 nan 8.230 nan 0.000 0.535 266 D N 0.013 120.410 120.400 -0.004 0.000 2.097 266 D HA -0.092 4.572 4.640 0.040 0.000 0.195 266 D C 1.103 177.401 176.300 -0.003 0.000 0.989 266 D CA 2.337 56.332 54.000 -0.009 0.000 0.827 266 D CB -0.547 40.248 40.800 -0.009 0.000 0.966 266 D HN 0.717 nan 8.370 nan 0.000 0.456 267 T N 1.106 115.664 114.554 0.007 0.000 2.653 267 T HA -0.192 4.182 4.350 0.040 0.000 0.268 267 T C 1.819 176.530 174.700 0.019 0.000 1.035 267 T CA 1.469 63.579 62.100 0.016 0.000 1.154 267 T CB -0.267 68.612 68.868 0.017 0.000 0.862 267 T HN 0.305 nan 8.240 nan 0.000 0.441 268 E N 0.288 120.496 120.200 0.012 0.000 2.072 268 E HA -0.034 4.339 4.350 0.040 0.000 0.191 268 E C 2.231 178.838 176.600 0.012 0.000 0.985 268 E CA 0.740 57.148 56.400 0.013 0.000 0.801 268 E CB -0.225 29.480 29.700 0.008 0.000 0.750 268 E HN 0.362 nan 8.360 nan 0.000 0.452 269 L N 0.763 121.988 121.223 0.003 0.000 2.056 269 L HA -0.148 4.216 4.340 0.040 0.000 0.207 269 L C 2.168 179.036 176.870 -0.003 0.000 1.078 269 L CA 1.118 55.954 54.840 -0.007 0.000 0.749 269 L CB -0.041 42.005 42.059 -0.022 0.000 0.901 269 L HN 0.099 nan 8.230 nan 0.000 0.433 270 I N -0.100 120.470 120.570 -0.000 0.000 2.252 270 I HA -0.266 3.928 4.170 0.040 0.000 0.245 270 I C 2.716 178.896 176.117 0.105 0.000 1.102 270 I CA 1.109 62.430 61.300 0.035 0.000 1.385 270 I CB -0.548 37.475 38.000 0.040 0.000 1.064 270 I HN 0.335 nan 8.210 nan 0.000 0.414 271 A N -0.308 122.554 122.820 0.070 0.000 1.908 271 A HA -0.308 4.035 4.320 0.040 0.000 0.218 271 A C 2.533 180.157 177.584 0.066 0.000 1.181 271 A CA 2.034 54.111 52.037 0.067 0.000 0.627 271 A CB -1.420 17.606 19.000 0.043 0.000 0.818 271 A HN 0.624 nan 8.150 nan 0.000 0.445 272 c N -0.611 118.020 118.600 0.051 0.000 2.429 272 c HA -0.006 4.588 4.570 0.040 0.000 0.277 272 c C 2.606 176.734 174.090 0.064 0.000 1.262 272 c CA 1.086 57.441 56.329 0.044 0.000 1.733 272 c CB -1.603 40.922 42.510 0.026 0.000 2.010 272 c HN 0.589 nan 8.230 nan 0.000 0.483 273 L N 0.308 121.585 121.223 0.090 0.000 2.079 273 L HA -0.133 4.231 4.340 0.040 0.000 0.210 273 L C 2.984 179.974 176.870 0.200 0.000 1.081 273 L CA 1.580 56.508 54.840 0.147 0.000 0.752 273 L CB -0.632 41.518 42.059 0.152 0.000 0.896 273 L HN 0.346 nan 8.230 nan 0.000 0.433 274 R N -0.628 119.988 120.500 0.193 0.000 2.237 274 R HA -0.116 4.248 4.340 0.040 0.000 0.219 274 R C 2.183 178.506 176.300 0.038 0.000 1.080 274 R CA 1.628 57.783 56.100 0.092 0.000 0.995 274 R CB -0.324 30.020 30.300 0.074 0.000 0.875 274 R HN 0.521 nan 8.270 nan 0.000 0.462 275 T N -1.614 112.968 114.554 0.047 0.000 3.067 275 T HA 0.081 4.455 4.350 0.040 0.000 0.261 275 T C 0.924 175.640 174.700 0.026 0.000 1.110 275 T CA 0.022 62.139 62.100 0.028 0.000 1.113 275 T CB 0.157 69.041 68.868 0.027 0.000 0.917 275 T HN -0.131 nan 8.240 nan 0.000 0.499 276 R N 2.732 123.257 120.500 0.041 0.000 2.340 276 R HA 0.388 4.752 4.340 0.040 0.000 0.300 276 R C -2.670 173.648 176.300 0.031 0.000 1.069 276 R CA -2.670 53.455 56.100 0.042 0.000 0.984 276 R CB -0.059 30.276 30.300 0.058 0.000 1.003 276 R HN 0.258 nan 8.270 nan 0.000 0.459 277 P HA -0.075 nan 4.420 nan 0.000 0.264 277 P C 0.398 177.691 177.300 -0.013 0.000 1.179 277 P CA 0.331 63.421 63.100 -0.016 0.000 0.763 277 P CB 0.530 32.228 31.700 -0.003 0.000 0.806 278 A N 2.989 125.731 122.820 -0.130 0.000 1.917 278 A HA -0.291 4.053 4.320 0.040 0.000 0.219 278 A C 2.147 179.733 177.584 0.004 0.000 1.182 278 A CA 2.019 53.974 52.037 -0.137 0.000 0.633 278 A CB -1.194 17.211 19.000 -0.992 0.000 0.819 278 A HN 0.530 nan 8.150 nan 0.000 0.448 279 Q N 0.062 119.838 119.800 -0.041 0.000 2.167 279 Q HA -0.149 4.215 4.340 0.040 0.000 0.202 279 Q C 1.257 177.371 176.000 0.189 0.000 0.970 279 Q CA 1.932 57.868 55.803 0.222 0.000 0.855 279 Q CB -0.430 28.439 28.738 0.219 0.000 0.911 279 Q HN 0.657 nan 8.270 nan 0.000 0.438 280 D N -0.383 120.097 120.400 0.134 0.000 2.123 280 D HA -0.162 4.502 4.640 0.040 0.000 0.196 280 D C 1.764 178.174 176.300 0.184 0.000 0.992 280 D CA 1.147 55.240 54.000 0.156 0.000 0.833 280 D CB -0.186 40.691 40.800 0.129 0.000 0.954 280 D HN 0.311 nan 8.370 nan 0.000 0.455 281 L N 0.158 121.463 121.223 0.136 0.000 2.027 281 L HA -0.126 4.238 4.340 0.040 0.000 0.206 281 L C 2.516 179.459 176.870 0.122 0.000 1.074 281 L CA 0.697 55.576 54.840 0.066 0.000 0.745 281 L CB -0.656 41.322 42.059 -0.135 0.000 0.898 281 L HN -0.040 nan 8.230 nan 0.000 0.433 282 V N -0.128 119.921 119.914 0.226 0.000 2.392 282 V HA -0.291 3.853 4.120 0.040 0.000 0.249 282 V C 2.140 178.353 176.094 0.198 0.000 1.059 282 V CA 1.801 64.279 62.300 0.297 0.000 1.051 282 V CB -0.611 31.494 31.823 0.469 0.000 0.658 282 V HN 0.415 nan 8.190 nan 0.000 0.455 283 D N -0.842 119.633 120.400 0.124 0.000 2.158 283 D HA -0.156 4.508 4.640 0.040 0.000 0.197 283 D C 1.892 178.005 176.300 -0.312 0.000 0.995 283 D CA 1.417 55.379 54.000 -0.063 0.000 0.846 283 D CB -0.176 40.552 40.800 -0.119 0.000 0.941 283 D HN 0.544 nan 8.370 nan 0.000 0.456 284 H N -0.703 118.322 119.070 -0.074 0.000 2.755 284 H HA 0.150 4.730 4.556 0.040 0.000 0.273 284 H C 1.475 176.720 175.328 -0.139 0.000 1.055 284 H CA -0.099 55.778 56.048 -0.287 0.000 1.191 284 H CB 0.734 30.411 29.762 -0.142 0.000 1.536 284 H HN 0.281 nan 8.280 nan 0.000 0.529 285 E N 0.964 121.253 120.200 0.148 0.000 2.097 285 E HA -0.212 4.162 4.350 0.040 0.000 0.196 285 E C 1.644 178.446 176.600 0.337 0.000 1.000 285 E CA 0.946 57.541 56.400 0.325 0.000 0.804 285 E CB 0.015 29.924 29.700 0.348 0.000 0.740 285 E HN 0.531 nan 8.360 nan 0.000 0.454 286 W N 0.452 121.757 121.300 0.007 0.000 2.519 286 W HA -0.081 4.602 4.660 0.039 0.000 0.266 286 W C 0.958 177.598 176.519 0.202 0.000 1.253 286 W CA 0.817 58.199 57.345 0.060 0.000 1.274 286 W CB 0.078 29.562 29.460 0.040 0.000 1.114 286 W HN 0.314 nan 8.180 nan 0.000 0.596 287 H N -0.387 118.771 119.070 0.146 0.000 2.543 287 H HA -0.053 4.527 4.556 0.040 0.000 0.269 287 H C 1.935 177.246 175.328 -0.029 0.000 1.005 287 H CA 0.476 56.557 56.048 0.055 0.000 1.146 287 H CB 0.089 29.936 29.762 0.142 0.000 1.353 287 H HN 0.065 nan 8.280 nan 0.000 0.595 288 V N -1.604 118.322 119.914 0.020 0.000 3.650 288 V HA 0.127 4.271 4.120 0.040 0.000 0.271 288 V C 0.695 176.673 176.094 -0.193 0.000 1.281 288 V CA -0.053 62.205 62.300 -0.071 0.000 1.120 288 V CB -0.342 31.436 31.823 -0.076 0.000 0.856 288 V HN 0.146 nan 8.190 nan 0.000 0.443 289 L N 2.397 123.443 121.223 -0.296 0.000 2.490 289 L HA 0.209 4.573 4.340 0.040 0.000 0.274 289 L C -0.420 176.310 176.870 -0.233 0.000 1.201 289 L CA -0.853 53.774 54.840 -0.356 0.000 0.869 289 L CB 0.696 42.402 42.059 -0.587 0.000 1.123 289 L HN 0.172 nan 8.230 nan 0.000 0.484 290 P HA -0.043 nan 4.420 nan 0.000 0.227 290 P C -0.274 176.958 177.300 -0.114 0.000 1.161 290 P CA 0.856 63.877 63.100 -0.131 0.000 0.788 290 P CB 0.558 32.189 31.700 -0.114 0.000 0.822 291 Q N -0.933 118.786 119.800 -0.135 0.000 2.416 291 Q HA 0.284 4.648 4.340 0.040 0.000 0.281 291 Q C -0.726 175.205 176.000 -0.116 0.000 1.067 291 Q CA -0.690 55.052 55.803 -0.103 0.000 0.809 291 Q CB 1.851 30.541 28.738 -0.079 0.000 1.418 291 Q HN -0.048 nan 8.270 nan 0.000 0.411 292 E N 1.293 121.452 120.200 -0.069 0.000 2.694 292 E HA 0.163 4.537 4.350 0.040 0.000 0.250 292 E C -0.996 175.584 176.600 -0.035 0.000 0.963 292 E CA 0.350 56.730 56.400 -0.034 0.000 0.949 292 E CB 0.226 29.925 29.700 -0.003 0.000 0.911 292 E HN 0.582 nan 8.360 nan 0.000 0.500 293 S N 3.649 119.333 115.700 -0.026 0.000 2.587 293 S HA 0.611 5.105 4.470 0.040 0.000 0.269 293 S C -0.509 174.109 174.600 0.030 0.000 1.154 293 S CA -1.052 57.131 58.200 -0.028 0.000 0.824 293 S CB 0.747 63.888 63.200 -0.099 0.000 1.118 293 S HN 0.539 nan 8.310 nan 0.000 0.462 294 I N -2.589 117.996 120.570 0.025 0.000 2.957 294 I HA 0.818 5.012 4.170 0.040 0.000 0.310 294 I C -0.211 175.879 176.117 -0.046 0.000 1.063 294 I CA -1.195 60.143 61.300 0.063 0.000 1.033 294 I CB 1.187 39.270 38.000 0.139 0.000 1.230 294 I HN 0.788 nan 8.210 nan 0.000 0.447 295 F N 1.695 121.433 119.950 -0.354 0.000 3.091 295 F HA -0.185 4.366 4.527 0.039 0.000 0.288 295 F C -0.292 174.936 175.800 -0.954 0.000 0.907 295 F CA 0.662 58.175 58.000 -0.812 0.000 1.028 295 F CB -0.614 37.844 39.000 -0.903 0.000 1.022 295 F HN 0.583 nan 8.300 nan 0.000 0.665 296 R N 0.328 120.342 120.500 -0.810 0.000 2.686 296 R HA 0.666 5.029 4.340 0.040 0.000 0.283 296 R C -1.032 174.761 176.300 -0.846 0.000 0.978 296 R CA -0.588 55.086 56.100 -0.710 0.000 0.897 296 R CB 1.514 31.605 30.300 -0.347 0.000 1.192 296 R HN 0.001 nan 8.270 nan 0.000 0.457 297 F N -0.806 119.188 119.950 0.074 0.000 2.565 297 F HA 0.343 4.894 4.527 0.040 0.000 0.313 297 F C 1.453 177.234 175.800 -0.031 0.000 1.091 297 F CA -0.803 57.265 58.000 0.113 0.000 0.915 297 F CB 1.946 41.162 39.000 0.361 0.000 1.208 297 F HN 0.355 nan 8.300 nan 0.000 0.453 298 S N 0.830 116.590 115.700 0.101 0.000 2.368 298 S HA 0.009 4.502 4.470 0.040 0.000 0.224 298 S C -0.092 174.195 174.600 -0.522 0.000 1.029 298 S CA 1.198 59.233 58.200 -0.276 0.000 0.988 298 S CB -0.194 62.890 63.200 -0.193 0.000 0.838 298 S HN 0.371 nan 8.310 nan 0.000 0.462 299 F N 1.188 121.273 119.950 0.225 0.000 2.500 299 F HA 0.543 5.094 4.527 0.040 0.000 0.349 299 F C -0.162 175.722 175.800 0.140 0.000 1.127 299 F CA -0.960 57.161 58.000 0.202 0.000 0.998 299 F CB 1.511 40.669 39.000 0.262 0.000 1.237 299 F HN -0.119 nan 8.300 nan 0.000 0.439 300 V N 0.695 120.614 119.914 0.008 0.000 3.167 300 V HA 0.775 4.919 4.120 0.040 0.000 0.310 300 V C -2.934 172.811 176.094 -0.581 0.000 1.207 300 V CA -3.290 58.679 62.300 -0.551 0.000 1.059 300 V CB 2.066 33.730 31.823 -0.266 0.000 1.079 300 V HN 0.260 nan 8.190 nan 0.000 0.446 301 P HA 0.210 nan 4.420 nan 0.000 0.266 301 P C -0.772 176.390 177.300 -0.229 0.000 1.193 301 P CA 0.335 63.159 63.100 -0.459 0.000 0.770 301 P CB 0.700 32.046 31.700 -0.591 0.000 0.836 302 V N 4.390 124.248 119.914 -0.094 0.000 2.581 302 V HA 0.240 4.384 4.120 0.040 0.000 0.303 302 V C -0.389 175.685 176.094 -0.032 0.000 1.041 302 V CA -0.924 61.345 62.300 -0.052 0.000 0.907 302 V CB 2.100 33.923 31.823 -0.000 0.000 0.994 302 V HN 0.135 nan 8.190 nan 0.000 0.442 303 V N 7.337 127.232 119.914 -0.033 0.000 2.377 303 V HA 0.156 4.300 4.120 0.040 0.000 0.254 303 V C 0.850 176.949 176.094 0.009 0.000 1.060 303 V CA 0.414 62.708 62.300 -0.010 0.000 1.068 303 V CB 0.146 31.955 31.823 -0.023 0.000 1.113 303 V HN 1.060 nan 8.190 nan 0.000 0.484 304 D N 2.806 123.227 120.400 0.035 0.000 2.367 304 D HA 0.115 4.779 4.640 0.040 0.000 0.207 304 D C 1.588 177.912 176.300 0.040 0.000 1.034 304 D CA 0.718 54.742 54.000 0.041 0.000 0.861 304 D CB 0.379 41.218 40.800 0.065 0.000 0.943 304 D HN 0.670 nan 8.370 nan 0.000 0.515 305 G N 0.662 109.485 108.800 0.038 0.000 2.189 305 G HA2 -0.351 3.633 3.960 0.040 0.000 0.267 305 G HA3 -0.351 3.633 3.960 0.040 0.000 0.267 305 G C 0.491 175.414 174.900 0.037 0.000 0.975 305 G CA 0.868 45.985 45.100 0.028 0.000 0.644 305 G HN 0.551 nan 8.290 nan 0.000 0.537 306 D N -1.496 118.943 120.400 0.066 0.000 3.013 306 D HA 0.277 4.941 4.640 0.040 0.000 0.235 306 D C 1.812 178.169 176.300 0.095 0.000 1.540 306 D CA 0.384 54.429 54.000 0.075 0.000 1.303 306 D CB -0.582 40.272 40.800 0.091 0.000 0.980 306 D HN 0.072 nan 8.370 nan 0.000 0.250 307 F N 1.027 120.986 119.950 0.014 0.000 2.065 307 F HA 0.070 4.621 4.527 0.040 0.000 0.298 307 F C 0.566 176.367 175.800 0.001 0.000 1.112 307 F CA 1.329 59.337 58.000 0.013 0.000 1.212 307 F CB 0.045 39.051 39.000 0.011 0.000 0.975 307 F HN -0.001 nan 8.300 nan 0.000 0.476 308 L N 0.856 122.242 121.223 0.272 0.000 2.283 308 L HA 0.197 4.561 4.340 0.040 0.000 0.281 308 L C 1.386 178.295 176.870 0.065 0.000 1.033 308 L CA -0.215 54.712 54.840 0.144 0.000 0.848 308 L CB 1.227 43.367 42.059 0.135 0.000 1.226 308 L HN 0.074 nan 8.230 nan 0.000 0.429 309 S N 0.296 116.013 115.700 0.028 0.000 2.419 309 S HA -0.053 4.441 4.470 0.040 0.000 0.233 309 S C 0.499 175.105 174.600 0.009 0.000 1.016 309 S CA 0.645 58.851 58.200 0.011 0.000 0.974 309 S CB 0.065 63.261 63.200 -0.007 0.000 0.786 309 S HN 0.709 nan 8.310 nan 0.000 0.492 310 D N 0.129 120.536 120.400 0.011 0.000 2.677 310 D HA 0.312 4.976 4.640 0.040 0.000 0.298 310 D C -0.800 175.500 176.300 0.001 0.000 1.250 310 D CA -0.067 53.934 54.000 0.003 0.000 0.888 310 D CB 1.435 42.234 40.800 -0.001 0.000 1.397 310 D HN 0.205 nan 8.370 nan 0.000 0.461 311 T N -0.868 113.679 114.554 -0.011 0.000 2.937 311 T HA 0.189 4.563 4.350 0.040 0.000 0.316 311 T C -1.817 172.873 174.700 -0.016 0.000 1.079 311 T CA -0.679 61.407 62.100 -0.024 0.000 1.131 311 T CB 0.839 69.687 68.868 -0.034 0.000 1.000 311 T HN 0.111 nan 8.240 nan 0.000 0.549 312 P HA -0.072 nan 4.420 nan 0.000 0.218 312 P C 1.347 178.638 177.300 -0.014 0.000 1.148 312 P CA 0.982 64.068 63.100 -0.023 0.000 0.822 312 P CB 0.087 31.745 31.700 -0.070 0.000 0.784 313 E N -0.301 119.880 120.200 -0.032 0.000 2.031 313 E HA -0.154 4.220 4.350 0.040 0.000 0.193 313 E C 2.191 178.793 176.600 0.004 0.000 0.994 313 E CA 1.645 58.033 56.400 -0.020 0.000 0.800 313 E CB -1.193 28.487 29.700 -0.034 0.000 0.752 313 E HN 0.091 nan 8.360 nan 0.000 0.447 314 A N 0.577 123.397 122.820 0.000 0.000 1.908 314 A HA -0.195 4.149 4.320 0.040 0.000 0.218 314 A C 2.207 179.807 177.584 0.027 0.000 1.181 314 A CA 1.373 53.415 52.037 0.008 0.000 0.627 314 A CB -0.729 18.271 19.000 -0.001 0.000 0.818 314 A HN 0.206 nan 8.150 nan 0.000 0.445 315 L N -0.244 121.002 121.223 0.039 0.000 2.109 315 L HA -0.113 4.251 4.340 0.040 0.000 0.207 315 L C 2.590 179.553 176.870 0.155 0.000 1.086 315 L CA 1.450 56.332 54.840 0.070 0.000 0.760 315 L CB -0.601 41.504 42.059 0.076 0.000 0.910 315 L HN 0.678 nan 8.230 nan 0.000 0.437 316 I N -2.917 117.749 120.570 0.160 0.000 2.439 316 I HA -0.127 4.067 4.170 0.040 0.000 0.251 316 I C 1.946 178.195 176.117 0.221 0.000 1.139 316 I CA 1.157 62.606 61.300 0.248 0.000 1.438 316 I CB -0.453 37.600 38.000 0.089 0.000 1.085 316 I HN 0.166 nan 8.210 nan 0.000 0.427 317 N N 1.544 120.311 118.700 0.113 0.000 2.244 317 N HA -0.115 4.649 4.740 0.040 0.000 0.183 317 N C 1.817 177.367 175.510 0.066 0.000 1.016 317 N CA 2.159 55.258 53.050 0.080 0.000 0.866 317 N CB -0.351 38.162 38.487 0.042 0.000 0.980 317 N HN 0.691 nan 8.380 nan 0.000 0.430 318 T N -3.904 110.675 114.554 0.042 0.000 3.040 318 T HA 0.309 4.683 4.350 0.040 0.000 0.266 318 T C 0.951 175.593 174.700 -0.097 0.000 1.005 318 T CA -0.360 61.731 62.100 -0.015 0.000 0.906 318 T CB 0.086 68.940 68.868 -0.025 0.000 1.082 318 T HN 0.048 nan 8.240 nan 0.000 0.531 319 G N 0.949 109.655 108.800 -0.157 0.000 2.544 319 G HA2 0.387 4.371 3.960 0.040 0.000 0.242 319 G HA3 0.387 4.371 3.960 0.040 0.000 0.242 319 G C -0.986 173.483 174.900 -0.718 0.000 1.247 319 G CA -0.390 44.372 45.100 -0.565 0.000 0.840 319 G HN 0.286 nan 8.290 nan 0.000 0.578 320 D N 0.352 120.340 120.400 -0.687 0.000 2.359 320 D HA 0.337 5.000 4.640 0.040 0.000 0.230 320 D C -0.354 175.598 176.300 -0.578 0.000 1.118 320 D CA -0.538 53.178 54.000 -0.473 0.000 0.844 320 D CB 0.517 41.172 40.800 -0.242 0.000 1.059 320 D HN 0.105 nan 8.370 nan 0.000 0.493 321 F N 2.014 121.967 119.950 0.005 0.000 2.855 321 F HA 0.214 4.765 4.527 0.040 0.000 0.317 321 F C 1.923 177.730 175.800 0.012 0.000 1.169 321 F CA -0.380 57.627 58.000 0.011 0.000 1.299 321 F CB 0.281 39.296 39.000 0.025 0.000 0.962 321 F HN 0.360 nan 8.300 nan 0.000 0.506 322 Q N -0.005 119.857 119.800 0.102 0.000 2.119 322 Q HA -0.119 4.245 4.340 0.040 0.000 0.201 322 Q C 0.375 176.414 176.000 0.065 0.000 0.972 322 Q CA 1.166 57.012 55.803 0.072 0.000 0.847 322 Q CB 0.047 28.802 28.738 0.028 0.000 0.903 322 Q HN 0.316 nan 8.270 nan 0.000 0.433 323 D N 0.407 120.840 120.400 0.054 0.000 2.706 323 D HA 0.167 4.831 4.640 0.040 0.000 0.236 323 D C -0.806 175.529 176.300 0.059 0.000 1.231 323 D CA 0.045 54.071 54.000 0.043 0.000 0.828 323 D CB 0.131 40.940 40.800 0.016 0.000 1.015 323 D HN 0.014 nan 8.370 nan 0.000 0.484 324 L N 0.935 122.216 121.223 0.098 0.000 2.362 324 L HA 0.350 4.714 4.340 0.040 0.000 0.275 324 L C -1.056 175.891 176.870 0.129 0.000 0.998 324 L CA -0.503 54.410 54.840 0.121 0.000 0.820 324 L CB 2.035 44.199 42.059 0.176 0.000 1.270 324 L HN -0.244 nan 8.230 nan 0.000 0.415 325 Q N 3.544 123.434 119.800 0.150 0.000 2.316 325 Q HA 0.784 5.147 4.340 0.040 0.000 0.264 325 Q C -1.394 174.845 176.000 0.399 0.000 0.987 325 Q CA -0.487 55.453 55.803 0.228 0.000 0.852 325 Q CB 2.543 31.367 28.738 0.143 0.000 1.287 325 Q HN 0.482 nan 8.270 nan 0.000 0.448 326 V N 2.345 122.479 119.914 0.366 0.000 2.686 326 V HA 0.471 4.615 4.120 0.040 0.000 0.306 326 V C -1.330 174.741 176.094 -0.039 0.000 1.065 326 V CA -0.921 61.511 62.300 0.221 0.000 0.894 326 V CB 1.787 33.643 31.823 0.055 0.000 1.004 326 V HN 0.600 nan 8.190 nan 0.000 0.424 327 L N 6.577 127.545 121.223 -0.424 0.000 2.287 327 L HA 0.869 5.233 4.340 0.040 0.000 0.287 327 L C -0.332 176.410 176.870 -0.212 0.000 1.022 327 L CA -0.062 54.431 54.840 -0.580 0.000 0.814 327 L CB 1.505 42.775 42.059 -1.315 0.000 1.217 327 L HN 0.680 nan 8.230 nan 0.000 0.420 328 V N 2.203 122.053 119.914 -0.107 0.000 2.962 328 V HA 1.127 5.271 4.120 0.040 0.000 0.313 328 V C -0.182 175.683 176.094 -0.381 0.000 1.099 328 V CA 0.170 62.392 62.300 -0.129 0.000 0.971 328 V CB 1.202 32.922 31.823 -0.172 0.000 1.028 328 V HN 1.020 nan 8.190 nan 0.000 0.430 329 G N 0.847 109.292 108.800 -0.593 0.000 2.488 329 G HA2 0.790 4.774 3.960 0.040 0.000 0.301 329 G HA3 0.790 4.774 3.960 0.040 0.000 0.301 329 G C -1.180 173.433 174.900 -0.480 0.000 1.339 329 G CA 0.046 44.415 45.100 -1.218 0.000 0.803 329 G HN 2.061 nan 8.290 nan 0.000 0.482 330 V N -2.360 117.402 119.914 -0.254 0.000 3.130 330 V HA 0.922 5.066 4.120 0.040 0.000 0.310 330 V C 0.268 176.566 176.094 0.340 0.000 1.158 330 V CA -0.420 61.944 62.300 0.107 0.000 1.029 330 V CB 1.112 32.973 31.823 0.065 0.000 1.057 330 V HN 1.796 nan 8.190 nan 0.000 0.436 331 V N -0.414 119.713 119.914 0.355 0.000 3.096 331 V HA 0.582 4.726 4.120 0.040 0.000 0.319 331 V C 1.353 177.651 176.094 0.340 0.000 1.082 331 V CA -0.009 62.550 62.300 0.431 0.000 1.022 331 V CB 1.319 33.385 31.823 0.405 0.000 1.103 331 V HN 1.092 nan 8.190 nan 0.000 0.455 332 K N -0.427 120.174 120.400 0.334 0.000 2.211 332 K HA -0.020 4.323 4.320 0.040 0.000 0.203 332 K C 0.160 176.891 176.600 0.220 0.000 1.050 332 K CA 1.602 58.038 56.287 0.248 0.000 0.945 332 K CB 0.108 32.732 32.500 0.206 0.000 0.732 332 K HN 0.898 nan 8.250 nan 0.000 0.451 333 D N 1.173 121.712 120.400 0.231 0.000 2.513 333 D HA 0.033 4.697 4.640 0.040 0.000 0.295 333 D C -0.028 176.413 176.300 0.236 0.000 1.202 333 D CA -0.106 54.019 54.000 0.209 0.000 0.849 333 D CB 1.431 42.333 40.800 0.171 0.000 1.116 333 D HN 0.111 nan 8.370 nan 0.000 0.502 334 E N 0.477 120.828 120.200 0.251 0.000 2.153 334 E HA -0.101 4.272 4.350 0.040 0.000 0.194 334 E C 1.791 178.591 176.600 0.333 0.000 0.988 334 E CA 0.692 57.281 56.400 0.315 0.000 0.811 334 E CB 0.272 30.123 29.700 0.252 0.000 0.746 334 E HN 0.443 nan 8.360 nan 0.000 0.466 335 G N 0.598 109.550 108.800 0.254 0.000 3.159 335 G HA2 -0.060 3.924 3.960 0.040 0.000 0.232 335 G HA3 -0.060 3.924 3.960 0.040 0.000 0.232 335 G C 1.559 176.625 174.900 0.277 0.000 1.116 335 G CA 0.572 45.842 45.100 0.282 0.000 0.767 335 G HN 0.295 nan 8.290 nan 0.000 0.547 336 S N 1.545 117.371 115.700 0.209 0.000 2.353 336 S HA -0.046 4.448 4.470 0.040 0.000 0.222 336 S C 2.564 177.193 174.600 0.048 0.000 1.035 336 S CA 1.573 59.876 58.200 0.172 0.000 1.025 336 S CB -0.613 62.638 63.200 0.085 0.000 0.902 336 S HN 0.499 nan 8.310 nan 0.000 0.440 337 A N 0.247 122.989 122.820 -0.130 0.000 2.067 337 A HA 0.235 4.579 4.320 0.040 0.000 0.219 337 A C 1.789 179.240 177.584 -0.221 0.000 1.158 337 A CA 0.851 52.641 52.037 -0.411 0.000 0.661 337 A CB -0.940 17.613 19.000 -0.745 0.000 0.801 337 A HN 0.567 nan 8.150 nan 0.000 0.452 338 F N -0.172 119.766 119.950 -0.020 0.000 2.456 338 F HA 0.053 4.603 4.527 0.039 0.000 0.298 338 F C 1.876 177.748 175.800 0.121 0.000 1.104 338 F CA 0.665 58.694 58.000 0.047 0.000 1.435 338 F CB -0.194 38.773 39.000 -0.055 0.000 1.078 338 F HN 0.110 nan 8.300 nan 0.000 0.546 339 L N -0.152 121.186 121.223 0.192 0.000 2.141 339 L HA -0.139 4.225 4.340 0.040 0.000 0.209 339 L C 2.338 179.271 176.870 0.105 0.000 1.094 339 L CA 0.916 55.739 54.840 -0.029 0.000 0.763 339 L CB -0.871 40.900 42.059 -0.481 0.000 0.908 339 L HN 0.148 nan 8.230 nan 0.000 0.437 340 V N -4.738 115.309 119.914 0.221 0.000 3.380 340 V HA -0.160 3.984 4.120 0.040 0.000 0.268 340 V C 1.100 177.189 176.094 -0.008 0.000 1.168 340 V CA 0.749 63.170 62.300 0.201 0.000 1.156 340 V CB -1.192 30.789 31.823 0.264 0.000 0.785 340 V HN 0.305 nan 8.190 nan 0.000 0.487 341 Y N 1.704 122.095 120.300 0.153 0.000 2.801 341 Y HA 0.672 5.246 4.550 0.039 0.000 0.340 341 Y C 1.584 177.556 175.900 0.121 0.000 1.088 341 Y CA 0.329 58.497 58.100 0.113 0.000 1.444 341 Y CB 0.537 39.052 38.460 0.091 0.000 1.251 341 Y HN 0.395 nan 8.280 nan 0.000 0.522 342 G N -1.471 107.448 108.800 0.198 0.000 3.302 342 G HA2 -0.159 3.825 3.960 0.040 0.000 0.216 342 G HA3 -0.159 3.825 3.960 0.040 0.000 0.216 342 G C -0.523 174.467 174.900 0.149 0.000 1.008 342 G CA -0.480 44.724 45.100 0.174 0.000 0.852 342 G HN -0.034 nan 8.290 nan 0.000 0.485 343 V N 3.614 123.620 119.914 0.152 0.000 2.439 343 V HA 0.382 4.526 4.120 0.040 0.000 0.271 343 V C -1.768 174.501 176.094 0.292 0.000 1.040 343 V CA -1.245 61.164 62.300 0.180 0.000 1.002 343 V CB 0.805 32.676 31.823 0.080 0.000 1.000 343 V HN 0.154 nan 8.190 nan 0.000 0.477 344 P HA 0.262 nan 4.420 nan 0.000 0.266 344 P C 1.049 178.473 177.300 0.208 0.000 1.195 344 P CA 1.231 64.437 63.100 0.176 0.000 0.768 344 P CB 0.701 32.467 31.700 0.111 0.000 0.838 345 G N 1.009 109.867 108.800 0.096 0.000 2.259 345 G HA2 -0.206 3.778 3.960 0.040 0.000 0.217 345 G HA3 -0.206 3.778 3.960 0.040 0.000 0.217 345 G C -0.233 174.510 174.900 -0.261 0.000 1.001 345 G CA -0.574 44.461 45.100 -0.108 0.000 0.627 345 G HN 0.403 nan 8.290 nan 0.000 0.501 346 F N 1.866 121.838 119.950 0.036 0.000 2.427 346 F HA 0.779 5.329 4.527 0.039 0.000 0.346 346 F C 0.550 176.443 175.800 0.155 0.000 1.120 346 F CA -0.180 57.863 58.000 0.072 0.000 1.033 346 F CB 2.227 41.310 39.000 0.138 0.000 1.126 346 F HN 0.188 nan 8.300 nan 0.000 0.462 347 S N 2.067 117.977 115.700 0.350 0.000 2.564 347 S HA 0.331 4.825 4.470 0.040 0.000 0.274 347 S C 0.390 175.272 174.600 0.470 0.000 1.124 347 S CA -0.866 57.550 58.200 0.360 0.000 0.869 347 S CB 1.465 64.792 63.200 0.211 0.000 1.105 347 S HN 0.749 nan 8.310 nan 0.000 0.472 348 K N 1.261 121.854 120.400 0.321 0.000 2.365 348 K HA 0.110 4.454 4.320 0.040 0.000 0.199 348 K C 0.187 176.818 176.600 0.052 0.000 1.045 348 K CA 1.304 57.680 56.287 0.149 0.000 0.962 348 K CB -0.082 32.276 32.500 -0.236 0.000 0.759 348 K HN 0.439 nan 8.250 nan 0.000 0.469 349 D N 0.732 121.155 120.400 0.037 0.000 2.350 349 D HA 0.003 4.667 4.640 0.040 0.000 0.213 349 D C -0.297 176.038 176.300 0.057 0.000 1.031 349 D CA 0.322 54.316 54.000 -0.010 0.000 0.861 349 D CB 0.047 40.824 40.800 -0.038 0.000 0.926 349 D HN 0.508 nan 8.370 nan 0.000 0.520 350 N N -1.150 117.624 118.700 0.124 0.000 2.697 350 N HA 0.106 4.870 4.740 0.040 0.000 0.272 350 N C 0.298 175.878 175.510 0.117 0.000 1.381 350 N CA -0.590 52.510 53.050 0.083 0.000 0.797 350 N CB 0.909 39.401 38.487 0.009 0.000 1.523 350 N HN -0.370 nan 8.380 nan 0.000 0.518 351 E N -0.413 119.776 120.200 -0.017 0.000 2.478 351 E HA -0.007 4.367 4.350 0.040 0.000 0.198 351 E C -0.481 175.745 176.600 -0.622 0.000 1.046 351 E CA 0.421 56.718 56.400 -0.171 0.000 0.870 351 E CB -0.362 29.281 29.700 -0.094 0.000 0.818 351 E HN 0.603 nan 8.360 nan 0.000 0.527 352 S N 0.322 115.711 115.700 -0.518 0.000 3.706 352 S HA -0.180 4.314 4.470 0.040 0.000 0.363 352 S C 0.184 174.342 174.600 -0.738 0.000 0.999 352 S CA 0.166 57.919 58.200 -0.745 0.000 1.143 352 S CB -1.665 60.856 63.200 -1.131 0.000 0.902 352 S HN 0.301 nan 8.310 nan 0.000 0.476 353 L N 2.033 122.981 121.223 -0.458 0.000 2.407 353 L HA 0.392 4.755 4.340 0.040 0.000 0.282 353 L C 0.868 177.548 176.870 -0.316 0.000 1.110 353 L CA -0.169 54.467 54.840 -0.342 0.000 0.863 353 L CB -0.042 41.886 42.059 -0.217 0.000 1.207 353 L HN 0.455 nan 8.230 nan 0.000 0.454 354 I N 0.220 120.589 120.570 -0.335 0.000 2.797 354 I HA 0.561 4.755 4.170 0.040 0.000 0.310 354 I C 0.705 176.757 176.117 -0.109 0.000 0.990 354 I CA -0.552 60.603 61.300 -0.242 0.000 1.228 354 I CB 1.626 39.480 38.000 -0.244 0.000 1.406 354 I HN 0.530 nan 8.210 nan 0.000 0.534 355 S N 2.975 118.644 115.700 -0.051 0.000 2.669 355 S HA 0.357 4.851 4.470 0.040 0.000 0.270 355 S C 0.936 175.571 174.600 0.058 0.000 1.225 355 S CA -0.577 57.620 58.200 -0.005 0.000 0.991 355 S CB 1.703 64.903 63.200 0.001 0.000 0.987 355 S HN 0.860 nan 8.310 nan 0.000 0.552 356 R N 0.561 121.100 120.500 0.066 0.000 2.083 356 R HA -0.101 4.263 4.340 0.040 0.000 0.237 356 R C 2.423 178.817 176.300 0.156 0.000 1.137 356 R CA 1.731 57.909 56.100 0.131 0.000 0.951 356 R CB -1.220 29.132 30.300 0.087 0.000 0.851 356 R HN 0.845 nan 8.270 nan 0.000 0.434 357 A N 0.628 123.504 122.820 0.094 0.000 1.873 357 A HA -0.281 4.063 4.320 0.040 0.000 0.218 357 A C 2.096 179.731 177.584 0.085 0.000 1.193 357 A CA 1.891 53.972 52.037 0.074 0.000 0.629 357 A CB -0.720 18.309 19.000 0.048 0.000 0.826 357 A HN 0.559 nan 8.150 nan 0.000 0.447 358 Q N -1.966 117.893 119.800 0.098 0.000 2.170 358 Q HA -0.151 4.213 4.340 0.040 0.000 0.203 358 Q C 1.864 177.986 176.000 0.204 0.000 0.976 358 Q CA 1.564 57.440 55.803 0.123 0.000 0.858 358 Q CB -0.293 28.498 28.738 0.089 0.000 0.907 358 Q HN 0.820 nan 8.270 nan 0.000 0.433 359 F N 0.934 120.926 119.950 0.071 0.000 2.084 359 F HA -0.185 4.369 4.527 0.045 0.000 0.296 359 F C 1.728 177.571 175.800 0.072 0.000 1.111 359 F CA 1.000 59.052 58.000 0.086 0.000 1.224 359 F CB 0.054 39.089 39.000 0.059 0.000 0.991 359 F HN -0.048 nan 8.300 nan 0.000 0.471 360 L N 0.391 121.523 121.223 -0.151 0.000 2.079 360 L HA -0.218 4.146 4.340 0.040 0.000 0.210 360 L C 2.786 179.569 176.870 -0.146 0.000 1.081 360 L CA 1.236 55.941 54.840 -0.225 0.000 0.752 360 L CB -1.580 40.440 42.059 -0.066 0.000 0.896 360 L HN 0.282 nan 8.230 nan 0.000 0.433 361 A N 0.516 123.308 122.820 -0.047 0.000 1.968 361 A HA -0.001 4.343 4.320 0.040 0.000 0.217 361 A C 2.407 179.986 177.584 -0.008 0.000 1.169 361 A CA 1.366 53.396 52.037 -0.012 0.000 0.638 361 A CB -0.922 18.095 19.000 0.029 0.000 0.812 361 A HN 0.429 nan 8.150 nan 0.000 0.446 362 G N -0.694 108.110 108.800 0.006 0.000 2.448 362 G HA2 -0.003 3.981 3.960 0.040 0.000 0.218 362 G HA3 -0.003 3.981 3.960 0.040 0.000 0.218 362 G C 1.414 176.286 174.900 -0.046 0.000 1.135 362 G CA 1.061 46.182 45.100 0.035 0.000 0.784 362 G HN 0.278 nan 8.290 nan 0.000 0.543 363 V N 1.141 120.957 119.914 -0.163 0.000 2.358 363 V HA -0.116 4.028 4.120 0.040 0.000 0.246 363 V C 2.880 178.921 176.094 -0.089 0.000 1.047 363 V CA 1.429 63.625 62.300 -0.173 0.000 1.035 363 V CB -0.352 31.279 31.823 -0.320 0.000 0.658 363 V HN 0.219 nan 8.190 nan 0.000 0.452 364 R N -0.177 120.278 120.500 -0.075 0.000 2.193 364 R HA 0.027 4.390 4.340 0.040 0.000 0.229 364 R C 1.904 178.187 176.300 -0.029 0.000 1.110 364 R CA 1.232 57.306 56.100 -0.044 0.000 0.988 364 R CB -0.679 29.601 30.300 -0.034 0.000 0.871 364 R HN 0.497 nan 8.270 nan 0.000 0.458 365 I N -1.113 119.445 120.570 -0.021 0.000 2.927 365 I HA 0.026 4.220 4.170 0.040 0.000 0.268 365 I C 2.189 178.303 176.117 -0.005 0.000 1.153 365 I CA 0.839 62.137 61.300 -0.004 0.000 1.459 365 I CB -0.302 37.712 38.000 0.022 0.000 1.149 365 I HN 0.127 nan 8.210 nan 0.000 0.443 366 G N 0.774 109.565 108.800 -0.014 0.000 2.448 366 G HA2 -0.036 3.948 3.960 0.040 0.000 0.218 366 G HA3 -0.036 3.948 3.960 0.040 0.000 0.218 366 G C 0.838 175.732 174.900 -0.011 0.000 1.135 366 G CA 0.479 45.572 45.100 -0.011 0.000 0.784 366 G HN 0.218 nan 8.290 nan 0.000 0.543 367 V N 1.917 121.806 119.914 -0.043 0.000 2.320 367 V HA 0.227 4.371 4.120 0.040 0.000 0.257 367 V C -1.518 174.557 176.094 -0.032 0.000 0.996 367 V CA -1.171 61.079 62.300 -0.083 0.000 0.928 367 V CB 1.518 33.268 31.823 -0.122 0.000 1.169 367 V HN 0.063 nan 8.190 nan 0.000 0.475 368 P HA -0.170 nan 4.420 nan 0.000 0.222 368 P C 1.175 178.461 177.300 -0.024 0.000 1.147 368 P CA 1.104 64.189 63.100 -0.024 0.000 0.790 368 P CB 0.391 32.068 31.700 -0.038 0.000 0.780 369 Q N -0.446 119.349 119.800 -0.008 0.000 2.320 369 Q HA 0.227 4.591 4.340 0.040 0.000 0.201 369 Q C 0.342 176.332 176.000 -0.017 0.000 0.910 369 Q CA -0.090 55.706 55.803 -0.011 0.000 0.946 369 Q CB -0.232 28.509 28.738 0.007 0.000 1.062 369 Q HN 0.022 nan 8.270 nan 0.000 0.503 370 A N 1.764 124.571 122.820 -0.021 0.000 2.301 370 A HA 0.503 4.847 4.320 0.040 0.000 0.298 370 A C 0.398 177.967 177.584 -0.026 0.000 1.185 370 A CA -0.219 51.803 52.037 -0.025 0.000 0.830 370 A CB 0.593 19.580 19.000 -0.022 0.000 1.112 370 A HN 0.472 nan 8.150 nan 0.000 0.508 371 S N 1.940 117.622 115.700 -0.029 0.000 2.617 371 S HA 0.138 4.631 4.470 0.040 0.000 0.259 371 S C 0.346 174.937 174.600 -0.015 0.000 1.301 371 S CA 0.185 58.370 58.200 -0.025 0.000 0.984 371 S CB 0.311 63.492 63.200 -0.030 0.000 0.954 371 S HN 0.613 nan 8.310 nan 0.000 0.572 372 D N 0.155 120.549 120.400 -0.010 0.000 2.123 372 D HA -0.088 4.576 4.640 0.040 0.000 0.196 372 D C 1.746 178.053 176.300 0.011 0.000 0.992 372 D CA 1.061 55.061 54.000 -0.000 0.000 0.833 372 D CB -0.479 40.322 40.800 0.002 0.000 0.954 372 D HN 0.411 nan 8.370 nan 0.000 0.455 373 L N 0.683 121.912 121.223 0.011 0.000 2.017 373 L HA -0.042 4.322 4.340 0.040 0.000 0.208 373 L C 2.071 178.966 176.870 0.042 0.000 1.073 373 L CA 1.844 56.700 54.840 0.028 0.000 0.745 373 L CB -0.877 41.191 42.059 0.016 0.000 0.894 373 L HN 0.007 nan 8.230 nan 0.000 0.432 374 A N -0.415 122.411 122.820 0.009 0.000 1.908 374 A HA -0.151 4.192 4.320 0.040 0.000 0.218 374 A C 2.431 180.042 177.584 0.045 0.000 1.181 374 A CA 2.027 54.067 52.037 0.004 0.000 0.627 374 A CB -1.211 17.760 19.000 -0.048 0.000 0.818 374 A HN 0.599 nan 8.150 nan 0.000 0.445 375 A N -0.788 122.047 122.820 0.025 0.000 1.929 375 A HA -0.053 4.291 4.320 0.040 0.000 0.216 375 A C 1.940 179.549 177.584 0.041 0.000 1.176 375 A CA 1.937 53.985 52.037 0.017 0.000 0.628 375 A CB -0.409 18.582 19.000 -0.015 0.000 0.816 375 A HN 0.488 nan 8.150 nan 0.000 0.444 376 E N 0.448 120.684 120.200 0.060 0.000 2.058 376 E HA -0.114 4.260 4.350 0.040 0.000 0.194 376 E C 2.100 178.785 176.600 0.142 0.000 0.997 376 E CA 1.633 58.087 56.400 0.090 0.000 0.801 376 E CB -0.517 29.233 29.700 0.083 0.000 0.746 376 E HN 0.473 nan 8.360 nan 0.000 0.450 377 A N -0.073 122.853 122.820 0.176 0.000 1.948 377 A HA -0.190 4.154 4.320 0.040 0.000 0.220 377 A C 2.495 180.202 177.584 0.205 0.000 1.177 377 A CA 1.834 54.026 52.037 0.258 0.000 0.636 377 A CB -0.783 18.479 19.000 0.436 0.000 0.815 377 A HN 0.200 nan 8.150 nan 0.000 0.449 378 V N -0.631 119.409 119.914 0.210 0.000 2.270 378 V HA -0.217 3.927 4.120 0.040 0.000 0.245 378 V C 2.559 178.807 176.094 0.256 0.000 1.043 378 V CA 1.882 64.287 62.300 0.176 0.000 1.014 378 V CB -0.892 31.019 31.823 0.146 0.000 0.645 378 V HN 0.365 nan 8.190 nan 0.000 0.447 379 V N 0.020 120.035 119.914 0.169 0.000 2.287 379 V HA -0.287 3.857 4.120 0.040 0.000 0.248 379 V C 2.349 178.653 176.094 0.350 0.000 1.053 379 V CA 2.166 64.604 62.300 0.230 0.000 1.027 379 V CB -0.572 31.311 31.823 0.099 0.000 0.646 379 V HN 0.445 nan 8.190 nan 0.000 0.447 380 L N -0.784 120.635 121.223 0.326 0.000 2.131 380 L HA -0.208 4.156 4.340 0.040 0.000 0.210 380 L C 2.532 179.624 176.870 0.370 0.000 1.092 380 L CA 2.008 57.128 54.840 0.466 0.000 0.759 380 L CB -0.816 41.436 42.059 0.321 0.000 0.903 380 L HN 0.472 nan 8.230 nan 0.000 0.435 381 H N -0.759 118.337 119.070 0.042 0.000 2.357 381 H HA -0.176 4.406 4.556 0.043 0.000 0.301 381 H C 1.694 176.929 175.328 -0.154 0.000 1.082 381 H CA 1.872 57.795 56.048 -0.207 0.000 1.342 381 H CB 0.077 29.395 29.762 -0.741 0.000 1.389 381 H HN 0.235 nan 8.280 nan 0.000 0.511 382 Y N -0.259 120.083 120.300 0.070 0.000 2.478 382 Y HA 0.159 4.732 4.550 0.039 0.000 0.261 382 Y C 0.754 176.597 175.900 -0.096 0.000 1.127 382 Y CA 0.194 58.332 58.100 0.063 0.000 1.288 382 Y CB 0.284 38.917 38.460 0.288 0.000 1.084 382 Y HN 0.015 nan 8.280 nan 0.000 0.530 383 T N 1.535 116.050 114.554 -0.066 0.000 2.940 383 T HA -0.082 4.292 4.350 0.040 0.000 0.309 383 T C -0.121 174.191 174.700 -0.647 0.000 1.056 383 T CA -0.078 61.705 62.100 -0.528 0.000 1.137 383 T CB 0.321 68.530 68.868 -1.097 0.000 0.976 383 T HN 0.088 nan 8.240 nan 0.000 0.547 384 D N 1.790 121.856 120.400 -0.557 0.000 2.411 384 D HA 0.092 4.755 4.640 0.040 0.000 0.225 384 D C 0.120 176.133 176.300 -0.478 0.000 1.156 384 D CA -0.553 53.191 54.000 -0.427 0.000 0.874 384 D CB 0.434 41.011 40.800 -0.371 0.000 1.034 384 D HN 0.620 nan 8.370 nan 0.000 0.502 385 W N 3.114 124.333 121.300 -0.136 0.000 2.525 385 W HA -0.000 4.682 4.660 0.036 0.000 0.259 385 W C 2.125 178.535 176.519 -0.180 0.000 1.253 385 W CA -0.191 57.078 57.345 -0.126 0.000 1.262 385 W CB 0.022 29.423 29.460 -0.099 0.000 1.122 385 W HN 0.434 nan 8.180 nan 0.000 0.607 386 L N -1.089 120.044 121.223 -0.151 0.000 2.156 386 L HA -0.091 4.272 4.340 0.040 0.000 0.208 386 L C 0.117 176.607 176.870 -0.632 0.000 1.095 386 L CA 1.131 55.728 54.840 -0.404 0.000 0.770 386 L CB -0.224 41.492 42.059 -0.572 0.000 0.914 386 L HN 0.034 nan 8.230 nan 0.000 0.439 387 H N -1.845 117.109 119.070 -0.193 0.000 2.429 387 H HA 0.168 4.730 4.556 0.011 0.000 0.231 387 H C -1.891 173.283 175.328 -0.258 0.000 1.416 387 H CA -1.406 54.515 56.048 -0.212 0.000 1.443 387 H CB 0.252 29.843 29.762 -0.285 0.000 1.591 387 H HN -0.041 nan 8.280 nan 0.000 0.507 388 P HA -0.103 nan 4.420 nan 0.000 0.226 388 P C 0.640 177.841 177.300 -0.165 0.000 1.153 388 P CA 0.993 63.940 63.100 -0.254 0.000 0.777 388 P CB 0.663 32.263 31.700 -0.166 0.000 0.794 389 E N -0.802 119.353 120.200 -0.074 0.000 2.660 389 E HA 0.061 4.435 4.350 0.040 0.000 0.216 389 E C -0.263 176.318 176.600 -0.031 0.000 0.986 389 E CA -0.262 56.112 56.400 -0.043 0.000 1.037 389 E CB -0.006 29.688 29.700 -0.011 0.000 1.041 389 E HN 0.078 nan 8.360 nan 0.000 0.480 390 D N 0.799 121.186 120.400 -0.021 0.000 2.382 390 D HA -0.000 4.664 4.640 0.040 0.000 0.259 390 D C -1.654 174.638 176.300 -0.013 0.000 1.224 390 D CA -1.706 52.300 54.000 0.010 0.000 0.894 390 D CB 1.227 42.079 40.800 0.087 0.000 1.127 390 D HN -0.101 nan 8.370 nan 0.000 0.487 391 P HA -0.128 nan 4.420 nan 0.000 0.216 391 P C 1.163 178.395 177.300 -0.113 0.000 1.153 391 P CA 1.121 64.166 63.100 -0.091 0.000 0.848 391 P CB 0.140 31.777 31.700 -0.106 0.000 0.787 392 T N -1.690 112.804 114.554 -0.101 0.000 2.746 392 T HA -0.187 4.187 4.350 0.040 0.000 0.267 392 T C 1.559 176.169 174.700 -0.150 0.000 1.039 392 T CA 1.666 63.683 62.100 -0.139 0.000 1.142 392 T CB -1.035 67.739 68.868 -0.157 0.000 0.866 392 T HN 0.283 nan 8.240 nan 0.000 0.444 393 H N 0.529 119.530 119.070 -0.115 0.000 2.326 393 H HA 0.146 4.720 4.556 0.029 0.000 0.301 393 H C 2.174 177.387 175.328 -0.192 0.000 1.081 393 H CA 1.089 57.064 56.048 -0.121 0.000 1.334 393 H CB -0.343 29.346 29.762 -0.122 0.000 1.385 393 H HN 0.180 nan 8.280 nan 0.000 0.504 394 L N 0.104 121.250 121.223 -0.129 0.000 2.042 394 L HA -0.194 4.169 4.340 0.040 0.000 0.210 394 L C 2.744 179.502 176.870 -0.187 0.000 1.076 394 L CA 1.186 55.815 54.840 -0.352 0.000 0.749 394 L CB -0.351 41.547 42.059 -0.269 0.000 0.893 394 L HN 0.248 nan 8.230 nan 0.000 0.432 395 R N 0.533 120.990 120.500 -0.072 0.000 2.073 395 R HA -0.185 4.179 4.340 0.040 0.000 0.234 395 R C 1.640 178.025 176.300 0.141 0.000 1.134 395 R CA 2.114 58.246 56.100 0.055 0.000 0.952 395 R CB -0.417 29.786 30.300 -0.163 0.000 0.850 395 R HN 0.346 nan 8.270 nan 0.000 0.433 396 D N 0.133 120.568 120.400 0.058 0.000 2.264 396 D HA -0.059 4.605 4.640 0.040 0.000 0.208 396 D C 1.575 177.952 176.300 0.128 0.000 0.966 396 D CA 1.187 55.254 54.000 0.113 0.000 0.864 396 D CB 0.005 40.837 40.800 0.053 0.000 0.933 396 D HN 0.378 nan 8.370 nan 0.000 0.499 397 A N 0.481 123.335 122.820 0.058 0.000 1.935 397 A HA -0.054 4.290 4.320 0.040 0.000 0.214 397 A C 2.098 179.761 177.584 0.132 0.000 1.178 397 A CA 0.913 53.002 52.037 0.087 0.000 0.640 397 A CB -0.339 18.590 19.000 -0.117 0.000 0.825 397 A HN 0.120 nan 8.150 nan 0.000 0.447 398 M N 0.259 119.970 119.600 0.185 0.000 2.080 398 M HA -0.117 4.387 4.480 0.040 0.000 0.260 398 M C 2.276 178.650 176.300 0.123 0.000 1.068 398 M CA 2.238 57.724 55.300 0.310 0.000 1.109 398 M CB -0.606 32.226 32.600 0.386 0.000 1.342 398 M HN 0.412 nan 8.290 nan 0.000 0.405 399 S N -0.141 115.640 115.700 0.136 0.000 2.359 399 S HA -0.181 4.313 4.470 0.040 0.000 0.222 399 S C 2.110 176.785 174.600 0.125 0.000 1.038 399 S CA 2.094 60.380 58.200 0.144 0.000 1.051 399 S CB -0.892 62.452 63.200 0.239 0.000 0.944 399 S HN 0.672 nan 8.310 nan 0.000 0.433 400 A N 0.984 123.896 122.820 0.154 0.000 1.892 400 A HA -0.077 4.266 4.320 0.040 0.000 0.218 400 A C 2.426 180.052 177.584 0.071 0.000 1.188 400 A CA 2.125 54.277 52.037 0.192 0.000 0.631 400 A CB -1.395 17.821 19.000 0.359 0.000 0.822 400 A HN 0.506 nan 8.150 nan 0.000 0.447 401 V N -0.489 119.326 119.914 -0.164 0.000 2.252 401 V HA -0.298 3.846 4.120 0.040 0.000 0.249 401 V C 2.593 178.617 176.094 -0.117 0.000 1.056 401 V CA 2.306 64.447 62.300 -0.266 0.000 1.022 401 V CB -0.856 30.845 31.823 -0.203 0.000 0.641 401 V HN 0.403 nan 8.190 nan 0.000 0.445 402 V N 0.520 120.392 119.914 -0.070 0.000 2.343 402 V HA -0.166 3.978 4.120 0.040 0.000 0.247 402 V C 2.592 178.582 176.094 -0.174 0.000 1.051 402 V CA 2.179 64.419 62.300 -0.100 0.000 1.036 402 V CB -1.347 30.461 31.823 -0.024 0.000 0.654 402 V HN 0.631 nan 8.190 nan 0.000 0.451 403 G N -0.446 108.319 108.800 -0.058 0.000 2.402 403 G HA2 -0.223 3.761 3.960 0.040 0.000 0.216 403 G HA3 -0.223 3.761 3.960 0.040 0.000 0.216 403 G C 1.231 176.064 174.900 -0.112 0.000 1.162 403 G CA 0.981 46.056 45.100 -0.041 0.000 0.777 403 G HN 0.504 nan 8.290 nan 0.000 0.539 404 D N -0.303 120.042 120.400 -0.091 0.000 2.103 404 D HA -0.064 4.600 4.640 0.040 0.000 0.199 404 D C 2.099 178.091 176.300 -0.514 0.000 0.978 404 D CA 1.136 55.051 54.000 -0.140 0.000 0.829 404 D CB -0.446 40.448 40.800 0.158 0.000 0.981 404 D HN 0.377 nan 8.370 nan 0.000 0.464 405 H N 0.979 119.477 119.070 -0.953 0.000 2.353 405 H HA 0.018 4.597 4.556 0.040 0.000 0.300 405 H C 1.498 176.421 175.328 -0.675 0.000 1.090 405 H CA 1.669 56.965 56.048 -1.253 0.000 1.327 405 H CB 0.068 29.082 29.762 -1.247 0.000 1.383 405 H HN -0.002 nan 8.280 nan 0.000 0.508 406 N N -0.870 117.389 118.700 -0.736 0.000 2.402 406 N HA -0.001 4.763 4.740 0.040 0.000 0.174 406 N C 1.361 176.623 175.510 -0.414 0.000 1.027 406 N CA 1.099 53.663 53.050 -0.809 0.000 0.891 406 N CB 0.954 38.419 38.487 -1.703 0.000 1.016 406 N HN 0.264 nan 8.380 nan 0.000 0.439 407 V N -0.227 119.502 119.914 -0.309 0.000 3.134 407 V HA 0.053 4.197 4.120 0.040 0.000 0.222 407 V C 2.213 178.272 176.094 -0.058 0.000 1.247 407 V CA 0.254 62.511 62.300 -0.073 0.000 1.281 407 V CB -0.133 31.724 31.823 0.057 0.000 1.169 407 V HN -0.159 nan 8.190 nan 0.000 0.512 408 V N 0.068 119.948 119.914 -0.057 0.000 2.295 408 V HA -0.288 3.856 4.120 0.040 0.000 0.246 408 V C 2.490 178.554 176.094 -0.049 0.000 1.049 408 V CA 2.542 64.823 62.300 -0.031 0.000 1.024 408 V CB -0.886 30.948 31.823 0.018 0.000 0.648 408 V HN 0.653 nan 8.190 nan 0.000 0.447 409 c N -0.393 118.168 118.600 -0.065 0.000 2.466 409 c HA 0.026 4.620 4.570 0.040 0.000 0.278 409 c C 0.614 174.675 174.090 -0.049 0.000 1.288 409 c CA 0.828 57.148 56.329 -0.016 0.000 1.722 409 c CB -1.839 40.701 42.510 0.051 0.000 2.017 409 c HN 0.444 nan 8.230 nan 0.000 0.488 410 P HA -0.092 nan 4.420 nan 0.000 0.216 410 P C 1.776 179.018 177.300 -0.098 0.000 1.153 410 P CA 1.414 64.447 63.100 -0.113 0.000 0.858 410 P CB -0.184 31.418 31.700 -0.163 0.000 0.789 411 V N 0.061 119.920 119.914 -0.092 0.000 2.332 411 V HA -0.282 3.862 4.120 0.040 0.000 0.248 411 V C 2.436 178.438 176.094 -0.153 0.000 1.055 411 V CA 2.313 64.544 62.300 -0.116 0.000 1.038 411 V CB -1.665 30.089 31.823 -0.115 0.000 0.651 411 V HN 0.111 nan 8.190 nan 0.000 0.450 412 A N -1.307 121.443 122.820 -0.117 0.000 1.933 412 A HA -0.289 4.055 4.320 0.040 0.000 0.218 412 A C 2.234 179.788 177.584 -0.049 0.000 1.175 412 A CA 2.033 54.013 52.037 -0.095 0.000 0.628 412 A CB -0.473 18.520 19.000 -0.011 0.000 0.814 412 A HN 0.596 nan 8.150 nan 0.000 0.444 413 Q N -1.066 118.713 119.800 -0.035 0.000 2.046 413 Q HA -0.138 4.226 4.340 0.040 0.000 0.200 413 Q C 2.051 178.025 176.000 -0.042 0.000 0.975 413 Q CA 1.454 57.249 55.803 -0.014 0.000 0.836 413 Q CB -0.200 28.531 28.738 -0.011 0.000 0.896 413 Q HN 0.547 nan 8.270 nan 0.000 0.428 414 L N 0.785 121.955 121.223 -0.087 0.000 1.989 414 L HA -0.172 4.192 4.340 0.040 0.000 0.211 414 L C 2.231 179.020 176.870 -0.135 0.000 1.071 414 L CA 2.359 57.129 54.840 -0.117 0.000 0.749 414 L CB -0.945 41.031 42.059 -0.138 0.000 0.890 414 L HN 0.229 nan 8.230 nan 0.000 0.431 415 A N -0.583 122.122 122.820 -0.193 0.000 1.873 415 A HA -0.159 4.185 4.320 0.040 0.000 0.218 415 A C 2.357 179.910 177.584 -0.051 0.000 1.193 415 A CA 1.953 53.819 52.037 -0.286 0.000 0.629 415 A CB -1.712 16.863 19.000 -0.709 0.000 0.826 415 A HN 0.558 nan 8.150 nan 0.000 0.447 416 G N -1.051 107.792 108.800 0.071 0.000 2.418 416 G HA2 -0.216 3.768 3.960 0.040 0.000 0.217 416 G HA3 -0.216 3.768 3.960 0.040 0.000 0.217 416 G C 1.730 176.699 174.900 0.116 0.000 1.158 416 G CA 0.846 46.071 45.100 0.208 0.000 0.771 416 G HN 0.366 nan 8.290 nan 0.000 0.545 417 R N 0.184 120.719 120.500 0.058 0.000 2.073 417 R HA 0.077 4.441 4.340 0.040 0.000 0.234 417 R C 2.729 179.074 176.300 0.075 0.000 1.134 417 R CA 0.723 56.862 56.100 0.066 0.000 0.952 417 R CB -1.131 29.197 30.300 0.047 0.000 0.850 417 R HN 0.415 nan 8.270 nan 0.000 0.433 418 L N 0.130 121.334 121.223 -0.032 0.000 2.042 418 L HA -0.178 4.186 4.340 0.040 0.000 0.210 418 L C 2.625 179.532 176.870 0.062 0.000 1.076 418 L CA 1.543 56.334 54.840 -0.081 0.000 0.749 418 L CB -0.706 41.212 42.059 -0.235 0.000 0.893 418 L HN 0.164 nan 8.230 nan 0.000 0.432 419 A N 0.093 122.962 122.820 0.081 0.000 1.873 419 A HA -0.141 4.203 4.320 0.040 0.000 0.215 419 A C 2.541 180.182 177.584 0.096 0.000 1.186 419 A CA 1.649 53.750 52.037 0.107 0.000 0.616 419 A CB -0.765 18.343 19.000 0.181 0.000 0.823 419 A HN 0.390 nan 8.150 nan 0.000 0.442 420 A N -1.141 121.739 122.820 0.101 0.000 2.024 420 A HA -0.162 4.182 4.320 0.040 0.000 0.220 420 A C 1.824 179.465 177.584 0.095 0.000 1.164 420 A CA 1.692 53.781 52.037 0.086 0.000 0.643 420 A CB -0.340 18.710 19.000 0.083 0.000 0.806 420 A HN 0.623 nan 8.150 nan 0.000 0.451 421 Q N -1.884 118.001 119.800 0.143 0.000 2.201 421 Q HA 0.398 4.762 4.340 0.040 0.000 0.236 421 Q C 0.786 176.890 176.000 0.173 0.000 0.857 421 Q CA 0.382 56.284 55.803 0.164 0.000 1.025 421 Q CB 0.486 29.367 28.738 0.238 0.000 1.124 421 Q HN 0.788 nan 8.270 nan 0.000 0.473 422 G N -0.327 108.550 108.800 0.129 0.000 2.176 422 G HA2 -0.278 3.706 3.960 0.040 0.000 0.232 422 G HA3 -0.278 3.706 3.960 0.040 0.000 0.232 422 G C 0.302 175.271 174.900 0.116 0.000 0.986 422 G CA -0.140 45.021 45.100 0.102 0.000 0.643 422 G HN 0.544 nan 8.290 nan 0.000 0.522 423 A N -0.098 122.810 122.820 0.147 0.000 2.351 423 A HA 0.731 5.075 4.320 0.040 0.000 0.257 423 A C 0.649 178.270 177.584 0.061 0.000 1.087 423 A CA 0.351 52.456 52.037 0.113 0.000 0.798 423 A CB 0.353 19.400 19.000 0.078 0.000 1.033 423 A HN 0.637 nan 8.150 nan 0.000 0.488 424 R N 1.154 121.688 120.500 0.057 0.000 2.202 424 R HA 0.500 4.864 4.340 0.040 0.000 0.334 424 R C -1.416 174.872 176.300 -0.019 0.000 1.036 424 R CA -0.113 55.990 56.100 0.006 0.000 0.878 424 R CB 0.496 30.833 30.300 0.062 0.000 1.067 424 R HN 0.489 nan 8.270 nan 0.000 0.457 425 V N 5.516 125.346 119.914 -0.141 0.000 2.540 425 V HA 0.401 4.545 4.120 0.040 0.000 0.302 425 V C -1.087 174.824 176.094 -0.306 0.000 1.035 425 V CA -0.833 61.401 62.300 -0.109 0.000 0.873 425 V CB 1.576 33.397 31.823 -0.003 0.000 0.992 425 V HN 0.644 nan 8.190 nan 0.000 0.428 426 Y N 2.231 122.487 120.300 -0.074 0.000 2.376 426 Y HA 0.791 5.365 4.550 0.039 0.000 0.340 426 Y C 0.343 176.282 175.900 0.065 0.000 0.965 426 Y CA -0.474 57.560 58.100 -0.110 0.000 1.078 426 Y CB 2.193 40.250 38.460 -0.672 0.000 1.193 426 Y HN 0.787 nan 8.280 nan 0.000 0.452 427 A N 3.153 126.296 122.820 0.539 0.000 2.384 427 A HA 0.903 5.247 4.320 0.040 0.000 0.312 427 A C -1.796 176.202 177.584 0.690 0.000 1.113 427 A CA -0.682 51.599 52.037 0.406 0.000 0.779 427 A CB 1.235 20.294 19.000 0.098 0.000 1.307 427 A HN 0.761 nan 8.150 nan 0.000 0.436 428 Y N -1.178 119.380 120.300 0.430 0.000 2.625 428 Y HA 0.785 5.358 4.550 0.039 0.000 0.338 428 Y C -1.310 174.789 175.900 0.331 0.000 1.123 428 Y CA -1.579 56.734 58.100 0.355 0.000 1.046 428 Y CB 1.264 39.935 38.460 0.352 0.000 1.299 428 Y HN 0.722 nan 8.280 nan 0.000 0.464 429 I N 3.023 123.947 120.570 0.589 0.000 2.478 429 I HA 0.478 4.672 4.170 0.040 0.000 0.287 429 I C -1.950 174.517 176.117 0.583 0.000 1.042 429 I CA -0.973 60.633 61.300 0.510 0.000 1.067 429 I CB 1.120 39.354 38.000 0.390 0.000 1.233 429 I HN 0.717 nan 8.210 nan 0.000 0.431 430 F N 7.265 127.510 119.950 0.491 0.000 2.410 430 F HA 0.438 4.989 4.527 0.040 0.000 0.349 430 F C 0.511 176.474 175.800 0.272 0.000 1.117 430 F CA 0.115 58.340 58.000 0.375 0.000 1.104 430 F CB 1.054 40.292 39.000 0.396 0.000 1.122 430 F HN 0.551 nan 8.300 nan 0.000 0.483 431 E N 2.780 122.890 120.200 -0.150 0.000 2.641 431 E HA -0.021 4.353 4.350 0.040 0.000 0.224 431 E C -0.856 175.662 176.600 -0.137 0.000 0.951 431 E CA -0.175 56.205 56.400 -0.033 0.000 1.102 431 E CB 0.312 30.005 29.700 -0.012 0.000 1.091 431 E HN 0.530 nan 8.360 nan 0.000 0.507 432 H N 1.756 120.520 119.070 -0.510 0.000 2.604 432 H HA 0.221 4.801 4.556 0.039 0.000 0.306 432 H C -0.348 174.975 175.328 -0.008 0.000 1.075 432 H CA -0.375 55.437 56.048 -0.393 0.000 1.357 432 H CB 0.489 29.799 29.762 -0.754 0.000 1.426 432 H HN -0.146 nan 8.280 nan 0.000 0.470 433 R N 4.143 124.332 120.500 -0.519 0.000 2.234 433 R HA 0.439 4.803 4.340 0.040 0.000 0.324 433 R C -0.592 175.440 176.300 -0.446 0.000 1.054 433 R CA -0.566 55.370 56.100 -0.273 0.000 0.912 433 R CB 0.318 30.541 30.300 -0.128 0.000 1.030 433 R HN 0.819 nan 8.270 nan 0.000 0.455 434 A N 3.418 126.287 122.820 0.082 0.000 2.545 434 A HA 0.007 4.351 4.320 0.040 0.000 0.253 434 A C 1.454 179.128 177.584 0.149 0.000 1.074 434 A CA 0.526 52.800 52.037 0.395 0.000 0.760 434 A CB 0.235 19.582 19.000 0.579 0.000 1.005 434 A HN 1.039 nan 8.150 nan 0.000 0.506 435 S N 2.181 117.988 115.700 0.179 0.000 2.423 435 S HA -0.232 4.262 4.470 0.040 0.000 0.238 435 S C 1.459 176.039 174.600 -0.034 0.000 1.028 435 S CA 2.035 60.273 58.200 0.064 0.000 1.000 435 S CB -1.008 62.252 63.200 0.100 0.000 0.797 435 S HN 1.315 nan 8.310 nan 0.000 0.487 436 T N -1.128 113.365 114.554 -0.102 0.000 3.129 436 T HA 0.341 4.715 4.350 0.040 0.000 0.251 436 T C 0.427 175.039 174.700 -0.147 0.000 1.117 436 T CA -0.505 61.473 62.100 -0.204 0.000 1.034 436 T CB -0.483 68.124 68.868 -0.434 0.000 0.968 436 T HN 0.231 nan 8.240 nan 0.000 0.526 437 L N 4.022 125.198 121.223 -0.077 0.000 2.525 437 L HA 0.238 4.602 4.340 0.040 0.000 0.278 437 L C 1.541 178.341 176.870 -0.117 0.000 1.218 437 L CA 0.795 55.578 54.840 -0.094 0.000 0.878 437 L CB 0.798 42.811 42.059 -0.077 0.000 1.127 437 L HN 0.452 nan 8.230 nan 0.000 0.492 438 T N -0.715 113.727 114.554 -0.186 0.000 3.022 438 T HA 0.100 4.474 4.350 0.040 0.000 0.250 438 T C 0.396 175.082 174.700 -0.022 0.000 1.060 438 T CA -0.446 61.546 62.100 -0.180 0.000 1.013 438 T CB -0.310 68.294 68.868 -0.440 0.000 0.982 438 T HN 0.390 nan 8.240 nan 0.000 0.508 439 W N 3.663 124.962 121.300 -0.002 0.000 2.137 439 W HA 0.383 5.066 4.660 0.039 0.000 0.344 439 W C -1.944 174.465 176.519 -0.184 0.000 1.286 439 W CA -2.000 55.312 57.345 -0.055 0.000 1.240 439 W CB 0.138 29.485 29.460 -0.188 0.000 1.141 439 W HN 0.003 nan 8.180 nan 0.000 0.579 440 P HA 0.031 nan 4.420 nan 0.000 0.272 440 P C 0.444 177.629 177.300 -0.193 0.000 1.240 440 P CA -0.072 62.953 63.100 -0.126 0.000 0.791 440 P CB 0.887 32.498 31.700 -0.148 0.000 0.978 441 L N 0.048 121.238 121.223 -0.055 0.000 2.131 441 L HA -0.119 4.245 4.340 0.040 0.000 0.210 441 L C 2.474 179.363 176.870 0.032 0.000 1.092 441 L CA 1.432 56.271 54.840 -0.003 0.000 0.759 441 L CB -0.881 41.211 42.059 0.055 0.000 0.903 441 L HN 0.604 nan 8.230 nan 0.000 0.435 442 W N -1.471 119.865 121.300 0.059 0.000 2.525 442 W HA -0.106 4.577 4.660 0.039 0.000 0.259 442 W C 1.667 178.237 176.519 0.084 0.000 1.253 442 W CA 0.336 57.719 57.345 0.062 0.000 1.262 442 W CB -0.683 28.814 29.460 0.061 0.000 1.122 442 W HN 0.180 nan 8.180 nan 0.000 0.607 443 M N 1.315 120.621 119.600 -0.490 0.000 2.562 443 M HA 0.097 4.601 4.480 0.040 0.000 0.257 443 M C 1.914 178.151 176.300 -0.105 0.000 1.099 443 M CA 1.505 56.537 55.300 -0.446 0.000 1.099 443 M CB -0.572 31.613 32.600 -0.691 0.000 1.427 443 M HN 0.215 nan 8.290 nan 0.000 0.489 444 G N 0.673 109.453 108.800 -0.033 0.000 2.602 444 G HA2 -0.303 3.680 3.960 0.040 0.000 0.310 444 G HA3 -0.303 3.680 3.960 0.040 0.000 0.310 444 G C -0.037 174.882 174.900 0.032 0.000 1.183 444 G CA 0.058 45.177 45.100 0.032 0.000 0.979 444 G HN 0.267 nan 8.290 nan 0.000 0.545 445 V N 3.506 123.482 119.914 0.103 0.000 2.257 445 V HA 0.491 4.634 4.120 0.040 0.000 0.269 445 V C -1.938 174.289 176.094 0.221 0.000 1.040 445 V CA -0.860 61.551 62.300 0.185 0.000 0.813 445 V CB 1.351 33.340 31.823 0.276 0.000 1.065 445 V HN 0.508 nan 8.190 nan 0.000 0.457 446 P HA 0.209 nan 4.420 nan 0.000 0.276 446 P C -0.287 177.237 177.300 0.373 0.000 1.261 446 P CA -0.577 62.636 63.100 0.188 0.000 0.800 446 P CB 0.401 32.065 31.700 -0.059 0.000 1.066 447 H N 0.382 119.561 119.070 0.182 0.000 3.187 447 H HA 0.248 4.827 4.556 0.039 0.000 0.286 447 H C 1.487 176.825 175.328 0.017 0.000 0.944 447 H CA 2.377 58.513 56.048 0.147 0.000 1.429 447 H CB -0.887 28.985 29.762 0.183 0.000 1.483 447 H HN 0.720 nan 8.280 nan 0.000 0.555 448 G N 3.584 112.238 108.800 -0.243 0.000 2.238 448 G HA2 -0.289 3.694 3.960 0.040 0.000 0.217 448 G HA3 -0.289 3.694 3.960 0.040 0.000 0.217 448 G C 0.536 175.311 174.900 -0.207 0.000 0.996 448 G CA 0.200 45.090 45.100 -0.349 0.000 0.632 448 G HN 0.613 nan 8.290 nan 0.000 0.503 449 Y N 1.835 122.247 120.300 0.187 0.000 2.470 449 Y HA 0.251 4.825 4.550 0.040 0.000 0.302 449 Y C 2.302 178.321 175.900 0.198 0.000 1.194 449 Y CA 0.951 59.206 58.100 0.259 0.000 1.271 449 Y CB 0.392 39.035 38.460 0.306 0.000 1.092 449 Y HN 0.496 nan 8.280 nan 0.000 0.513 450 E N 0.110 120.271 120.200 -0.065 0.000 2.307 450 E HA -0.045 4.329 4.350 0.040 0.000 0.195 450 E C 1.610 178.110 176.600 -0.166 0.000 0.975 450 E CA 0.604 56.665 56.400 -0.565 0.000 0.878 450 E CB -0.456 28.451 29.700 -1.321 0.000 0.845 450 E HN 0.527 nan 8.360 nan 0.000 0.488 451 I N 1.886 122.437 120.570 -0.031 0.000 2.127 451 I HA -0.293 3.901 4.170 0.040 0.000 0.241 451 I C 2.676 178.788 176.117 -0.008 0.000 1.075 451 I CA 1.825 63.154 61.300 0.047 0.000 1.334 451 I CB -0.464 37.639 38.000 0.171 0.000 1.040 451 I HN 0.131 nan 8.210 nan 0.000 0.405 452 E N 0.399 120.533 120.200 -0.110 0.000 2.257 452 E HA -0.309 4.065 4.350 0.040 0.000 0.229 452 E C 1.972 178.312 176.600 -0.433 0.000 1.089 452 E CA 2.433 58.650 56.400 -0.304 0.000 0.947 452 E CB -0.169 29.321 29.700 -0.350 0.000 0.808 452 E HN 0.448 nan 8.360 nan 0.000 0.471 453 F N -0.644 119.194 119.950 -0.187 0.000 2.262 453 F HA -0.026 4.525 4.527 0.041 0.000 0.292 453 F C 2.123 177.689 175.800 -0.389 0.000 1.081 453 F CA 0.213 58.045 58.000 -0.280 0.000 1.355 453 F CB -0.122 38.790 39.000 -0.147 0.000 1.069 453 F HN 0.062 nan 8.300 nan 0.000 0.506 454 I N -0.547 119.865 120.570 -0.262 0.000 2.208 454 I HA -0.302 3.892 4.170 0.040 0.000 0.245 454 I C 2.166 178.038 176.117 -0.408 0.000 1.097 454 I CA 1.762 62.741 61.300 -0.536 0.000 1.363 454 I CB -1.532 36.031 38.000 -0.729 0.000 1.051 454 I HN 0.089 nan 8.210 nan 0.000 0.413 455 F N 0.927 120.690 119.950 -0.311 0.000 2.661 455 F HA 0.155 4.705 4.527 0.039 0.000 0.298 455 F C 1.912 177.562 175.800 -0.251 0.000 1.137 455 F CA 1.014 58.874 58.000 -0.235 0.000 1.454 455 F CB -0.259 38.589 39.000 -0.253 0.000 1.103 455 F HN 0.318 nan 8.300 nan 0.000 0.577 456 G N -0.232 108.396 108.800 -0.287 0.000 2.132 456 G HA2 -0.276 3.708 3.960 0.040 0.000 0.228 456 G HA3 -0.276 3.708 3.960 0.040 0.000 0.228 456 G C 0.912 175.173 174.900 -1.065 0.000 1.000 456 G CA 0.251 45.047 45.100 -0.508 0.000 0.693 456 G HN 0.269 nan 8.290 nan 0.000 0.515 457 L N 0.474 121.116 121.223 -0.968 0.000 2.079 457 L HA 0.040 4.404 4.340 0.040 0.000 0.210 457 L C 0.409 176.733 176.870 -0.911 0.000 1.081 457 L CA 2.702 56.931 54.840 -1.019 0.000 0.752 457 L CB -0.991 40.730 42.059 -0.563 0.000 0.896 457 L HN 0.190 nan 8.230 nan 0.000 0.433 458 P HA -0.155 nan 4.420 nan 0.000 0.222 458 P C 1.542 178.606 177.300 -0.392 0.000 1.142 458 P CA 0.970 63.509 63.100 -0.935 0.000 0.788 458 P CB 0.025 31.225 31.700 -0.835 0.000 0.767 459 L N -1.398 119.548 121.223 -0.461 0.000 2.551 459 L HA -0.004 4.360 4.340 0.040 0.000 0.228 459 L C 0.917 177.727 176.870 -0.100 0.000 1.153 459 L CA 1.031 55.728 54.840 -0.240 0.000 0.851 459 L CB -0.952 40.984 42.059 -0.206 0.000 0.959 459 L HN -0.078 nan 8.230 nan 0.000 0.451 460 D N -0.130 120.190 120.400 -0.135 0.000 2.365 460 D HA 0.102 4.766 4.640 0.040 0.000 0.237 460 D C -1.578 174.749 176.300 0.044 0.000 1.190 460 D CA -2.062 51.967 54.000 0.048 0.000 0.867 460 D CB 1.526 42.391 40.800 0.107 0.000 1.050 460 D HN -0.045 nan 8.370 nan 0.000 0.491 461 P HA -0.161 nan 4.420 nan 0.000 0.217 461 P C 1.260 178.581 177.300 0.035 0.000 1.148 461 P CA 1.019 64.143 63.100 0.040 0.000 0.828 461 P CB 0.091 31.809 31.700 0.029 0.000 0.783 462 S N -1.355 114.364 115.700 0.031 0.000 2.515 462 S HA -0.021 4.473 4.470 0.040 0.000 0.231 462 S C 1.584 176.181 174.600 -0.005 0.000 0.987 462 S CA 0.583 58.789 58.200 0.010 0.000 0.936 462 S CB -1.312 61.892 63.200 0.007 0.000 0.766 462 S HN 0.114 nan 8.310 nan 0.000 0.528 463 L N 0.862 122.098 121.223 0.022 0.000 2.592 463 L HA 0.266 4.630 4.340 0.040 0.000 0.227 463 L C 0.420 177.220 176.870 -0.116 0.000 1.127 463 L CA -0.099 54.731 54.840 -0.015 0.000 0.884 463 L CB -0.588 41.531 42.059 0.098 0.000 1.065 463 L HN 0.254 nan 8.230 nan 0.000 0.457 464 N N -1.667 117.008 118.700 -0.041 0.000 2.850 464 N HA -0.224 4.540 4.740 0.040 0.000 0.249 464 N C -0.333 175.124 175.510 -0.090 0.000 1.060 464 N CA 0.729 53.735 53.050 -0.074 0.000 0.825 464 N CB -1.547 36.870 38.487 -0.117 0.000 1.132 464 N HN 0.298 nan 8.380 nan 0.000 0.564 465 Y N 1.588 121.876 120.300 -0.020 0.000 2.457 465 Y HA 0.069 4.643 4.550 0.039 0.000 0.341 465 Y C 1.997 177.922 175.900 0.042 0.000 1.240 465 Y CA 0.489 58.605 58.100 0.026 0.000 1.437 465 Y CB 0.378 38.847 38.460 0.016 0.000 1.328 465 Y HN 0.055 nan 8.280 nan 0.000 0.588 466 T N -2.055 112.644 114.554 0.242 0.000 2.802 466 T HA 0.004 4.378 4.350 0.040 0.000 0.305 466 T C 1.194 175.973 174.700 0.132 0.000 1.053 466 T CA -0.176 62.014 62.100 0.150 0.000 1.058 466 T CB 0.768 69.714 68.868 0.131 0.000 0.988 466 T HN 0.757 nan 8.240 nan 0.000 0.539 467 T N 1.618 116.219 114.554 0.079 0.000 2.665 467 T HA -0.130 4.244 4.350 0.040 0.000 0.268 467 T C 1.837 176.568 174.700 0.052 0.000 1.035 467 T CA 2.025 64.158 62.100 0.054 0.000 1.151 467 T CB -0.527 68.362 68.868 0.033 0.000 0.862 467 T HN 0.793 nan 8.240 nan 0.000 0.438 468 E N 1.060 121.284 120.200 0.042 0.000 2.070 468 E HA -0.163 4.211 4.350 0.040 0.000 0.197 468 E C 2.278 178.904 176.600 0.044 0.000 1.004 468 E CA 1.357 57.763 56.400 0.011 0.000 0.805 468 E CB -0.204 29.477 29.700 -0.033 0.000 0.744 468 E HN 0.577 nan 8.360 nan 0.000 0.451 469 E N -0.022 120.246 120.200 0.113 0.000 2.118 469 E HA -0.239 4.135 4.350 0.040 0.000 0.195 469 E C 2.159 178.882 176.600 0.205 0.000 0.992 469 E CA 0.987 57.541 56.400 0.255 0.000 0.804 469 E CB -0.068 29.922 29.700 0.483 0.000 0.741 469 E HN 0.124 nan 8.360 nan 0.000 0.458 470 R N 0.913 121.471 120.500 0.097 0.000 2.062 470 R HA -0.128 4.236 4.340 0.040 0.000 0.231 470 R C 2.261 178.565 176.300 0.007 0.000 1.136 470 R CA 1.286 57.390 56.100 0.006 0.000 0.948 470 R CB -0.272 30.025 30.300 -0.005 0.000 0.845 470 R HN 0.112 nan 8.270 nan 0.000 0.430 471 I N 0.596 121.186 120.570 0.034 0.000 2.264 471 I HA -0.277 3.917 4.170 0.040 0.000 0.248 471 I C 2.185 178.334 176.117 0.055 0.000 1.111 471 I CA 1.141 62.457 61.300 0.026 0.000 1.382 471 I CB -0.302 37.713 38.000 0.025 0.000 1.060 471 I HN 0.239 nan 8.210 nan 0.000 0.418 472 F N 1.742 121.635 119.950 -0.094 0.000 2.146 472 F HA -0.159 4.392 4.527 0.041 0.000 0.298 472 F C 2.394 178.150 175.800 -0.074 0.000 1.096 472 F CA 1.285 59.209 58.000 -0.127 0.000 1.275 472 F CB -0.562 38.292 39.000 -0.243 0.000 1.008 472 F HN -0.001 nan 8.300 nan 0.000 0.480 473 A N -0.066 122.666 122.820 -0.146 0.000 1.969 473 A HA -0.178 4.166 4.320 0.040 0.000 0.218 473 A C 2.147 179.589 177.584 -0.237 0.000 1.169 473 A CA 1.505 53.399 52.037 -0.239 0.000 0.635 473 A CB -0.757 18.153 19.000 -0.149 0.000 0.810 473 A HN 0.589 nan 8.150 nan 0.000 0.445 474 Q N -0.627 119.077 119.800 -0.160 0.000 2.084 474 Q HA -0.163 4.201 4.340 0.040 0.000 0.202 474 Q C 2.354 178.242 176.000 -0.186 0.000 0.978 474 Q CA 1.483 57.202 55.803 -0.139 0.000 0.844 474 Q CB -0.171 28.516 28.738 -0.084 0.000 0.898 474 Q HN 0.617 nan 8.270 nan 0.000 0.426 475 R N 0.290 120.660 120.500 -0.217 0.000 2.083 475 R HA -0.127 4.236 4.340 0.040 0.000 0.237 475 R C 2.335 178.311 176.300 -0.540 0.000 1.137 475 R CA 1.225 57.107 56.100 -0.363 0.000 0.951 475 R CB -0.347 29.809 30.300 -0.240 0.000 0.851 475 R HN 0.242 nan 8.270 nan 0.000 0.434 476 L N 0.068 121.059 121.223 -0.387 0.000 2.046 476 L HA -0.181 4.183 4.340 0.040 0.000 0.208 476 L C 2.536 179.340 176.870 -0.109 0.000 1.077 476 L CA 1.328 56.036 54.840 -0.220 0.000 0.747 476 L CB -0.297 41.510 42.059 -0.421 0.000 0.896 476 L HN 0.250 nan 8.230 nan 0.000 0.432 477 M N -0.681 118.804 119.600 -0.192 0.000 2.213 477 M HA -0.219 4.285 4.480 0.040 0.000 0.263 477 M C 2.230 178.526 176.300 -0.006 0.000 1.062 477 M CA 1.475 56.705 55.300 -0.117 0.000 1.105 477 M CB -0.184 32.335 32.600 -0.134 0.000 1.385 477 M HN -0.005 nan 8.290 nan 0.000 0.417 478 K N -0.162 120.199 120.400 -0.065 0.000 2.062 478 K HA -0.106 4.238 4.320 0.040 0.000 0.205 478 K C 1.529 178.197 176.600 0.114 0.000 1.051 478 K CA 1.571 57.838 56.287 -0.033 0.000 0.941 478 K CB -0.271 32.150 32.500 -0.132 0.000 0.719 478 K HN 0.217 nan 8.250 nan 0.000 0.440 479 Y N -0.690 119.751 120.300 0.235 0.000 2.114 479 Y HA -0.207 4.367 4.550 0.039 0.000 0.284 479 Y C 2.284 178.319 175.900 0.225 0.000 1.143 479 Y CA 0.993 59.258 58.100 0.274 0.000 1.135 479 Y CB -0.876 37.888 38.460 0.508 0.000 0.980 479 Y HN 0.178 nan 8.280 nan 0.000 0.499 480 W N 0.684 122.069 121.300 0.142 0.000 2.338 480 W HA -0.247 4.437 4.660 0.039 0.000 0.304 480 W C 2.442 178.973 176.519 0.020 0.000 1.212 480 W CA 2.323 59.688 57.345 0.033 0.000 1.264 480 W CB -0.654 28.748 29.460 -0.097 0.000 1.142 480 W HN 0.254 nan 8.180 nan 0.000 0.512 481 T N -2.491 112.178 114.554 0.193 0.000 2.896 481 T HA -0.103 4.271 4.350 0.040 0.000 0.263 481 T C 1.451 176.181 174.700 0.050 0.000 1.050 481 T CA 1.031 63.173 62.100 0.070 0.000 1.140 481 T CB -0.638 68.249 68.868 0.032 0.000 0.877 481 T HN -0.093 nan 8.240 nan 0.000 0.457 482 N N 1.088 119.836 118.700 0.080 0.000 2.104 482 N HA -0.040 4.724 4.740 0.040 0.000 0.190 482 N C 1.378 176.886 175.510 -0.003 0.000 1.024 482 N CA 1.118 54.193 53.050 0.042 0.000 0.853 482 N CB -0.684 37.849 38.487 0.077 0.000 1.008 482 N HN 0.477 nan 8.380 nan 0.000 0.424 483 F N 1.587 121.451 119.950 -0.143 0.000 2.134 483 F HA -0.073 4.478 4.527 0.041 0.000 0.299 483 F C 2.192 177.907 175.800 -0.142 0.000 1.097 483 F CA 1.336 59.200 58.000 -0.227 0.000 1.264 483 F CB -0.440 38.333 39.000 -0.379 0.000 1.001 483 F HN 0.035 nan 8.300 nan 0.000 0.479 484 A N 0.288 123.036 122.820 -0.121 0.000 1.908 484 A HA -0.222 4.122 4.320 0.040 0.000 0.218 484 A C 2.313 179.783 177.584 -0.189 0.000 1.181 484 A CA 1.876 53.812 52.037 -0.168 0.000 0.627 484 A CB -0.813 18.154 19.000 -0.055 0.000 0.818 484 A HN 0.462 nan 8.150 nan 0.000 0.445 485 R N -0.985 119.434 120.500 -0.135 0.000 2.090 485 R HA -0.083 4.281 4.340 0.040 0.000 0.228 485 R C 1.912 178.128 176.300 -0.140 0.000 1.110 485 R CA 2.039 58.075 56.100 -0.105 0.000 0.973 485 R CB -0.060 30.205 30.300 -0.058 0.000 0.869 485 R HN 0.666 nan 8.270 nan 0.000 0.440 486 T N -6.249 108.192 114.554 -0.189 0.000 3.009 486 T HA 0.257 4.631 4.350 0.040 0.000 0.267 486 T C 1.083 175.648 174.700 -0.225 0.000 0.942 486 T CA 0.327 62.330 62.100 -0.162 0.000 0.883 486 T CB 1.152 69.962 68.868 -0.097 0.000 1.192 486 T HN 0.293 nan 8.240 nan 0.000 0.524 487 G N 1.310 109.839 108.800 -0.451 0.000 2.143 487 G HA2 -0.168 3.816 3.960 0.040 0.000 0.249 487 G HA3 -0.168 3.816 3.960 0.040 0.000 0.249 487 G C -0.363 174.425 174.900 -0.186 0.000 0.981 487 G CA 0.230 44.988 45.100 -0.570 0.000 0.665 487 G HN 0.798 nan 8.290 nan 0.000 0.528 488 D N -0.549 119.747 120.400 -0.172 0.000 2.788 488 D HA 0.469 5.133 4.640 0.040 0.000 0.247 488 D C -1.532 174.601 176.300 -0.278 0.000 1.236 488 D CA -1.667 52.189 54.000 -0.239 0.000 0.898 488 D CB 2.185 42.941 40.800 -0.073 0.000 1.401 488 D HN 0.003 nan 8.370 nan 0.000 0.549 489 P HA -0.007 nan 4.420 nan 0.000 0.236 489 P C 0.038 177.331 177.300 -0.012 0.000 1.177 489 P CA 0.054 62.961 63.100 -0.321 0.000 0.773 489 P CB 0.358 31.546 31.700 -0.854 0.000 0.878 490 N N 1.636 120.300 118.700 -0.060 0.000 2.518 490 N HA -0.001 4.763 4.740 0.040 0.000 0.266 490 N C 0.056 175.640 175.510 0.123 0.000 1.196 490 N CA 0.408 53.529 53.050 0.118 0.000 0.947 490 N CB 0.617 39.166 38.487 0.104 0.000 1.098 490 N HN 0.085 nan 8.380 nan 0.000 0.450 491 D N 2.864 123.364 120.400 0.166 0.000 2.344 491 D HA 0.059 4.723 4.640 0.040 0.000 0.253 491 D C -1.316 175.033 176.300 0.081 0.000 1.255 491 D CA -1.364 52.703 54.000 0.112 0.000 0.894 491 D CB 1.179 42.044 40.800 0.108 0.000 1.067 491 D HN 0.333 nan 8.370 nan 0.000 0.492 492 P HA -0.090 nan 4.420 nan 0.000 0.230 492 P C 1.074 178.398 177.300 0.041 0.000 1.158 492 P CA 0.681 63.808 63.100 0.045 0.000 0.769 492 P CB 0.321 32.038 31.700 0.030 0.000 0.807 493 R N 0.742 121.267 120.500 0.041 0.000 2.087 493 R HA 0.023 4.387 4.340 0.040 0.000 0.216 493 R C 1.035 177.358 176.300 0.039 0.000 1.114 493 R CA 0.987 57.108 56.100 0.035 0.000 1.002 493 R CB -1.786 28.532 30.300 0.029 0.000 0.903 493 R HN 0.278 nan 8.270 nan 0.000 0.445 494 D N 0.387 120.815 120.400 0.048 0.000 2.368 494 D HA 0.270 4.934 4.640 0.040 0.000 0.268 494 D C 0.609 176.943 176.300 0.057 0.000 1.298 494 D CA 0.781 54.812 54.000 0.052 0.000 0.938 494 D CB 0.753 41.591 40.800 0.062 0.000 1.101 494 D HN 0.445 nan 8.370 nan 0.000 0.509 495 S N 2.661 118.389 115.700 0.047 0.000 2.685 495 S HA 0.443 4.937 4.470 0.040 0.000 0.240 495 S C 0.776 175.404 174.600 0.047 0.000 0.967 495 S CA -0.216 58.011 58.200 0.046 0.000 1.009 495 S CB -0.375 62.847 63.200 0.037 0.000 0.776 495 S HN 0.690 nan 8.310 nan 0.000 0.467 496 K N 0.316 120.748 120.400 0.054 0.000 2.281 496 K HA 0.851 5.195 4.320 0.040 0.000 0.242 496 K C 0.548 177.189 176.600 0.069 0.000 0.971 496 K CA -0.300 56.019 56.287 0.054 0.000 0.834 496 K CB 0.337 32.865 32.500 0.047 0.000 1.181 496 K HN 0.224 nan 8.250 nan 0.000 0.435 497 S N 1.124 116.863 115.700 0.065 0.000 2.459 497 S HA 0.299 4.793 4.470 0.040 0.000 0.231 497 S C -1.883 172.770 174.600 0.089 0.000 1.353 497 S CA -0.200 58.045 58.200 0.076 0.000 0.988 497 S CB -0.525 62.710 63.200 0.059 0.000 0.860 497 S HN 0.778 nan 8.310 nan 0.000 0.494 498 P HA 0.256 nan 4.420 nan 0.000 0.276 498 P C -0.812 176.552 177.300 0.108 0.000 1.230 498 P CA -0.230 62.913 63.100 0.071 0.000 0.776 498 P CB 0.291 32.015 31.700 0.040 0.000 0.888 499 Q N 1.221 121.093 119.800 0.120 0.000 2.327 499 Q HA 0.078 4.442 4.340 0.040 0.000 0.254 499 Q C -0.465 175.678 176.000 0.239 0.000 0.952 499 Q CA 0.050 55.959 55.803 0.177 0.000 0.884 499 Q CB 0.843 29.676 28.738 0.158 0.000 1.224 499 Q HN 0.556 nan 8.270 nan 0.000 0.422 500 W N 6.751 128.094 121.300 0.072 0.000 2.546 500 W HA 0.220 4.905 4.660 0.042 0.000 0.323 500 W C -2.394 174.253 176.519 0.215 0.000 1.272 500 W CA -2.342 55.057 57.345 0.089 0.000 1.404 500 W CB 0.070 29.520 29.460 -0.017 0.000 1.411 500 W HN 0.386 nan 8.180 nan 0.000 0.480 501 P HA 0.294 nan 4.420 nan 0.000 0.281 501 P C -2.624 174.866 177.300 0.315 0.000 1.249 501 P CA -1.858 61.462 63.100 0.368 0.000 0.810 501 P CB 0.717 32.543 31.700 0.210 0.000 1.008 502 P HA 0.073 nan 4.420 nan 0.000 0.269 502 P C -0.625 176.654 177.300 -0.036 0.000 1.209 502 P CA 0.078 62.965 63.100 -0.355 0.000 0.776 502 P CB 0.055 31.522 31.700 -0.389 0.000 0.876 503 Y N 2.854 123.086 120.300 -0.112 0.000 2.359 503 Y HA 0.366 4.940 4.550 0.039 0.000 0.330 503 Y C 0.430 176.316 175.900 -0.023 0.000 1.143 503 Y CA 0.682 58.789 58.100 0.013 0.000 1.318 503 Y CB 0.363 38.854 38.460 0.052 0.000 1.234 503 Y HN 0.456 nan 8.280 nan 0.000 0.522 504 T N 0.056 114.346 114.554 -0.440 0.000 2.883 504 T HA 0.270 4.644 4.350 0.040 0.000 0.296 504 T C 0.777 175.267 174.700 -0.349 0.000 1.117 504 T CA -0.211 61.747 62.100 -0.237 0.000 1.006 504 T CB 1.186 69.975 68.868 -0.133 0.000 1.191 504 T HN 0.641 nan 8.240 nan 0.000 0.508 505 T N -0.921 113.563 114.554 -0.116 0.000 2.857 505 T HA 0.083 4.456 4.350 0.040 0.000 0.266 505 T C 2.278 176.931 174.700 -0.078 0.000 1.048 505 T CA 0.955 63.017 62.100 -0.063 0.000 1.139 505 T CB -0.858 68.023 68.868 0.022 0.000 0.874 505 T HN 0.879 nan 8.240 nan 0.000 0.455 506 A N 2.041 124.819 122.820 -0.070 0.000 1.845 506 A HA 0.399 4.743 4.320 0.040 0.000 0.215 506 A C 2.753 180.296 177.584 -0.068 0.000 1.195 506 A CA 1.903 53.911 52.037 -0.049 0.000 0.616 506 A CB -1.353 17.627 19.000 -0.033 0.000 0.832 506 A HN 0.736 nan 8.150 nan 0.000 0.443 507 A N -2.367 120.390 122.820 -0.104 0.000 1.984 507 A HA 0.200 4.544 4.320 0.040 0.000 0.214 507 A C 1.057 178.562 177.584 -0.131 0.000 1.173 507 A CA 0.996 52.979 52.037 -0.090 0.000 0.673 507 A CB -0.296 18.664 19.000 -0.067 0.000 0.830 507 A HN 0.593 nan 8.150 nan 0.000 0.453 508 Q N -0.479 119.126 119.800 -0.326 0.000 2.468 508 Q HA -0.217 4.146 4.340 0.040 0.000 0.289 508 Q C -0.758 175.176 176.000 -0.110 0.000 1.299 508 Q CA 0.632 56.133 55.803 -0.504 0.000 0.838 508 Q CB -1.842 26.804 28.738 -0.153 0.000 1.195 508 Q HN 0.841 nan 8.270 nan 0.000 0.456 509 Q N 0.475 120.231 119.800 -0.073 0.000 2.314 509 Q HA 0.432 4.796 4.340 0.040 0.000 0.258 509 Q C -0.370 175.887 176.000 0.428 0.000 0.954 509 Q CA 0.073 55.965 55.803 0.148 0.000 0.890 509 Q CB 0.500 29.287 28.738 0.081 0.000 1.210 509 Q HN 0.340 nan 8.270 nan 0.000 0.410 510 Y N -1.256 119.181 120.300 0.228 0.000 2.644 510 Y HA 0.749 5.322 4.550 0.038 0.000 0.338 510 Y C -1.064 174.874 175.900 0.063 0.000 1.119 510 Y CA -1.571 56.679 58.100 0.251 0.000 1.060 510 Y CB 0.642 39.257 38.460 0.259 0.000 1.294 510 Y HN 0.335 nan 8.280 nan 0.000 0.472 511 V N -0.394 119.496 119.914 -0.041 0.000 2.769 511 V HA 0.811 4.955 4.120 0.040 0.000 0.312 511 V C -0.291 175.723 176.094 -0.133 0.000 1.061 511 V CA -0.602 61.494 62.300 -0.339 0.000 0.931 511 V CB 1.296 32.607 31.823 -0.853 0.000 1.010 511 V HN 1.197 nan 8.190 nan 0.000 0.433 512 S N 4.400 120.015 115.700 -0.141 0.000 2.465 512 S HA 0.662 5.155 4.470 0.040 0.000 0.279 512 S C -0.412 174.157 174.600 -0.052 0.000 1.201 512 S CA -0.627 57.561 58.200 -0.019 0.000 1.053 512 S CB 0.340 63.517 63.200 -0.037 0.000 0.953 512 S HN 0.765 nan 8.310 nan 0.000 0.488 513 L N 4.493 125.739 121.223 0.038 0.000 2.255 513 L HA 0.524 4.888 4.340 0.040 0.000 0.289 513 L C -0.023 176.771 176.870 -0.127 0.000 1.046 513 L CA -0.422 54.461 54.840 0.071 0.000 0.816 513 L CB -0.065 42.134 42.059 0.233 0.000 1.197 513 L HN 0.946 nan 8.230 nan 0.000 0.427 514 N N 2.213 120.769 118.700 -0.240 0.000 3.449 514 N HA 0.291 5.055 4.740 0.040 0.000 0.312 514 N C 0.095 175.058 175.510 -0.911 0.000 1.582 514 N CA -0.939 51.695 53.050 -0.694 0.000 0.850 514 N CB 0.564 38.817 38.487 -0.390 0.000 1.822 514 N HN 0.213 nan 8.380 nan 0.000 0.577 515 L N -0.749 119.951 121.223 -0.872 0.000 2.275 515 L HA 0.100 4.464 4.340 0.040 0.000 0.215 515 L C 0.602 177.280 176.870 -0.320 0.000 1.119 515 L CA 0.898 55.329 54.840 -0.682 0.000 0.790 515 L CB -0.448 41.303 42.059 -0.513 0.000 0.919 515 L HN 0.369 nan 8.230 nan 0.000 0.443 516 K N 0.331 120.588 120.400 -0.239 0.000 2.168 516 K HA 0.258 4.602 4.320 0.040 0.000 0.258 516 K C -2.149 174.402 176.600 -0.082 0.000 1.010 516 K CA -1.928 54.283 56.287 -0.128 0.000 0.929 516 K CB 0.004 32.443 32.500 -0.102 0.000 0.998 516 K HN -0.211 nan 8.250 nan 0.000 0.479 517 P HA -0.061 nan 4.420 nan 0.000 0.270 517 P C -0.318 176.976 177.300 -0.009 0.000 1.221 517 P CA -0.033 63.071 63.100 0.006 0.000 0.788 517 P CB 0.346 32.052 31.700 0.010 0.000 0.904 518 L N 1.065 122.297 121.223 0.015 0.000 2.615 518 L HA -0.065 4.299 4.340 0.040 0.000 0.284 518 L C 1.134 177.958 176.870 -0.077 0.000 1.237 518 L CA 0.820 55.625 54.840 -0.059 0.000 0.905 518 L CB -0.330 41.682 42.059 -0.079 0.000 1.149 518 L HN 0.479 nan 8.230 nan 0.000 0.499 519 E N 3.000 123.131 120.200 -0.116 0.000 2.171 519 E HA 0.385 4.759 4.350 0.040 0.000 0.271 519 E C -1.296 175.202 176.600 -0.170 0.000 0.916 519 E CA -0.811 55.522 56.400 -0.113 0.000 0.774 519 E CB 1.829 31.471 29.700 -0.097 0.000 1.128 519 E HN 0.303 nan 8.360 nan 0.000 0.403 520 V N 5.352 125.181 119.914 -0.142 0.000 2.432 520 V HA 0.361 4.505 4.120 0.040 0.000 0.271 520 V C 0.308 176.265 176.094 -0.229 0.000 1.046 520 V CA -0.214 61.982 62.300 -0.172 0.000 0.945 520 V CB 0.819 32.596 31.823 -0.077 0.000 0.992 520 V HN 0.681 nan 8.190 nan 0.000 0.471 521 R N 3.922 124.157 120.500 -0.442 0.000 2.873 521 R HA 0.747 5.110 4.340 0.040 0.000 0.264 521 R C -0.660 175.414 176.300 -0.376 0.000 1.026 521 R CA -0.995 54.809 56.100 -0.495 0.000 1.002 521 R CB 2.251 32.080 30.300 -0.785 0.000 1.174 521 R HN 0.582 nan 8.270 nan 0.000 0.488 522 R N -0.004 120.459 120.500 -0.062 0.000 2.480 522 R HA 0.448 4.812 4.340 0.040 0.000 0.306 522 R C -0.877 175.606 176.300 0.305 0.000 0.958 522 R CA -0.399 55.779 56.100 0.130 0.000 0.861 522 R CB 2.191 32.525 30.300 0.057 0.000 1.171 522 R HN 0.898 nan 8.270 nan 0.000 0.445 523 G N 2.553 111.584 108.800 0.385 0.000 3.421 523 G HA2 -0.212 3.771 3.960 0.040 0.000 0.656 523 G HA3 -0.212 3.771 3.960 0.040 0.000 0.656 523 G C -1.004 174.072 174.900 0.292 0.000 1.007 523 G CA -0.854 44.419 45.100 0.288 0.000 0.811 523 G HN 0.457 nan 8.290 nan 0.000 0.433 524 L N 4.005 125.281 121.223 0.089 0.000 2.375 524 L HA 0.580 4.943 4.340 0.040 0.000 0.276 524 L C 1.456 178.318 176.870 -0.013 0.000 1.162 524 L CA -0.178 54.532 54.840 -0.218 0.000 0.991 524 L CB -0.490 41.370 42.059 -0.331 0.000 1.315 524 L HN 0.691 nan 8.230 nan 0.000 0.431 525 R N 2.793 123.334 120.500 0.068 0.000 3.264 525 R HA -0.277 4.087 4.340 0.040 0.000 0.251 525 R C 1.248 177.638 176.300 0.150 0.000 0.971 525 R CA 0.529 56.707 56.100 0.129 0.000 0.658 525 R CB -1.863 28.524 30.300 0.145 0.000 1.095 525 R HN 0.787 nan 8.270 nan 0.000 0.443 526 A N 0.633 123.538 122.820 0.142 0.000 1.902 526 A HA -0.214 4.129 4.320 0.040 0.000 0.217 526 A C 2.036 179.709 177.584 0.147 0.000 1.181 526 A CA 1.074 53.195 52.037 0.140 0.000 0.623 526 A CB -0.071 19.005 19.000 0.127 0.000 0.818 526 A HN 0.421 nan 8.150 nan 0.000 0.443 527 Q N -0.500 119.385 119.800 0.142 0.000 2.050 527 Q HA -0.119 4.245 4.340 0.040 0.000 0.202 527 Q C 2.233 178.351 176.000 0.197 0.000 0.980 527 Q CA 2.085 57.976 55.803 0.146 0.000 0.840 527 Q CB -1.161 27.648 28.738 0.118 0.000 0.898 527 Q HN 0.643 nan 8.270 nan 0.000 0.424 528 T N 0.710 115.405 114.554 0.235 0.000 2.746 528 T HA -0.123 4.251 4.350 0.040 0.000 0.267 528 T C 2.070 177.002 174.700 0.387 0.000 1.039 528 T CA 1.300 63.581 62.100 0.302 0.000 1.142 528 T CB -0.274 68.807 68.868 0.355 0.000 0.866 528 T HN 0.329 nan 8.240 nan 0.000 0.444 529 c N 1.587 120.389 118.600 0.336 0.000 2.446 529 c HA 0.250 4.844 4.570 0.040 0.000 0.279 529 c C 3.153 177.403 174.090 0.267 0.000 1.366 529 c CA -0.069 56.466 56.329 0.343 0.000 1.763 529 c CB -1.431 41.214 42.510 0.224 0.000 1.929 529 c HN 0.638 nan 8.230 nan 0.000 0.509 530 A N 0.512 123.455 122.820 0.205 0.000 1.908 530 A HA -0.236 4.108 4.320 0.040 0.000 0.218 530 A C 1.896 179.574 177.584 0.157 0.000 1.181 530 A CA 1.849 53.981 52.037 0.159 0.000 0.627 530 A CB -0.866 18.213 19.000 0.132 0.000 0.818 530 A HN 0.555 nan 8.150 nan 0.000 0.445 531 F N -0.885 119.059 119.950 -0.011 0.000 2.069 531 F HA -0.202 4.350 4.527 0.043 0.000 0.298 531 F C 1.964 177.706 175.800 -0.097 0.000 1.113 531 F CA 1.937 59.846 58.000 -0.153 0.000 1.214 531 F CB -0.514 38.142 39.000 -0.574 0.000 0.978 531 F HN 0.385 nan 8.300 nan 0.000 0.474 532 W N 0.340 121.644 121.300 0.007 0.000 2.436 532 W HA -0.089 4.594 4.660 0.038 0.000 0.284 532 W C 2.038 178.516 176.519 -0.068 0.000 1.225 532 W CA 0.820 58.129 57.345 -0.060 0.000 1.271 532 W CB -0.375 29.166 29.460 0.135 0.000 1.114 532 W HN -0.018 nan 8.180 nan 0.000 0.559 533 N N -0.682 118.135 118.700 0.194 0.000 2.415 533 N HA 0.066 4.830 4.740 0.040 0.000 0.174 533 N C 1.488 177.029 175.510 0.052 0.000 1.048 533 N CA 0.766 53.885 53.050 0.115 0.000 0.895 533 N CB -0.136 38.419 38.487 0.114 0.000 1.036 533 N HN 0.199 nan 8.380 nan 0.000 0.449 534 R N -1.234 119.295 120.500 0.049 0.000 2.164 534 R HA 0.244 4.607 4.340 0.040 0.000 0.198 534 R C 1.371 177.686 176.300 0.025 0.000 1.028 534 R CA 0.090 56.217 56.100 0.044 0.000 1.083 534 R CB -0.098 30.248 30.300 0.078 0.000 1.026 534 R HN 0.039 nan 8.270 nan 0.000 0.514 535 F N 1.435 121.281 119.950 -0.173 0.000 2.147 535 F HA 0.078 4.629 4.527 0.041 0.000 0.291 535 F C 1.958 177.568 175.800 -0.317 0.000 1.093 535 F CA 0.756 58.618 58.000 -0.230 0.000 1.263 535 F CB -0.314 38.547 39.000 -0.233 0.000 1.036 535 F HN -0.143 nan 8.300 nan 0.000 0.481 536 L N 0.979 121.851 121.223 -0.585 0.000 2.043 536 L HA -0.153 4.210 4.340 0.040 0.000 0.212 536 L C -0.858 175.769 176.870 -0.405 0.000 1.075 536 L CA 1.830 56.293 54.840 -0.629 0.000 0.752 536 L CB -1.485 40.201 42.059 -0.621 0.000 0.891 536 L HN 0.041 nan 8.230 nan 0.000 0.432 537 P HA -0.196 nan 4.420 nan 0.000 0.217 537 P C 1.089 178.254 177.300 -0.224 0.000 1.148 537 P CA 1.343 64.337 63.100 -0.178 0.000 0.828 537 P CB -0.081 31.556 31.700 -0.105 0.000 0.783 538 K N -0.737 119.472 120.400 -0.319 0.000 2.283 538 K HA 0.016 4.360 4.320 0.040 0.000 0.202 538 K C 1.846 178.238 176.600 -0.347 0.000 1.048 538 K CA 0.816 56.919 56.287 -0.307 0.000 0.948 538 K CB -0.645 31.670 32.500 -0.309 0.000 0.742 538 K HN 0.303 nan 8.250 nan 0.000 0.458 539 L N 0.774 121.718 121.223 -0.466 0.000 2.551 539 L HA 0.011 4.375 4.340 0.040 0.000 0.228 539 L C 0.876 177.628 176.870 -0.197 0.000 1.153 539 L CA 0.408 55.042 54.840 -0.342 0.000 0.851 539 L CB -0.067 41.767 42.059 -0.376 0.000 0.959 539 L HN 0.023 nan 8.230 nan 0.000 0.451 540 L N 0.000 121.117 121.223 -0.176 0.000 2.949 540 L HA 0.000 4.364 4.340 0.040 0.000 0.249 540 L CA 0.000 54.771 54.840 -0.115 0.000 0.813 540 L CB 0.000 41.999 42.059 -0.100 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502